DHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C1 | O2 | sing | 1.35Å | 14.26Å | |
| C2 | C3 | doub | 1.35Å | 1.30Å | |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C1' | sing | 1.45Å | 1.46Å | |
| C3 | HC3 | sing | 1.10Å | 1.10Å | |
| C1' | C2' | doub | 1.39Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.39Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | C4' | doub | 1.40Å | 1.40Å | Aromatic |
| C3' | O3' | sing | 1.36Å | 1.26Å | |
| C4' | C5' | sing | 1.39Å | 1.41Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.27Å | |
| C5' | C6' | doub | 1.39Å | 1.39Å | Aromatic |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| O4' | H4' | sing | 0.97Å | 0.95Å | |
| O3' | H3' | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.7° | 126.4° |
| O1 | C1 | O2 | 125.6° | 124.9° |
| C2 | C1 | O2 | 99.0° | 108.7° |
| C1 | C2 | C3 | 121.2° | 120.1° |
| C1 | C2 | HC2 | 125.8° | 117.9° |
| C1 | O2 | HO2 | 125.6° | 112.0° |
| C3 | C2 | HC2 | 113.0° | 122.0° |
| C2 | C3 | C1' | 127.4° | 125.3° |
| C2 | C3 | HC3 | 109.8° | 118.6° |
| C1' | C3 | HC3 | 122.8° | 116.1° |
| C3 | C1' | C2' | 121.5° | 120.0° |
| C3 | C1' | C6' | 121.3° | 120.0° |
| C2' | C1' | C6' | 117.1° | 120.0° |
| C1' | C2' | C3' | 122.1° | 120.0° |
| C1' | C2' | H2' | 118.5° | 120.5° |
| C1' | C6' | C5' | 122.4° | 120.0° |
| C1' | C6' | H6' | 118.5° | 120.8° |
| C3' | C2' | H2' | 119.5° | 119.5° |
| C2' | C3' | C4' | 119.6° | 120.0° |
| C2' | C3' | O3' | 119.2° | 119.5° |
| C4' | C3' | O3' | 119.6° | 120.5° |
| C3' | C4' | C5' | 118.5° | 120.0° |
| C3' | C4' | O4' | 124.3° | 120.6° |
| C3' | O3' | H3' | 119.3° | 110.2° |
| C5' | C4' | O4' | 117.1° | 119.5° |
| C4' | C5' | C6' | 119.6° | 120.0° |
| C4' | C5' | H5' | 120.8° | 120.3° |
| C4' | O4' | H4' | 124.3° | 110.2° |
| C6' | C5' | H5' | 119.6° | 119.7° |
| C5' | C6' | H6' | 119.1° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 144.5° | 179.9° |
| O1 | C1 | C2 | C3 | 17.2° | 0.7° |
| O1 | C1 | C2 | HC2 | 162.8° | 180.0° |
| O1 | C1 | O2 | HO2 | 180.0° | 0.0° |
| C1 | C2 | C3 | HC2 | 180.0° | 179.3° |
| C1 | C2 | C3 | C1' | 168.0° | 179.5° |
| C1 | C2 | C3 | HC3 | 12.1° | 0.8° |
| C2 | C1 | O2 | HO2 | 36.4° | 179.9° |
| O2 | C1 | C2 | C3 | 127.4° | 179.4° |
| O2 | C1 | C2 | HC2 | 52.7° | 0.1° |
| C2 | C3 | C1' | HC3 | 180.0° | 178.8° |
| C2 | C3 | C1' | C2' | 178.2° | 160.1° |
| C2 | C3 | C1' | C6' | 2.1° | 20.0° |
| HC2 | C2 | C3 | C1' | 12.0° | 0.2° |
| HC2 | C2 | C3 | HC3 | 168.0° | 178.5° |
| C3 | C1' | C2' | C6' | 176.3° | 179.9° |
| C3 | C1' | C2' | C3' | 179.1° | 179.9° |
| C3 | C1' | C2' | H2' | 0.9° | 0.1° |
| C3 | C1' | C6' | C5' | 174.2° | 179.9° |
| C3 | C1' | C6' | H6' | 5.8° | 0.0° |
| HC3 | C3 | C1' | C2' | 1.8° | 18.7° |
| HC3 | C3 | C1' | C6' | 177.9° | 161.2° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 4.0° | 0.0° |
| C1' | C2' | C3' | O3' | 169.7° | 179.9° |
| C2' | C1' | C6' | C5' | 9.5° | 0.0° |
| C2' | C1' | C6' | H6' | 170.5° | 179.9° |
| C6' | C1' | C2' | C3' | 2.8° | 0.0° |
| C6' | C1' | C2' | H2' | 177.1° | 180.0° |
| C1' | C6' | C5' | C4' | 9.2° | 0.0° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 170.8° | 180.0° |
| C2' | C3' | C4' | O3' | 165.6° | 179.9° |
| C2' | C3' | C4' | C5' | 4.3° | 0.0° |
| C2' | C3' | C4' | O4' | 179.1° | 180.0° |
| C2' | C3' | O3' | H3' | 180.0° | 167.9° |
| H2' | C2' | C3' | C4' | 176.0° | 180.0° |
| H2' | C2' | C3' | O3' | 10.4° | 0.1° |
| C3' | C4' | C5' | O4' | 176.8° | 180.0° |
| C3' | C4' | C5' | C6' | 2.0° | 0.0° |
| C3' | C4' | C5' | H5' | 178.0° | 180.0° |
| C3' | C4' | O4' | H4' | 180.0° | 143.6° |
| C4' | C3' | O3' | H3' | 14.3° | 12.0° |
| O3' | C3' | C4' | C5' | 170.0° | 179.9° |
| O3' | C3' | C4' | O4' | 13.5° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 170.8° | 179.9° |
| C5' | C4' | O4' | H4' | 3.4° | 36.4° |
| O4' | C4' | C5' | C6' | 174.8° | 180.0° |
| O4' | C4' | C5' | H5' | 5.2° | 0.0° |
| H5' | C5' | C6' | H6' | 9.2° | 0.1° |
