FL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.47Å | 1.49Å | |
| C2 | C21 | doub | 1.36Å | 1.34Å | |
| C2 | O1 | sing | 1.35Å | 1.41Å | |
| C3 | C3A | sing | 1.47Å | 1.45Å | |
| C3 | O3 | doub | 1.22Å | 1.22Å | |
| C3A | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3A | C7A | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.37Å | |
| C7 | C7A | doub | 1.39Å | 1.36Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C7A | O1 | sing | 1.35Å | 1.36Å | |
| C21 | C1' | sing | 1.46Å | 1.48Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | doub | 1.41Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | O2' | sing | 1.36Å | 1.33Å | |
| C3' | C4' | doub | 1.39Å | 1.39Å | Aromatic |
| C3' | BR1 | sing | 1.89Å | 1.87Å | |
| C4' | C5' | sing | 1.39Å | 1.39Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.35Å | |
| C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| C5' | BR2 | sing | 1.89Å | 1.89Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C21 | 128.6° | 126.2° |
| C3 | C2 | O1 | 108.9° | 107.6° |
| C2 | C3 | C3A | 103.5° | 104.6° |
| C2 | C3 | O3 | 126.6° | 127.7° |
| C21 | C2 | O1 | 119.1° | 126.2° |
| C2 | C21 | C1' | 116.1° | 120.0° |
| C2 | C21 | H21 | 117.5° | 120.0° |
| C2 | O1 | C7A | 107.6° | 111.7° |
| C3A | C3 | O3 | 129.9° | 127.7° |
| C3 | C3A | C4 | 133.3° | 133.2° |
| C3 | C3A | C7A | 108.1° | 106.4° |
| C4 | C3A | C7A | 118.6° | 120.5° |
| C3A | C4 | C5 | 119.6° | 119.6° |
| C3A | C4 | O4 | 119.8° | 120.2° |
| C3A | C7A | C7 | 124.2° | 119.0° |
| C3A | C7A | O1 | 111.9° | 109.7° |
| C5 | C4 | O4 | 120.6° | 120.2° |
| C4 | C5 | C6 | 118.8° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.1° |
| C4 | O4 | HO4 | 119.8° | 106.9° |
| C6 | C5 | H5 | 121.1° | 120.0° |
| C5 | C6 | C7 | 124.2° | 120.6° |
| C5 | C6 | O6 | 118.0° | 119.6° |
| C7 | C6 | O6 | 117.9° | 119.7° |
| C6 | C7 | C7A | 114.6° | 120.3° |
| C6 | C7 | H7 | 123.6° | 119.8° |
| C6 | O6 | HO6 | 118.0° | 106.9° |
| C7A | C7 | H7 | 121.7° | 119.8° |
| C7 | C7A | O1 | 123.9° | 131.3° |
| C1' | C21 | H21 | 126.5° | 120.0° |
| C21 | C1' | C2' | 116.9° | 120.1° |
| C21 | C1' | C6' | 123.2° | 120.2° |
| C2' | C1' | C6' | 119.9° | 119.7° |
| C1' | C2' | C3' | 118.8° | 119.7° |
| C1' | C2' | O2' | 117.9° | 120.1° |
| C1' | C6' | C5' | 119.6° | 119.9° |
| C1' | C6' | H6' | 120.6° | 120.1° |
| C3' | C2' | O2' | 123.4° | 120.1° |
| C2' | C3' | C4' | 121.8° | 120.1° |
| C2' | C3' | BR1 | 120.3° | 119.9° |
| C2' | O2' | HO2' | 117.8° | 106.8° |
| C4' | C3' | BR1 | 117.9° | 120.0° |
| C3' | C4' | C5' | 117.7° | 120.3° |
| C3' | C4' | O4' | 118.6° | 119.8° |
| C5' | C4' | O4' | 123.7° | 119.8° |
| C4' | C5' | C6' | 122.3° | 120.3° |
| C4' | C5' | BR2 | 118.3° | 119.9° |
| C4' | O4' | HO4' | 118.7° | 106.8° |
| C6' | C5' | BR2 | 119.5° | 119.8° |
| C5' | C6' | H6' | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C21 | O1 | 156.8° | 180.0° |
| C2 | C3 | C3A | O3 | 179.9° | 180.0° |
| C2 | C3 | C3A | C4 | 179.6° | 179.9° |
| C2 | C3 | C3A | C7A | 0.0° | 0.0° |
| C3 | C2 | O1 | C7A | 0.3° | 0.0° |
| C3 | C2 | C21 | C1' | 161.1° | 172.7° |
| C3 | C2 | C21 | H21 | 18.9° | 7.3° |
| C21 | C2 | C3 | C3A | 158.5° | 180.0° |
| C21 | C2 | C3 | O3 | 21.4° | 0.0° |
| C21 | C2 | O1 | C7A | 160.8° | 179.9° |
| C2 | C21 | C1' | H21 | 180.0° | 180.0° |
| C2 | C21 | C1' | C2' | 131.4° | 163.3° |
| C2 | C21 | C1' | C6' | 48.0° | 17.0° |
| O1 | C2 | C3 | C3A | 0.1° | 0.0° |
| O1 | C2 | C3 | O3 | 180.0° | 180.0° |
| C2 | O1 | C7A | C3A | 0.3° | 0.1° |
| C2 | O1 | C7A | C7 | 179.8° | 179.7° |
| O1 | C2 | C21 | C1' | 4.3° | 7.3° |
| O1 | C2 | C21 | H21 | 175.7° | 172.7° |
| C3 | C3A | C4 | C7A | 179.6° | 179.9° |
| C3 | C3A | C4 | C5 | 179.7° | 180.0° |
| C3 | C3A | C4 | O4 | 0.0° | 0.1° |
| C3 | C3A | C7A | C7 | 179.9° | 179.8° |
| C3 | C3A | C7A | O1 | 0.2° | 0.0° |
| O3 | C3 | C3A | C4 | 0.5° | 0.1° |
| O3 | C3 | C3A | C7A | 179.8° | 180.0° |
| C3A | C4 | C5 | O4 | 179.7° | 179.9° |
| C3A | C4 | C5 | C6 | 1.0° | 0.0° |
| C3A | C4 | C5 | H5 | 179.1° | 179.9° |
| C4 | C3A | C7A | C7 | 0.4° | 0.3° |
| C4 | C3A | C7A | O1 | 179.5° | 180.0° |
| C3A | C4 | O4 | HO4 | 180.0° | 89.9° |
| C7A | C3A | C4 | C5 | 0.1° | 0.1° |
| C7A | C3A | C4 | O4 | 179.7° | 180.0° |
| C3A | C7A | C7 | C6 | 0.4° | 0.5° |
| C3A | C7A | C7 | O1 | 179.9° | 179.7° |
| C3A | C7A | C7 | H7 | 179.6° | 179.7° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 2.0° | 0.2° |
| C4 | C5 | C6 | O6 | 179.6° | 180.0° |
| C5 | C4 | O4 | HO4 | 0.3° | 90.0° |
| O4 | C4 | C5 | C6 | 179.2° | 179.9° |
| O4 | C4 | C5 | H5 | 0.7° | 0.1° |
| C5 | C6 | C7 | O6 | 178.4° | 179.7° |
| C5 | C6 | C7 | C7A | 1.6° | 0.5° |
| C5 | C6 | C7 | H7 | 178.4° | 179.7° |
| C5 | C6 | O6 | HO6 | 179.9° | 90.0° |
| H5 | C5 | C6 | C7 | 178.1° | 179.7° |
| H5 | C5 | C6 | O6 | 0.3° | 0.0° |
| C6 | C7 | C7A | H7 | 180.0° | 179.8° |
| C6 | C7 | C7A | O1 | 179.7° | 179.8° |
| C7 | C6 | O6 | HO6 | 1.6° | 90.3° |
| O6 | C6 | C7 | C7A | 180.0° | 179.8° |
| O6 | C6 | C7 | H7 | 0.0° | 0.0° |
| H7 | C7 | C7A | O1 | 0.3° | 0.0° |
| C21 | C1' | C2' | C6' | 179.4° | 179.7° |
| C21 | C1' | C2' | C3' | 180.0° | 179.8° |
| C21 | C1' | C2' | O2' | 0.2° | 0.3° |
| C21 | C1' | C6' | C5' | 179.6° | 180.0° |
| C21 | C1' | C6' | H6' | 0.4° | 0.1° |
| H21 | C21 | C1' | C2' | 48.6° | 16.7° |
| H21 | C21 | C1' | C6' | 132.0° | 163.0° |
| C1' | C2' | C3' | O2' | 179.7° | 179.5° |
| C1' | C2' | C3' | C4' | 0.3° | 0.5° |
| C1' | C2' | C3' | BR1 | 179.7° | 179.8° |
| C2' | C1' | C6' | C5' | 1.0° | 0.3° |
| C2' | C1' | C6' | H6' | 179.0° | 179.8° |
| C1' | C2' | O2' | HO2' | 180.0° | 90.5° |
| C6' | C1' | C2' | C3' | 0.6° | 0.5° |
| C6' | C1' | C2' | O2' | 179.7° | 180.0° |
| C1' | C6' | C5' | C4' | 0.5° | 0.1° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | BR2 | 179.4° | 180.0° |
| C2' | C3' | C4' | BR1 | 179.4° | 179.7° |
| C2' | C3' | C4' | C5' | 0.8° | 0.4° |
| C2' | C3' | C4' | O4' | 179.7° | 179.7° |
| C3' | C2' | O2' | HO2' | 0.3° | 90.0° |
| O2' | C2' | C3' | C4' | 179.4° | 179.9° |
| O2' | C2' | C3' | BR1 | 0.0° | 0.3° |
| C3' | C4' | C5' | O4' | 178.8° | 179.9° |
| C3' | C4' | C5' | C6' | 0.4° | 0.2° |
| C3' | C4' | C5' | BR2 | 179.7° | 180.0° |
| C3' | C4' | O4' | HO4' | 180.0° | 90.0° |
| BR1 | C3' | C4' | C5' | 179.8° | 180.0° |
| BR1 | C3' | C4' | O4' | 0.8° | 0.1° |
| C4' | C5' | C6' | BR2 | 179.9° | 179.8° |
| C4' | C5' | C6' | H6' | 179.5° | 180.0° |
| C5' | C4' | O4' | HO4' | 1.2° | 90.1° |
| O4' | C4' | C5' | C6' | 179.3° | 179.9° |
| O4' | C4' | C5' | BR2 | 0.9° | 0.1° |
| BR2 | C5' | C6' | H6' | 0.7° | 0.1° |
