FLN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C8A | sing | 1.35Å | 1.39Å | Aromatic |
O1 | C2 | sing | 1.34Å | 1.39Å | Aromatic |
C8A | C4A | sing | 1.40Å | 1.40Å | Aromatic |
C8A | C8 | doub | 1.39Å | 1.39Å | Aromatic |
C4A | C4 | sing | 1.48Å | 1.49Å | Aromatic |
C4A | C5 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | C3 | sing | 1.41Å | 1.46Å | Aromatic |
C4 | O4 | doub | 1.22Å | 1.24Å | |
C3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C2 | C1' | sing | 1.48Å | 1.50Å | Aromatic |
C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
C2' | H2' | sing | 1.08Å | 1.08Å | |
C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.08Å | |
C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
C4' | H4' | sing | 1.08Å | 1.08Å | |
C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.08Å | |
C6' | H6' | sing | 1.08Å | 1.08Å | |
C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8A | O1 | C2 | 120.1° | 122.3° |
O1 | C8A | C4A | 122.0° | 119.8° |
O1 | C8A | C8 | 116.4° | 120.9° |
O1 | C2 | C3 | 122.3° | 122.6° |
O1 | C2 | C1' | 106.2° | 118.7° |
C4A | C8A | C8 | 121.7° | 119.3° |
C8A | C4A | C4 | 118.7° | 118.5° |
C8A | C4A | C5 | 119.0° | 120.2° |
C8A | C8 | C7 | 119.0° | 120.0° |
C8A | C8 | H8 | 120.5° | 120.0° |
C4 | C4A | C5 | 122.3° | 121.4° |
C4A | C4 | C3 | 116.3° | 117.3° |
C4A | C4 | O4 | 121.2° | 121.3° |
C4A | C5 | C6 | 119.8° | 119.6° |
C4A | C5 | H5 | 120.1° | 120.2° |
C3 | C4 | O4 | 122.4° | 121.4° |
C4 | C3 | C2 | 120.7° | 119.5° |
C4 | C3 | H3 | 119.7° | 120.2° |
C2 | C3 | H3 | 119.6° | 120.2° |
C3 | C2 | C1' | 131.5° | 118.7° |
C2 | C1' | C2' | 120.6° | 120.2° |
C2 | C1' | C6' | 120.5° | 120.1° |
C2' | C1' | C6' | 118.9° | 119.7° |
C1' | C2' | C3' | 119.8° | 119.9° |
C1' | C2' | H2' | 120.1° | 120.0° |
C1' | C6' | C5' | 120.1° | 119.9° |
C1' | C6' | H6' | 119.9° | 120.1° |
C3' | C2' | H2' | 120.1° | 120.1° |
C2' | C3' | C4' | 122.8° | 120.1° |
C2' | C3' | H3' | 118.6° | 119.9° |
C4' | C3' | H3' | 118.6° | 119.9° |
C3' | C4' | C5' | 115.4° | 120.3° |
C3' | C4' | H4' | 122.3° | 119.8° |
C5' | C4' | H4' | 122.3° | 119.9° |
C4' | C5' | C6' | 123.1° | 120.2° |
C4' | C5' | H5' | 118.5° | 119.9° |
C6' | C5' | H5' | 118.4° | 119.9° |
C5' | C6' | H6' | 120.0° | 120.1° |
C6 | C5 | H5 | 120.1° | 120.2° |
C5 | C6 | C7 | 119.5° | 120.3° |
C5 | C6 | H6 | 120.2° | 119.9° |
C7 | C6 | H6 | 120.2° | 119.8° |
C6 | C7 | C8 | 121.0° | 120.7° |
C6 | C7 | H7 | 119.5° | 119.7° |
C8 | C7 | H7 | 119.5° | 119.6° |
C7 | C8 | H8 | 120.5° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C8A | C4A | C8 | 179.7° | 179.7° |
O1 | C8A | C4A | C4 | 0.4° | 0.6° |
O1 | C8A | C4A | C5 | 180.0° | 179.7° |
C8A | O1 | C2 | C3 | 0.4° | 0.1° |
C8A | O1 | C2 | C1' | 179.9° | 180.0° |
O1 | C8A | C8 | C7 | 179.9° | 180.0° |
O1 | C8A | C8 | H8 | 0.1° | 0.1° |
C2 | O1 | C8A | C4A | 0.5° | 0.3° |
C2 | O1 | C8A | C8 | 179.8° | 180.0° |
O1 | C2 | C3 | C4 | 0.3° | 0.0° |
O1 | C2 | C3 | C1' | 179.6° | 179.9° |
O1 | C2 | C3 | H3 | 179.8° | 180.0° |
O1 | C2 | C1' | C2' | 85.0° | 39.7° |
O1 | C2 | C1' | C6' | 94.8° | 140.0° |
C8A | C4A | C4 | C5 | 179.6° | 179.1° |
C8A | C4A | C4 | C3 | 0.3° | 0.5° |
C8A | C4A | C4 | O4 | 179.8° | 179.7° |
C8A | C4A | C5 | C6 | 0.3° | 0.6° |
C8A | C4A | C5 | H5 | 179.7° | 179.7° |
C4A | C8A | C8 | C7 | 0.2° | 0.3° |
C4A | C8A | C8 | H8 | 179.8° | 179.8° |
C8 | C8A | C4A | C4 | 179.9° | 179.7° |
C8 | C8A | C4A | C5 | 0.3° | 0.6° |
C8A | C8 | C7 | C6 | 0.1° | 0.0° |
C8A | C8 | C7 | H8 | 180.0° | 179.9° |
C8A | C8 | C7 | H7 | 179.9° | 179.9° |
C4A | C4 | C3 | O4 | 180.0° | 179.8° |
C4A | C4 | C3 | C2 | 0.2° | 0.3° |
C4A | C4 | C3 | H3 | 179.8° | 179.7° |
C4 | C4A | C5 | C6 | 179.9° | 179.7° |
C4 | C4A | C5 | H5 | 0.1° | 0.6° |
C5 | C4A | C4 | C3 | 179.8° | 179.7° |
C5 | C4A | C4 | O4 | 0.2° | 0.6° |
C4A | C5 | C6 | H5 | 180.0° | 179.8° |
C4A | C5 | C6 | C7 | 0.2° | 0.2° |
C4A | C5 | C6 | H6 | 179.8° | 179.7° |
C4 | C3 | C2 | H3 | 180.0° | 180.0° |
C4 | C3 | C2 | C1' | 179.9° | 180.0° |
O4 | C4 | C3 | C2 | 179.8° | 179.9° |
O4 | C4 | C3 | H3 | 0.2° | 0.0° |
C3 | C2 | C1' | C2' | 94.7° | 140.2° |
C3 | C2 | C1' | C6' | 85.5° | 40.1° |
H3 | C3 | C2 | C1' | 0.1° | 0.0° |
C2 | C1' | C2' | C6' | 179.8° | 179.7° |
C2 | C1' | C2' | C3' | 179.9° | 179.9° |
C2 | C1' | C2' | H2' | 0.1° | 0.1° |
C2 | C1' | C6' | C5' | 179.9° | 179.8° |
C2 | C1' | C6' | H6' | 0.1° | 0.3° |
C1' | C2' | C3' | H2' | 180.0° | 180.0° |
C1' | C2' | C3' | C4' | 0.0° | 0.0° |
C1' | C2' | C3' | H3' | 180.0° | 180.0° |
C2' | C1' | C6' | C5' | 0.1° | 0.5° |
C2' | C1' | C6' | H6' | 179.9° | 180.0° |
C6' | C1' | C2' | C3' | 0.0° | 0.3° |
C6' | C1' | C2' | H2' | 180.0° | 179.8° |
C1' | C6' | C5' | C4' | 0.1° | 0.5° |
C1' | C6' | C5' | H6' | 180.0° | 179.4° |
C1' | C6' | C5' | H5' | 179.9° | 179.7° |
C2' | C3' | C4' | H3' | 180.0° | 179.9° |
C2' | C3' | C4' | C5' | 0.1° | 0.0° |
C2' | C3' | C4' | H4' | 179.9° | 180.0° |
H2' | C2' | C3' | C4' | 179.9° | 179.9° |
H2' | C2' | C3' | H3' | 0.1° | 0.0° |
C3' | C4' | C5' | H4' | 180.0° | 180.0° |
C3' | C4' | C5' | C6' | 0.1° | 0.3° |
C3' | C4' | C5' | H5' | 179.9° | 180.0° |
H3' | C3' | C4' | C5' | 179.9° | 179.9° |
H3' | C3' | C4' | H4' | 0.1° | 0.1° |
C4' | C5' | C6' | H5' | 180.0° | 179.7° |
C4' | C5' | C6' | H6' | 179.9° | 180.0° |
H4' | C4' | C5' | C6' | 179.9° | 179.7° |
H4' | C4' | C5' | H5' | 0.1° | 0.0° |
H5' | C5' | C6' | H6' | 0.1° | 0.3° |
C5 | C6 | C7 | H6 | 180.0° | 179.9° |
C5 | C6 | C7 | C8 | 0.1° | 0.1° |
C5 | C6 | C7 | H7 | 179.9° | 180.0° |
H5 | C5 | C6 | C7 | 179.8° | 180.0° |
H5 | C5 | C6 | H6 | 0.2° | 0.1° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | H8 | 179.9° | 179.9° |
H6 | C6 | C7 | C8 | 179.9° | 180.0° |
H6 | C6 | C7 | H7 | 0.1° | 0.1° |
H7 | C7 | C8 | H8 | 0.1° | 0.0° |