FSE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C5 | doub | 1.37Å | 1.43Å | Aromatic |
C6 | C7 | sing | 1.39Å | 1.44Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C5 | C10 | sing | 1.40Å | 1.51Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C10 | C9 | doub | 1.41Å | 1.48Å | Aromatic |
C10 | C4 | sing | 1.47Å | 1.49Å | |
C9 | C8 | sing | 1.39Å | 1.46Å | Aromatic |
C9 | O1 | sing | 1.35Å | 1.47Å | |
C8 | C7 | doub | 1.38Å | 1.45Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C7 | O7 | sing | 1.36Å | 1.40Å | |
C4 | C3 | sing | 1.42Å | 1.52Å | |
C4 | O4 | doub | 1.22Å | 1.28Å | |
C3 | C2 | doub | 1.36Å | 1.43Å | |
C3 | O3 | sing | 1.36Å | 1.41Å | |
C2 | C1' | sing | 1.48Å | 1.47Å | |
C2 | O1 | sing | 1.34Å | 1.43Å | |
C1' | C6' | doub | 1.40Å | 1.42Å | Aromatic |
C1' | C2' | sing | 1.40Å | 1.50Å | Aromatic |
C6' | C5' | sing | 1.38Å | 1.41Å | Aromatic |
C6' | H6' | sing | 1.08Å | 1.08Å | |
C5' | C4' | doub | 1.39Å | 1.42Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.08Å | |
C4' | C3' | sing | 1.39Å | 1.41Å | Aromatic |
C4' | O4' | sing | 1.36Å | 1.34Å | |
C3' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
C3' | O3' | sing | 1.36Å | 1.41Å | |
C2' | H2' | sing | 1.08Å | 1.08Å | |
O3' | H3' | sing | 0.97Å | 0.95Å | |
O4' | H4' | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C6 | C7 | 121.6° | 120.3° |
C5 | C6 | H6 | 119.2° | 119.8° |
C6 | C5 | C10 | 122.6° | 119.8° |
C6 | C5 | H5 | 118.7° | 120.1° |
C7 | C6 | H6 | 119.2° | 119.9° |
C6 | C7 | C8 | 119.1° | 120.6° |
C6 | C7 | O7 | 121.7° | 119.7° |
C10 | C5 | H5 | 118.7° | 120.1° |
C5 | C10 | C9 | 113.1° | 120.2° |
C5 | C10 | C4 | 126.8° | 121.3° |
C9 | C10 | C4 | 120.1° | 118.5° |
C10 | C9 | C8 | 123.9° | 119.3° |
C10 | C9 | O1 | 116.8° | 119.9° |
C10 | C4 | C3 | 118.3° | 117.4° |
C10 | C4 | O4 | 124.0° | 121.3° |
C8 | C9 | O1 | 119.2° | 120.8° |
C9 | C8 | C7 | 119.7° | 119.8° |
C9 | C8 | H8 | 120.2° | 120.1° |
C9 | O1 | C2 | 125.8° | 122.3° |
C7 | C8 | H8 | 120.1° | 120.1° |
C8 | C7 | O7 | 119.1° | 119.7° |
C7 | O7 | HO7 | 109.5° | 114.0° |
C3 | C4 | O4 | 117.7° | 121.3° |
C4 | C3 | C2 | 121.3° | 119.4° |
C4 | C3 | O3 | 118.9° | 120.3° |
C2 | C3 | O3 | 119.8° | 120.3° |
C3 | C2 | C1' | 132.7° | 118.7° |
C3 | C2 | O1 | 117.7° | 122.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C1' | C2 | O1 | 109.6° | 118.7° |
C2 | C1' | C6' | 122.1° | 120.1° |
C2 | C1' | C2' | 120.3° | 120.1° |
C6' | C1' | C2' | 117.5° | 119.9° |
C1' | C6' | C5' | 120.9° | 119.9° |
C1' | C6' | H6' | 119.5° | 120.0° |
C1' | C2' | C3' | 120.4° | 119.9° |
C1' | C2' | H2' | 119.8° | 120.1° |
C5' | C6' | H6' | 119.6° | 120.0° |
C6' | C5' | C4' | 120.1° | 120.1° |
C6' | C5' | H5' | 120.0° | 119.9° |
C4' | C5' | H5' | 119.9° | 120.0° |
C5' | C4' | C3' | 121.8° | 120.2° |
C5' | C4' | O4' | 117.4° | 119.9° |
C3' | C4' | O4' | 120.8° | 119.9° |
C4' | C3' | C2' | 119.2° | 120.0° |
C4' | C3' | O3' | 116.1° | 120.0° |
C4' | O4' | H4' | 109.5° | 114.0° |
C2' | C3' | O3' | 124.6° | 120.0° |
C3' | C2' | H2' | 119.8° | 120.1° |
C3' | O3' | H3' | 109.5° | 114.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C6 | C7 | H6 | 180.0° | 179.6° |
C6 | C5 | C10 | H5 | 180.0° | 179.9° |
C6 | C5 | C10 | C9 | 1.0° | 0.0° |
C6 | C5 | C10 | C4 | 177.4° | 180.0° |
C5 | C6 | C7 | C8 | 2.6° | 0.0° |
C5 | C6 | C7 | O7 | 176.8° | 180.0° |
C7 | C6 | C5 | C10 | 0.6° | 0.1° |
C7 | C6 | C5 | H5 | 179.4° | 180.0° |
C6 | C7 | C8 | C9 | 2.8° | 0.0° |
C6 | C7 | C8 | O7 | 179.4° | 180.0° |
C6 | C7 | C8 | H8 | 177.2° | 180.0° |
C6 | C7 | O7 | HO7 | 180.0° | 90.0° |
H6 | C6 | C5 | C10 | 179.4° | 179.7° |
H6 | C6 | C5 | H5 | 0.6° | 0.4° |
H6 | C6 | C7 | C8 | 177.4° | 179.7° |
H6 | C6 | C7 | O7 | 3.2° | 0.3° |
C5 | C10 | C9 | C4 | 178.6° | 180.0° |
C5 | C10 | C9 | C8 | 0.8° | 0.0° |
C5 | C10 | C9 | O1 | 179.4° | 180.0° |
C5 | C10 | C4 | C3 | 178.2° | 180.0° |
C5 | C10 | C4 | O4 | 1.2° | 0.1° |
H5 | C5 | C10 | C9 | 178.9° | 180.0° |
H5 | C5 | C10 | C4 | 2.6° | 0.1° |
C10 | C9 | C8 | O1 | 178.6° | 180.0° |
C10 | C9 | C8 | C7 | 1.1° | 0.0° |
C10 | C9 | C8 | H8 | 178.9° | 180.0° |
C9 | C10 | C4 | C3 | 0.2° | 0.1° |
C9 | C10 | C4 | O4 | 179.6° | 180.0° |
C10 | C9 | O1 | C2 | 1.5° | 0.0° |
C4 | C10 | C9 | C8 | 177.8° | 180.0° |
C4 | C10 | C9 | O1 | 0.8° | 0.0° |
C10 | C4 | C3 | O4 | 179.5° | 179.9° |
C10 | C4 | C3 | C2 | 0.6° | 0.0° |
C10 | C4 | C3 | O3 | 179.7° | 179.9° |
C9 | C8 | C7 | H8 | 180.0° | 180.0° |
C9 | C8 | C7 | O7 | 176.6° | 180.0° |
C8 | C9 | O1 | C2 | 177.2° | 180.0° |
O1 | C9 | C8 | C7 | 177.4° | 180.0° |
O1 | C9 | C8 | H8 | 2.5° | 0.0° |
C9 | O1 | C2 | C3 | 1.1° | 0.0° |
C9 | O1 | C2 | C1' | 179.7° | 180.0° |
C8 | C7 | O7 | HO7 | 0.6° | 90.0° |
H8 | C8 | C7 | O7 | 3.4° | 0.0° |
C4 | C3 | C2 | O3 | 179.8° | 179.9° |
C4 | C3 | C2 | C1' | 178.2° | 180.0° |
C4 | C3 | C2 | O1 | 0.0° | 0.0° |
C4 | C3 | O3 | HO3 | 0.1° | 0.0° |
O4 | C4 | C3 | C2 | 179.9° | 180.0° |
O4 | C4 | C3 | O3 | 0.1° | 0.0° |
C3 | C2 | C1' | O1 | 178.2° | 180.0° |
C3 | C2 | C1' | C6' | 8.3° | 132.5° |
C3 | C2 | C1' | C2' | 171.1° | 47.7° |
C2 | C3 | O3 | HO3 | 179.9° | 180.0° |
O3 | C3 | C2 | C1' | 1.6° | 0.1° |
O3 | C3 | C2 | O1 | 179.7° | 179.9° |
C2 | C1' | C6' | C2' | 179.5° | 179.7° |
C2 | C1' | C6' | C5' | 179.5° | 180.0° |
C2 | C1' | C6' | H6' | 0.5° | 0.1° |
C2 | C1' | C2' | C3' | 179.6° | 179.7° |
C2 | C1' | C2' | H2' | 0.4° | 0.0° |
O1 | C2 | C1' | C6' | 169.9° | 47.5° |
O1 | C2 | C1' | C2' | 10.7° | 132.3° |
C1' | C6' | C5' | H6' | 180.0° | 179.9° |
C1' | C6' | C5' | C4' | 0.2° | 0.0° |
C1' | C6' | C5' | H5' | 179.8° | 180.0° |
C6' | C1' | C2' | C3' | 0.9° | 0.6° |
C6' | C1' | C2' | H2' | 179.1° | 179.7° |
C2' | C1' | C6' | C5' | 1.0° | 0.3° |
C2' | C1' | C6' | H6' | 179.0° | 179.8° |
C1' | C2' | C3' | C4' | 0.1° | 0.6° |
C1' | C2' | C3' | H2' | 180.0° | 179.7° |
C1' | C2' | C3' | O3' | 178.6° | 179.7° |
C6' | C5' | C4' | H5' | 180.0° | 179.9° |
C6' | C5' | C4' | C3' | 0.9° | 0.1° |
C6' | C5' | C4' | O4' | 180.0° | 180.0° |
H6' | C6' | C5' | C4' | 179.8° | 179.9° |
H6' | C6' | C5' | H5' | 0.2° | 0.1° |
C5' | C4' | C3' | O4' | 179.1° | 179.9° |
C5' | C4' | C3' | C2' | 1.0° | 0.4° |
C5' | C4' | C3' | O3' | 179.6° | 180.0° |
C5' | C4' | O4' | H4' | 180.0° | 90.0° |
H5' | C5' | C4' | C3' | 179.1° | 180.0° |
H5' | C5' | C4' | O4' | 0.0° | 0.1° |
C4' | C3' | C2' | O3' | 178.4° | 179.6° |
C4' | C3' | C2' | H2' | 179.9° | 179.7° |
C4' | C3' | O3' | H3' | 180.0° | 89.9° |
C3' | C4' | O4' | H4' | 0.9° | 90.1° |
O4' | C4' | C3' | C2' | 179.9° | 179.7° |
O4' | C4' | C3' | O3' | 1.3° | 0.1° |
C2' | C3' | O3' | H3' | 1.5° | 89.7° |
O3' | C3' | C2' | H2' | 1.4° | 0.1° |