CFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | O1' | sing | 1.43Å | 1.44Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | doub | 1.39Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.39Å | Aromatic |
| C1' | O1' | sing | 1.36Å | 1.36Å | |
| C2' | C3' | sing | 1.38Å | 1.37Å | Aromatic |
| C2' | CL3 | sing | 1.74Å | 1.73Å | |
| C3' | C4' | doub | 1.38Å | 1.37Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.38Å | 1.37Å | Aromatic |
| C4' | CL4 | sing | 1.74Å | 1.73Å | |
| C5' | C6' | doub | 1.38Å | 1.37Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 112.7° | 120.0° |
| C2 | C1 | O2 | 120.6° | 120.0° |
| C1 | C2 | O1' | 112.5° | 109.5° |
| C1 | C2 | H2C1 | 111.1° | 109.5° |
| C1 | C2 | H2C2 | 111.1° | 109.5° |
| O1 | C1 | O2 | 126.7° | 120.0° |
| C1 | O1 | H1 | 112.7° | 120.0° |
| O1' | C2 | H2C1 | 111.1° | 109.5° |
| O1' | C2 | H2C2 | 111.1° | 109.4° |
| C2 | O1' | C1' | 115.4° | 106.8° |
| H2C1 | C2 | H2C2 | 99.3° | 109.5° |
| C2' | C1' | C6' | 117.0° | 120.0° |
| C2' | C1' | O1' | 117.6° | 120.0° |
| C1' | C2' | C3' | 121.9° | 119.9° |
| C1' | C2' | CL3 | 118.8° | 120.1° |
| C6' | C1' | O1' | 125.4° | 120.0° |
| C1' | C6' | C5' | 121.2° | 120.0° |
| C1' | C6' | H6' | 119.4° | 120.1° |
| C3' | C2' | CL3 | 119.3° | 120.0° |
| C2' | C3' | C4' | 119.6° | 120.1° |
| C2' | C3' | H3' | 120.2° | 120.0° |
| C4' | C3' | H3' | 120.2° | 119.9° |
| C3' | C4' | C5' | 119.9° | 120.1° |
| C3' | C4' | CL4 | 120.1° | 120.0° |
| C5' | C4' | CL4 | 120.0° | 119.9° |
| C4' | C5' | C6' | 120.4° | 120.0° |
| C4' | C5' | H5' | 119.8° | 120.0° |
| C6' | C5' | H5' | 119.8° | 120.0° |
| C5' | C6' | H6' | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 178.6° | 180.0° |
| C1 | C2 | O1' | H2C1 | 125.2° | 120.0° |
| C1 | C2 | O1' | H2C2 | 125.3° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 117.0° | 120.0° |
| C1 | C2 | O1' | C1' | 172.1° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| O1 | C1 | C2 | O1' | 63.2° | 180.0° |
| O1 | C1 | C2 | H2C1 | 62.1° | 60.0° |
| O1 | C1 | C2 | H2C2 | 171.6° | 60.0° |
| O2 | C1 | C2 | O1' | 115.6° | 0.0° |
| O2 | C1 | C2 | H2C1 | 119.2° | 120.0° |
| O2 | C1 | C2 | H2C2 | 9.7° | 120.0° |
| O2 | C1 | O1 | H1 | 1.4° | 0.0° |
| O1' | C2 | H2C1 | H2C2 | 117.0° | 120.0° |
| C2 | O1' | C1' | C2' | 170.8° | 179.8° |
| C2 | O1' | C1' | C6' | 9.4° | 0.0° |
| H2C1 | C2 | O1' | C1' | 62.6° | 60.0° |
| H2C2 | C2 | O1' | C1' | 46.9° | 60.0° |
| C2' | C1' | C6' | O1' | 179.8° | 179.8° |
| C1' | C2' | C3' | CL3 | 179.8° | 179.6° |
| C1' | C2' | C3' | C4' | 0.1° | 0.4° |
| C1' | C2' | C3' | H3' | 179.8° | 179.8° |
| C2' | C1' | C6' | C5' | 1.3° | 0.1° |
| C2' | C1' | C6' | H6' | 178.7° | 179.8° |
| C6' | C1' | C2' | C3' | 1.0° | 0.4° |
| C6' | C1' | C2' | CL3 | 179.2° | 180.0° |
| C1' | C6' | C5' | C4' | 0.5° | 0.0° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 179.5° | 180.0° |
| O1' | C1' | C2' | C3' | 179.2° | 179.8° |
| O1' | C1' | C2' | CL3 | 0.6° | 0.2° |
| O1' | C1' | C6' | C5' | 178.9° | 180.0° |
| O1' | C1' | C6' | H6' | 1.1° | 0.0° |
| C2' | C3' | C4' | H3' | 180.0° | 179.8° |
| C2' | C3' | C4' | C5' | 1.0° | 0.2° |
| C2' | C3' | C4' | CL4 | 178.2° | 179.8° |
| CL3 | C2' | C3' | C4' | 179.7° | 180.0° |
| CL3 | C2' | C3' | H3' | 0.3° | 0.2° |
| C3' | C4' | C5' | CL4 | 179.1° | 180.0° |
| C3' | C4' | C5' | C6' | 0.6° | 0.0° |
| C3' | C4' | C5' | H5' | 179.3° | 180.0° |
| H3' | C3' | C4' | C5' | 179.0° | 180.0° |
| H3' | C3' | C4' | CL4 | 1.8° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 179.5° | 180.0° |
| CL4 | C4' | C5' | C6' | 178.5° | 180.0° |
| CL4 | C4' | C5' | H5' | 1.5° | 0.0° |
| H5' | C5' | C6' | H6' | 0.5° | 0.0° |
