FL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR3 | C3' | sing | 1.89Å | 1.89Å | |
| BR5 | C5' | sing | 1.89Å | 1.88Å | |
| O1 | C2 | sing | 1.34Å | 1.39Å | Aromatic |
| O1 | C8A | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.35Å | Aromatic |
| C2 | C1' | sing | 1.47Å | 1.51Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.46Å | Aromatic |
| C3 | C3B | sing | 1.51Å | 1.50Å | |
| C4 | C4A | sing | 1.48Å | 1.48Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4A | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4A | C8A | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.37Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.10Å | |
| C8 | C8A | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | doub | 1.40Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| C2' | H2'1 | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.39Å | 1.40Å | Aromatic |
| C4' | C5' | sing | 1.39Å | 1.39Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.38Å | |
| C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| C6' | H6'1 | sing | 1.08Å | 1.10Å | |
| O4' | H4'O | sing | 0.97Å | 0.95Å | |
| C3B | H3'1 | sing | 1.09Å | 1.12Å | |
| C3B | H3'2 | sing | 1.09Å | 1.11Å | |
| C3B | H3'3 | sing | 1.09Å | 1.11Å | |
| O6 | HO61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR3 | C3' | C2' | 119.3° | 119.9° |
| BR3 | C3' | C4' | 117.9° | 120.0° |
| BR5 | C5' | C4' | 118.1° | 119.9° |
| BR5 | C5' | C6' | 118.8° | 120.0° |
| C2 | O1 | C8A | 119.6° | 122.3° |
| O1 | C2 | C3 | 122.4° | 122.5° |
| O1 | C2 | C1' | 107.4° | 118.8° |
| O1 | C8A | C4A | 122.1° | 119.8° |
| O1 | C8A | C8 | 116.4° | 120.8° |
| C3 | C2 | C1' | 130.1° | 118.7° |
| C2 | C3 | C4 | 121.0° | 119.6° |
| C2 | C3 | C3B | 123.7° | 120.2° |
| C2 | C1' | C2' | 120.5° | 120.1° |
| C2 | C1' | C6' | 120.7° | 120.1° |
| C4 | C3 | C3B | 115.3° | 120.2° |
| C3 | C4 | C4A | 116.1° | 117.3° |
| C3 | C4 | O4 | 122.6° | 121.3° |
| C3 | C3B | H3'1 | 107.1° | 109.4° |
| C3 | C3B | H3'2 | 123.7° | 109.5° |
| C3 | C3B | H3'3 | 107.2° | 109.4° |
| C4A | C4 | O4 | 121.3° | 121.4° |
| C4 | C4A | C5 | 122.0° | 121.3° |
| C4 | C4A | C8A | 118.8° | 118.5° |
| C5 | C4A | C8A | 119.2° | 120.3° |
| C4A | C5 | C6 | 119.6° | 119.5° |
| C4A | C5 | H51 | 120.6° | 120.2° |
| C4A | C8A | C8 | 121.6° | 119.4° |
| C6 | C5 | H51 | 119.8° | 120.3° |
| C5 | C6 | C7 | 119.5° | 120.1° |
| C5 | C6 | O6 | 119.9° | 119.9° |
| C7 | C6 | O6 | 120.6° | 119.9° |
| C6 | C7 | C8 | 121.1° | 120.6° |
| C6 | C7 | H71 | 120.1° | 119.7° |
| C6 | O6 | HO61 | 119.9° | 106.7° |
| C8 | C7 | H71 | 118.8° | 119.7° |
| C7 | C8 | C8A | 119.0° | 120.0° |
| C7 | C8 | H81 | 120.6° | 120.0° |
| C8A | C8 | H81 | 120.4° | 120.0° |
| C2' | C1' | C6' | 118.8° | 119.8° |
| C1' | C2' | C3' | 119.9° | 119.9° |
| C1' | C2' | H2'1 | 120.1° | 120.0° |
| C1' | C6' | C5' | 120.0° | 120.0° |
| C1' | C6' | H6'1 | 120.0° | 120.0° |
| C3' | C2' | H2'1 | 120.0° | 120.1° |
| C2' | C3' | C4' | 122.9° | 120.1° |
| C3' | C4' | C5' | 115.3° | 120.2° |
| C3' | C4' | O4' | 122.5° | 119.9° |
| C5' | C4' | O4' | 122.2° | 119.9° |
| C4' | C5' | C6' | 123.1° | 120.1° |
| C4' | O4' | H4'O | 122.4° | 106.8° |
| C5' | C6' | H6'1 | 120.0° | 120.0° |
| H3'1 | C3B | H3'2 | 107.2° | 109.5° |
| H3'1 | C3B | H3'3 | 102.6° | 109.5° |
| H3'2 | C3B | H3'3 | 107.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR3 | C3' | C2' | C1' | 179.9° | 179.9° |
| BR3 | C3' | C2' | C4' | 180.0° | 179.9° |
| BR3 | C3' | C2' | H2'1 | 0.2° | 0.1° |
| BR3 | C3' | C4' | C5' | 180.0° | 179.9° |
| BR3 | C3' | C4' | O4' | 0.0° | 0.1° |
| BR5 | C5' | C6' | C1' | 179.6° | 179.8° |
| BR5 | C5' | C4' | C3' | 179.6° | 180.0° |
| BR5 | C5' | C4' | C6' | 179.8° | 179.8° |
| BR5 | C5' | C4' | O4' | 0.3° | 0.0° |
| BR5 | C5' | C6' | H6'1 | 0.4° | 0.2° |
| O1 | C2 | C3 | C1' | 179.8° | 180.0° |
| O1 | C2 | C3 | C4 | 0.1° | 0.3° |
| O1 | C2 | C3 | C3B | 179.4° | 180.0° |
| C2 | O1 | C8A | C4A | 0.1° | 0.0° |
| C2 | O1 | C8A | C8 | 179.9° | 179.9° |
| O1 | C2 | C1' | C2' | 54.2° | 127.5° |
| O1 | C2 | C1' | C6' | 125.9° | 52.3° |
| C8A | O1 | C2 | C3 | 0.1° | 0.0° |
| C8A | O1 | C2 | C1' | 179.8° | 180.0° |
| O1 | C8A | C4A | C4 | 0.1° | 0.2° |
| O1 | C8A | C4A | C5 | 179.9° | 180.0° |
| O1 | C8A | C4A | C8 | 179.9° | 179.9° |
| O1 | C8A | C8 | C7 | 180.0° | 180.0° |
| O1 | C8A | C8 | H81 | 0.0° | 0.1° |
| C2 | C3 | C4 | C3B | 179.5° | 179.7° |
| C2 | C3 | C4 | C4A | 0.2° | 0.5° |
| C2 | C3 | C4 | O4 | 179.9° | 179.6° |
| C3 | C2 | C1' | C2' | 125.6° | 52.5° |
| C3 | C2 | C1' | C6' | 54.3° | 127.7° |
| C2 | C3 | C3B | H3'1 | 54.7° | 174.7° |
| C2 | C3 | C3B | H3'2 | 180.0° | 65.3° |
| C2 | C3 | C3B | H3'3 | 54.7° | 54.7° |
| C1' | C2 | C3 | C4 | 179.9° | 179.7° |
| C1' | C2 | C3 | C3B | 0.4° | 0.0° |
| C2 | C1' | C2' | C6' | 179.9° | 179.8° |
| C2 | C1' | C2' | C3' | 180.0° | 180.0° |
| C2 | C1' | C2' | H2'1 | 0.0° | 0.0° |
| C2 | C1' | C6' | C5' | 179.8° | 179.8° |
| C2 | C1' | C6' | H6'1 | 0.2° | 0.2° |
| C3 | C4 | C4A | O4 | 179.9° | 179.8° |
| C3 | C4 | C4A | C5 | 179.8° | 179.8° |
| C3 | C4 | C4A | C8A | 0.2° | 0.5° |
| C4 | C3 | C3B | H3'1 | 124.7° | 5.6° |
| C4 | C3 | C3B | H3'2 | 0.5° | 114.4° |
| C4 | C3 | C3B | H3'3 | 125.8° | 125.6° |
| C3B | C3 | C4 | C4A | 179.3° | 179.8° |
| C3B | C3 | C4 | O4 | 0.6° | 0.1° |
| C3 | C3B | H3'1 | H3'2 | 134.7° | 120.0° |
| C3 | C3B | H3'1 | H3'3 | 112.6° | 119.9° |
| C3 | C3B | H3'2 | H3'3 | 125.3° | 120.0° |
| C4 | C4A | C5 | C8A | 180.0° | 179.8° |
| C4 | C4A | C5 | C6 | 179.9° | 179.7° |
| C4 | C4A | C5 | H51 | 0.1° | 0.2° |
| C4 | C4A | C8A | C8 | 180.0° | 179.7° |
| O4 | C4 | C4A | C5 | 0.1° | 0.1° |
| O4 | C4 | C4A | C8A | 179.9° | 179.7° |
| C4A | C5 | C6 | H51 | 180.0° | 179.9° |
| C4A | C5 | C6 | C7 | 0.1° | 0.0° |
| C4A | C5 | C6 | O6 | 179.9° | 179.9° |
| C5 | C4A | C8A | C8 | 0.0° | 0.1° |
| C8A | C4A | C5 | C6 | 0.1° | 0.0° |
| C8A | C4A | C5 | H51 | 179.9° | 180.0° |
| C4A | C8A | C8 | C7 | 0.1° | 0.1° |
| C4A | C8A | C8 | H81 | 179.9° | 180.0° |
| C5 | C6 | C7 | O6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C7 | H71 | 180.0° | 180.0° |
| C5 | C6 | O6 | HO61 | 180.0° | 90.1° |
| H51 | C5 | C6 | C7 | 179.9° | 180.0° |
| H51 | C5 | C6 | O6 | 0.1° | 0.1° |
| C6 | C7 | C8 | H71 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 0.1° | 0.2° |
| C6 | C7 | C8 | H81 | 180.0° | 180.0° |
| C7 | C6 | O6 | HO61 | 0.0° | 90.0° |
| O6 | C6 | C7 | C8 | 179.9° | 180.0° |
| O6 | C6 | C7 | H71 | 0.1° | 0.1° |
| C7 | C8 | C8A | H81 | 180.0° | 179.8° |
| H71 | C7 | C8 | C8A | 180.0° | 180.0° |
| H71 | C7 | C8 | H81 | 0.0° | 0.1° |
| C1' | C2' | C3' | H2'1 | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.1° | 0.0° |
| C2' | C1' | C6' | C5' | 0.1° | 0.5° |
| C2' | C1' | C6' | H6'1 | 179.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.2° |
| C6' | C1' | C2' | H2'1 | 179.9° | 179.8° |
| C1' | C6' | C5' | C4' | 0.3° | 0.5° |
| C1' | C6' | C5' | H6'1 | 180.0° | 179.5° |
| C2' | C3' | C4' | C5' | 0.0° | 0.0° |
| C2' | C3' | C4' | O4' | 180.0° | 180.0° |
| H2'1 | C2' | C3' | C4' | 179.9° | 180.0° |
| C3' | C4' | C5' | O4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.2° | 0.2° |
| C3' | C4' | O4' | H4'O | 180.0° | 90.0° |
| C4' | C5' | C6' | H6'1 | 179.7° | 180.0° |
| C5' | C4' | O4' | H4'O | 0.0° | 89.9° |
| O4' | C4' | C5' | C6' | 179.8° | 179.7° |
| H3'1 | C3B | H3'2 | H3'3 | 109.5° | 120.0° |
