DBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | O2 | sing | 1.34Å | 1.36Å | |
| C2 | O1' | sing | 1.43Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C1' | C2' | doub | 1.39Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.40Å | Aromatic |
| C1' | O1' | sing | 1.36Å | 1.33Å | |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | CM2 | sing | 1.51Å | 1.48Å | |
| C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | CM6 | sing | 1.51Å | 1.53Å | |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.11Å | |
| CM2 | HM23 | sing | 1.09Å | 1.12Å | |
| CM6 | HM61 | sing | 1.09Å | 1.12Å | |
| CM6 | HM62 | sing | 1.09Å | 1.12Å | |
| CM6 | HM63 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 118.8° | 120.0° |
| C2 | C1 | O2 | 117.4° | 120.0° |
| C1 | C2 | O1' | 107.8° | 109.5° |
| C1 | C2 | H21 | 112.8° | 109.5° |
| C1 | C2 | H22 | 112.8° | 109.5° |
| O1 | C1 | O2 | 123.7° | 120.0° |
| C1 | O2 | HO2 | 117.4° | 120.0° |
| O1' | C2 | H21 | 112.9° | 109.5° |
| O1' | C2 | H22 | 112.9° | 109.5° |
| C2 | O1' | C1' | 116.5° | 106.8° |
| H21 | C2 | H22 | 97.6° | 109.4° |
| C2' | C1' | C6' | 119.1° | 119.9° |
| C2' | C1' | O1' | 122.4° | 120.0° |
| C1' | C2' | C3' | 121.4° | 120.0° |
| C1' | C2' | CM2 | 122.4° | 120.0° |
| C6' | C1' | O1' | 118.2° | 120.1° |
| C1' | C6' | C5' | 118.8° | 120.0° |
| C1' | C6' | CM6 | 120.2° | 120.0° |
| C3' | C2' | CM2 | 116.1° | 120.0° |
| C2' | C3' | C4' | 119.8° | 120.1° |
| C2' | C3' | H3' | 120.1° | 120.0° |
| C2' | CM2 | HM21 | 122.5° | 109.4° |
| C2' | CM2 | HM22 | 107.6° | 109.5° |
| C2' | CM2 | HM23 | 107.6° | 109.5° |
| C4' | C3' | H3' | 120.2° | 120.0° |
| C3' | C4' | C5' | 118.6° | 120.1° |
| C3' | C4' | H4' | 120.6° | 120.0° |
| C5' | C4' | H4' | 120.8° | 120.0° |
| C4' | C5' | C6' | 122.2° | 120.0° |
| C4' | C5' | H5' | 118.9° | 119.9° |
| C6' | C5' | H5' | 118.9° | 120.0° |
| C5' | C6' | CM6 | 121.0° | 120.0° |
| C6' | CM6 | HM61 | 120.2° | 109.5° |
| C6' | CM6 | HM62 | 108.4° | 109.5° |
| C6' | CM6 | HM63 | 108.4° | 109.5° |
| HM21 | CM2 | HM22 | 107.6° | 109.5° |
| HM21 | CM2 | HM23 | 107.5° | 109.4° |
| HM22 | CM2 | HM23 | 102.2° | 109.5° |
| HM61 | CM6 | HM62 | 108.3° | 109.4° |
| HM61 | CM6 | HM63 | 108.4° | 109.5° |
| HM62 | CM6 | HM63 | 101.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 178.8° | 179.9° |
| C1 | C2 | O1' | H21 | 125.3° | 120.0° |
| C1 | C2 | O1' | H22 | 125.3° | 120.1° |
| C1 | C2 | H21 | H22 | 118.7° | 120.0° |
| C1 | C2 | O1' | C1' | 155.8° | 180.0° |
| C2 | C1 | O2 | HO2 | 180.0° | 180.0° |
| O1 | C1 | C2 | O1' | 170.6° | 0.1° |
| O1 | C1 | C2 | H21 | 64.1° | 120.1° |
| O1 | C1 | C2 | H22 | 45.3° | 120.0° |
| O1 | C1 | O2 | HO2 | 1.1° | 0.1° |
| O2 | C1 | C2 | O1' | 8.3° | 180.0° |
| O2 | C1 | C2 | H21 | 117.0° | 60.0° |
| O2 | C1 | C2 | H22 | 133.6° | 59.9° |
| O1' | C2 | H21 | H22 | 118.8° | 120.0° |
| C2 | O1' | C1' | C2' | 95.5° | 90.5° |
| C2 | O1' | C1' | C6' | 91.8° | 90.0° |
| H21 | C2 | O1' | C1' | 30.5° | 60.0° |
| H22 | C2 | O1' | C1' | 78.9° | 60.0° |
| C2' | C1' | C6' | O1' | 173.0° | 179.5° |
| C1' | C2' | C3' | CM2 | 179.0° | 179.8° |
| C1' | C2' | C3' | C4' | 2.4° | 0.1° |
| C1' | C2' | C3' | H3' | 177.5° | 179.8° |
| C2' | C1' | C6' | C5' | 2.6° | 0.5° |
| C2' | C1' | C6' | CM6 | 177.0° | 179.7° |
| C1' | C2' | CM2 | HM21 | 179.9° | 90.3° |
| C1' | C2' | CM2 | HM22 | 54.7° | 29.7° |
| C1' | C2' | CM2 | HM23 | 54.7° | 149.8° |
| C6' | C1' | C2' | C3' | 4.1° | 0.5° |
| C6' | C1' | C2' | CM2 | 177.0° | 179.7° |
| C1' | C6' | C5' | C4' | 0.5° | 0.3° |
| C1' | C6' | C5' | CM6 | 179.6° | 179.8° |
| C1' | C6' | C5' | H5' | 179.5° | 179.8° |
| C1' | C6' | CM6 | HM61 | 179.9° | 89.7° |
| C1' | C6' | CM6 | HM62 | 54.8° | 30.3° |
| C1' | C6' | CM6 | HM63 | 54.7° | 150.3° |
| O1' | C1' | C2' | C3' | 176.8° | 179.9° |
| O1' | C1' | C2' | CM2 | 4.3° | 0.3° |
| O1' | C1' | C6' | C5' | 175.6° | 180.0° |
| O1' | C1' | C6' | CM6 | 4.0° | 0.2° |
| C2' | C3' | C4' | H3' | 179.9° | 179.9° |
| C2' | C3' | C4' | C5' | 0.8° | 0.1° |
| C2' | C3' | C4' | H4' | 179.2° | 179.9° |
| C3' | C2' | CM2 | HM21 | 1.0° | 89.9° |
| C3' | C2' | CM2 | HM22 | 126.3° | 150.1° |
| C3' | C2' | CM2 | HM23 | 124.2° | 30.0° |
| CM2 | C2' | C3' | C4' | 178.6° | 179.9° |
| CM2 | C2' | C3' | H3' | 1.4° | 0.0° |
| C2' | CM2 | HM21 | HM22 | 125.3° | 120.0° |
| C2' | CM2 | HM21 | HM23 | 125.2° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 113.2° | 120.1° |
| C3' | C4' | C5' | H4' | 179.9° | 179.9° |
| C3' | C4' | C5' | C6' | 2.2° | 0.0° |
| C3' | C4' | C5' | H5' | 177.8° | 179.9° |
| H3' | C3' | C4' | C5' | 179.3° | 180.0° |
| H3' | C3' | C4' | H4' | 0.7° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | CM6 | 179.9° | 180.0° |
| H4' | C4' | C5' | C6' | 177.7° | 180.0° |
| H4' | C4' | C5' | H5' | 2.2° | 0.0° |
| C5' | C6' | CM6 | HM61 | 0.4° | 90.1° |
| C5' | C6' | CM6 | HM62 | 125.6° | 150.0° |
| C5' | C6' | CM6 | HM63 | 124.9° | 29.9° |
| H5' | C5' | C6' | CM6 | 0.1° | 0.0° |
| C6' | CM6 | HM61 | HM62 | 125.2° | 120.0° |
| C6' | CM6 | HM61 | HM63 | 125.3° | 120.1° |
| C6' | CM6 | HM62 | HM63 | 114.0° | 120.1° |
| HM21 | CM2 | HM22 | HM23 | 113.1° | 120.0° |
| HM61 | CM6 | HM62 | HM63 | 114.0° | 120.0° |
