OMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL4 | C4' | sing | 1.74Å | 1.75Å | |
| CL3 | C5' | sing | 1.74Å | 1.74Å | |
| CL2 | C3' | sing | 1.74Å | 1.74Å | |
| C4' | C5' | doub | 1.39Å | 1.38Å | Aromatic |
| C4' | C3' | sing | 1.38Å | 1.38Å | Aromatic |
| C5' | C6' | sing | 1.38Å | 1.37Å | Aromatic |
| C3' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C6' | C1' | doub | 1.39Å | 1.38Å | Aromatic |
| C2' | C1' | sing | 1.39Å | 1.39Å | Aromatic |
| C1' | C1 | sing | 1.48Å | 1.51Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | CL1 | sing | 1.74Å | 1.73Å | |
| C4 | O1 | sing | 1.36Å | 1.40Å | |
| O1 | C7 | sing | 1.43Å | 1.46Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C2' | H4 | sing | 1.08Å | 1.08Å | |
| C6' | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL4 | C4' | C5' | 119.2° | 119.9° |
| CL4 | C4' | C3' | 120.9° | 119.9° |
| CL3 | C5' | C4' | 119.6° | 119.9° |
| CL3 | C5' | C6' | 119.1° | 120.0° |
| CL2 | C3' | C4' | 120.9° | 120.0° |
| CL2 | C3' | C2' | 120.0° | 119.9° |
| C5' | C4' | C3' | 119.9° | 120.2° |
| C4' | C5' | C6' | 121.3° | 120.1° |
| C4' | C3' | C2' | 119.1° | 120.1° |
| C5' | C6' | C1' | 119.2° | 119.9° |
| C5' | C6' | H5 | 120.4° | 120.1° |
| C3' | C2' | C1' | 120.4° | 119.9° |
| C3' | C2' | H4 | 119.8° | 120.0° |
| C6' | C1' | C2' | 120.1° | 119.9° |
| C6' | C1' | C1 | 118.8° | 120.1° |
| C1' | C6' | H5 | 120.4° | 120.1° |
| C2' | C1' | C1 | 121.1° | 120.0° |
| C1' | C2' | H4 | 119.8° | 120.1° |
| C1' | C1 | C6 | 121.2° | 120.0° |
| C1' | C1 | C2 | 118.4° | 120.1° |
| C6 | C1 | C2 | 120.4° | 119.9° |
| C1 | C6 | C5 | 120.9° | 119.9° |
| C1 | C6 | H3 | 119.6° | 120.0° |
| C1 | C2 | C3 | 118.7° | 120.0° |
| C1 | C2 | H1 | 120.7° | 120.1° |
| C6 | C5 | C4 | 118.2° | 120.1° |
| C6 | C5 | H2 | 120.9° | 120.0° |
| C5 | C6 | H3 | 119.6° | 120.0° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C2 | C3 | CL1 | 119.8° | 120.0° |
| C3 | C2 | H1 | 120.7° | 120.0° |
| C5 | C4 | C3 | 120.7° | 120.1° |
| C5 | C4 | O1 | 120.8° | 120.0° |
| C4 | C5 | H2 | 120.9° | 120.0° |
| C4 | C3 | CL1 | 119.0° | 119.9° |
| C3 | C4 | O1 | 118.6° | 120.0° |
| C4 | O1 | C7 | 120.0° | 117.0° |
| O1 | C7 | H6 | 109.5° | 109.5° |
| O1 | C7 | H7 | 109.5° | 109.4° |
| O1 | C7 | H8 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL4 | C4' | C5' | CL3 | 0.2° | 0.0° |
| CL4 | C4' | C3' | CL2 | 0.3° | 0.0° |
| CL4 | C4' | C5' | C3' | 179.7° | 179.9° |
| CL4 | C4' | C5' | C6' | 179.9° | 179.8° |
| CL4 | C4' | C3' | C2' | 179.9° | 179.9° |
| CL3 | C5' | C4' | C6' | 179.9° | 179.8° |
| CL3 | C5' | C4' | C3' | 179.5° | 179.9° |
| CL3 | C5' | C6' | C1' | 179.2° | 179.7° |
| CL3 | C5' | C6' | H5 | 0.8° | 0.1° |
| CL2 | C3' | C4' | C5' | 179.5° | 180.0° |
| CL2 | C3' | C4' | C2' | 179.6° | 180.0° |
| CL2 | C3' | C2' | C1' | 179.4° | 180.0° |
| CL2 | C3' | C2' | H4 | 0.5° | 0.1° |
| C5' | C4' | C3' | C2' | 0.1° | 0.0° |
| C4' | C5' | C6' | C1' | 0.7° | 0.6° |
| C4' | C5' | C6' | H5 | 179.3° | 179.7° |
| C3' | C4' | C5' | C6' | 0.4° | 0.3° |
| C4' | C3' | C2' | C1' | 0.2° | 0.0° |
| C4' | C3' | C2' | H4 | 179.9° | 180.0° |
| C5' | C6' | C1' | H5 | 180.0° | 179.7° |
| C5' | C6' | C1' | C2' | 0.7° | 0.6° |
| C5' | C6' | C1' | C1 | 179.1° | 179.8° |
| C3' | C2' | C1' | C6' | 0.5° | 0.3° |
| C3' | C2' | C1' | H4 | 180.0° | 180.0° |
| C3' | C2' | C1' | C1 | 178.8° | 180.0° |
| C6' | C1' | C2' | C1 | 178.3° | 179.7° |
| C6' | C1' | C1 | C6 | 18.3° | 0.3° |
| C6' | C1' | C1 | C2 | 159.8° | 180.0° |
| C6' | C1' | C2' | H4 | 179.6° | 179.7° |
| C2' | C1' | C1 | C6 | 163.3° | 180.0° |
| C2' | C1' | C1 | C2 | 18.5° | 0.3° |
| C2' | C1' | C6' | H5 | 179.2° | 179.7° |
| C1' | C1 | C6 | C2 | 178.1° | 179.7° |
| C1' | C1 | C6 | C5 | 178.8° | 179.7° |
| C1' | C1 | C2 | C3 | 178.8° | 179.7° |
| C1' | C1 | C2 | H1 | 1.2° | 0.3° |
| C1' | C1 | C6 | H3 | 1.2° | 0.3° |
| C1 | C1' | C2' | H4 | 1.3° | 0.0° |
| C1 | C1' | C6' | H5 | 0.9° | 0.0° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.7° | 0.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C6 | C1 | C2 | H1 | 179.3° | 180.0° |
| C1 | C6 | C5 | H2 | 179.6° | 179.9° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | CL1 | 178.9° | 180.0° |
| C2 | C1 | C6 | H3 | 179.3° | 179.9° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | O1 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | CL1 | 179.3° | 180.0° |
| C2 | C3 | C4 | O1 | 179.6° | 180.0° |
| C5 | C4 | C3 | O1 | 179.4° | 180.0° |
| C5 | C4 | C3 | CL1 | 179.2° | 180.0° |
| C5 | C4 | O1 | C7 | 8.5° | 0.0° |
| C4 | C5 | C6 | H3 | 179.6° | 180.0° |
| C3 | C4 | O1 | C7 | 172.1° | 180.0° |
| C4 | C3 | C2 | H1 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 179.9° | 179.9° |
| CL1 | C3 | C4 | O1 | 0.3° | 0.0° |
| CL1 | C3 | C2 | H1 | 1.1° | 0.0° |
| O1 | C4 | C5 | H2 | 0.4° | 0.1° |
| C4 | O1 | C7 | H6 | 180.0° | 60.0° |
| C4 | O1 | C7 | H7 | 60.0° | 60.0° |
| C4 | O1 | C7 | H8 | 60.0° | 180.0° |
| O1 | C7 | H6 | H7 | 120.0° | 120.0° |
| O1 | C7 | H6 | H8 | 120.0° | 120.0° |
| O1 | C7 | H7 | H8 | 120.0° | 120.0° |
| H2 | C5 | C6 | H3 | 0.4° | 0.1° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
