OFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C2' | doub | 1.38Å | 1.42Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.41Å | Aromatic |
| C1' | H1' | sing | 1.08Å | 1.10Å | |
| C2' | C3' | sing | 1.39Å | 1.44Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.39Å | 1.45Å | Aromatic |
| C3' | N | sing | 1.40Å | 1.49Å | |
| C4' | C5' | sing | 1.38Å | 1.44Å | Aromatic |
| C4' | C7' | sing | 1.51Å | 1.58Å | |
| C5' | C6' | doub | 1.38Å | 1.41Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C7' | F1 | sing | 1.40Å | 1.36Å | |
| C7' | F2 | sing | 1.40Å | 1.36Å | |
| C7' | F3 | sing | 1.40Å | 1.36Å | |
| N | C5 | sing | 1.39Å | 1.50Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.55Å | |
| C5 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O1 | sing | 1.35Å | 1.26Å | |
| C7 | O2 | doub | 1.21Å | 1.26Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C1' | C6' | 120.5° | 120.1° |
| C2' | C1' | H1' | 119.8° | 120.0° |
| C1' | C2' | C3' | 120.5° | 119.9° |
| C1' | C2' | H2' | 119.0° | 120.0° |
| C6' | C1' | H1' | 119.7° | 119.9° |
| C1' | C6' | C5' | 120.6° | 120.1° |
| C1' | C6' | H6' | 119.6° | 119.9° |
| C3' | C2' | H2' | 120.5° | 120.1° |
| C2' | C3' | C4' | 118.8° | 119.9° |
| C2' | C3' | N | 121.8° | 120.0° |
| C4' | C3' | N | 119.4° | 120.1° |
| C3' | C4' | C5' | 119.3° | 119.9° |
| C3' | C4' | C7' | 120.5° | 120.0° |
| C3' | N | C5 | 127.2° | 120.1° |
| C3' | N | HN1 | 106.0° | 120.0° |
| C5' | C4' | C7' | 120.2° | 120.1° |
| C4' | C5' | C6' | 120.3° | 120.1° |
| C4' | C5' | H5' | 120.7° | 119.9° |
| C4' | C7' | F1 | 110.2° | 109.5° |
| C4' | C7' | F2 | 109.3° | 109.5° |
| C4' | C7' | F3 | 109.8° | 109.5° |
| C6' | C5' | H5' | 119.0° | 120.0° |
| C5' | C6' | H6' | 119.8° | 119.9° |
| F1 | C7' | F2 | 108.7° | 109.5° |
| F1 | C7' | F3 | 109.4° | 109.5° |
| F2 | C7' | F3 | 109.3° | 109.4° |
| C5 | N | HN1 | 106.0° | 119.9° |
| N | C5 | C4 | 119.3° | 120.2° |
| N | C5 | C6 | 122.2° | 120.2° |
| C2 | C1 | C6 | 120.7° | 120.4° |
| C2 | C1 | H1 | 119.5° | 119.8° |
| C1 | C2 | C3 | 120.5° | 120.3° |
| C1 | C2 | H2 | 119.6° | 119.8° |
| C6 | C1 | H1 | 119.8° | 119.8° |
| C1 | C6 | C5 | 120.6° | 120.1° |
| C1 | C6 | H6 | 118.9° | 120.0° |
| C3 | C2 | H2 | 119.8° | 119.8° |
| C2 | C3 | C4 | 120.5° | 119.9° |
| C2 | C3 | H3 | 119.0° | 120.0° |
| C4 | C3 | H3 | 120.5° | 120.1° |
| C3 | C4 | C5 | 119.2° | 119.7° |
| C3 | C4 | C7 | 119.5° | 120.2° |
| C5 | C4 | C7 | 121.3° | 120.2° |
| C4 | C5 | C6 | 118.5° | 119.6° |
| C4 | C7 | O1 | 120.4° | 120.0° |
| C4 | C7 | O2 | 120.4° | 120.0° |
| C5 | C6 | H6 | 120.5° | 119.9° |
| O1 | C7 | O2 | 119.1° | 120.0° |
| C7 | O1 | HO1 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C1' | C6' | H1' | 180.0° | 179.9° |
| C1' | C2' | C3' | H2' | 179.9° | 179.9° |
| C1' | C2' | C3' | C4' | 0.2° | 0.2° |
| C1' | C2' | C3' | N | 179.7° | 180.0° |
| C2' | C1' | C6' | C5' | 0.1° | 0.0° |
| C2' | C1' | C6' | H6' | 179.8° | 179.9° |
| C6' | C1' | C2' | C3' | 0.1° | 0.1° |
| C6' | C1' | C2' | H2' | 179.9° | 180.0° |
| C1' | C6' | C5' | C4' | 0.2° | 0.3° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 179.8° | 180.0° |
| H1' | C1' | C2' | C3' | 179.9° | 180.0° |
| H1' | C1' | C2' | H2' | 0.1° | 0.1° |
| H1' | C1' | C6' | C5' | 179.9° | 180.0° |
| H1' | C1' | C6' | H6' | 0.1° | 0.0° |
| C2' | C3' | C4' | N | 179.4° | 179.8° |
| C2' | C3' | C4' | C5' | 0.1° | 0.5° |
| C2' | C3' | C4' | C7' | 179.6° | 180.0° |
| C2' | C3' | N | C5 | 49.9° | 7.3° |
| C2' | C3' | N | HN1 | 75.3° | 172.7° |
| H2' | C2' | C3' | C4' | 179.8° | 179.7° |
| H2' | C2' | C3' | N | 0.4° | 0.1° |
| C3' | C4' | C5' | C7' | 179.7° | 179.5° |
| C3' | C4' | C5' | C6' | 0.1° | 0.5° |
| C3' | C4' | C5' | H5' | 180.0° | 179.7° |
| C3' | C4' | C7' | F1 | 161.7° | 179.5° |
| C3' | C4' | C7' | F2 | 42.3° | 60.5° |
| C3' | C4' | C7' | F3 | 77.7° | 59.5° |
| C4' | C3' | N | C5 | 130.7° | 172.5° |
| C4' | C3' | N | HN1 | 104.1° | 7.5° |
| N | C3' | C4' | C5' | 179.6° | 179.7° |
| N | C3' | C4' | C7' | 0.2° | 0.2° |
| C3' | N | C5 | HN1 | 125.2° | 180.0° |
| C3' | N | C5 | C4 | 176.9° | 137.6° |
| C3' | N | C5 | C6 | 3.0° | 41.8° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.8° | 179.8° |
| C5' | C4' | C7' | F1 | 18.0° | 0.0° |
| C5' | C4' | C7' | F2 | 137.5° | 120.0° |
| C5' | C4' | C7' | F3 | 102.6° | 120.0° |
| C7' | C4' | C5' | C6' | 179.8° | 180.0° |
| C7' | C4' | C5' | H5' | 0.2° | 0.2° |
| C4' | C7' | F1 | F2 | 119.8° | 120.1° |
| C4' | C7' | F1 | F3 | 120.9° | 120.0° |
| C4' | C7' | F2 | F3 | 120.3° | 120.0° |
| H5' | C5' | C6' | H6' | 0.2° | 0.0° |
| F1 | C7' | F2 | F3 | 119.4° | 120.0° |
| N | C5 | C6 | C1 | 179.9° | 180.0° |
| N | C5 | C4 | C3 | 179.9° | 179.9° |
| N | C5 | C4 | C6 | 179.9° | 179.4° |
| N | C5 | C4 | C7 | 0.2° | 0.3° |
| N | C5 | C6 | H6 | 0.1° | 0.3° |
| HN1 | N | C5 | C4 | 51.6° | 42.4° |
| HN1 | N | C5 | C6 | 128.3° | 138.2° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.3° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C6 | C5 | 180.0° | 179.7° |
| H1 | C1 | C6 | H6 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.2° |
| C2 | C3 | C4 | C7 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C5 | C7 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.5° |
| C3 | C4 | C7 | O1 | 0.1° | 6.1° |
| C3 | C4 | C7 | O2 | 179.9° | 173.8° |
| H3 | C3 | C4 | C5 | 180.0° | 179.7° |
| H3 | C3 | C4 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C5 | C4 | C7 | O1 | 180.0° | 173.6° |
| C5 | C4 | C7 | O2 | 0.0° | 6.4° |
| C7 | C4 | C5 | C6 | 179.9° | 179.7° |
| C4 | C7 | O1 | O2 | 179.9° | 179.9° |
| C4 | C7 | O1 | HO1 | 180.0° | 180.0° |
| O2 | C7 | O1 | HO1 | 0.1° | 0.1° |
