BIK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | sing | 1.36Å | 1.33Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
C6 | C5 | sing | 1.36Å | 1.42Å | Aromatic |
C7 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C8 | C8A | doub | 1.41Å | 1.40Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C8A | C4A | sing | 1.42Å | 1.40Å | Aromatic |
C8A | C1 | sing | 1.40Å | 1.41Å | Aromatic |
C4A | C5 | doub | 1.41Å | 1.42Å | Aromatic |
C4A | C4 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C4 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C1 | C2 | doub | 1.36Å | 1.41Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | O2 | sing | 1.36Å | 1.29Å | |
C2 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | C31 | sing | 1.47Å | 1.52Å | |
C31 | O32 | sing | 1.21Å | 1.27Å | |
C31 | O31 | doub | 1.35Å | 1.24Å | |
O32 | H32 | sing | 3.88Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | O6 | HO6 | 119.9° | 106.8° |
O6 | C6 | C7 | 119.8° | 119.5° |
O6 | C6 | C5 | 124.5° | 119.6° |
C7 | C6 | C5 | 115.6° | 120.9° |
C6 | C7 | C8 | 122.7° | 121.0° |
C6 | C7 | H7 | 118.5° | 119.5° |
C6 | C5 | C4A | 122.1° | 119.6° |
C6 | C5 | H5 | 118.7° | 120.1° |
C8 | C7 | H7 | 118.8° | 119.5° |
C7 | C8 | C8A | 121.2° | 119.8° |
C7 | C8 | H8 | 119.6° | 120.1° |
C8A | C8 | H8 | 119.2° | 120.1° |
C8 | C8A | C4A | 118.0° | 119.3° |
C8 | C8A | C1 | 120.3° | 120.9° |
C4A | C8A | C1 | 121.6° | 119.8° |
C8A | C4A | C5 | 120.3° | 119.4° |
C8A | C4A | C4 | 117.0° | 119.6° |
C8A | C1 | C2 | 121.6° | 120.0° |
C8A | C1 | H1 | 119.4° | 120.0° |
C5 | C4A | C4 | 122.7° | 121.0° |
C4A | C5 | H5 | 119.2° | 120.2° |
C4A | C4 | C3 | 121.9° | 119.5° |
C4A | C4 | H4 | 118.7° | 120.2° |
C3 | C4 | H4 | 119.4° | 120.3° |
C4 | C3 | C2 | 120.3° | 120.4° |
C4 | C3 | C31 | 120.0° | 119.8° |
C2 | C1 | H1 | 119.0° | 120.0° |
C1 | C2 | O2 | 119.9° | 119.7° |
C1 | C2 | C3 | 117.5° | 120.7° |
O2 | C2 | C3 | 122.5° | 119.7° |
C2 | O2 | HO2 | 119.9° | 106.9° |
C2 | C3 | C31 | 119.7° | 119.8° |
C3 | C31 | O32 | 121.4° | 120.0° |
C3 | C31 | O31 | 117.9° | 120.0° |
O32 | C31 | O31 | 120.7° | 120.0° |
C31 | O32 | H32 | 121.4° | 37.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C7 | C5 | 179.6° | 179.9° |
O6 | C6 | C7 | C8 | 179.7° | 179.9° |
O6 | C6 | C7 | H7 | 0.3° | 0.1° |
O6 | C6 | C5 | C4A | 179.8° | 179.9° |
O6 | C6 | C5 | H5 | 0.2° | 0.1° |
HO6 | O6 | C6 | C7 | 179.9° | 89.9° |
HO6 | O6 | C6 | C5 | 0.5° | 90.0° |
C6 | C7 | C8 | H7 | 179.9° | 179.9° |
C6 | C7 | C8 | C8A | 0.1° | 0.0° |
C6 | C7 | C8 | H8 | 180.0° | 180.0° |
C7 | C6 | C5 | C4A | 0.2° | 0.1° |
C7 | C6 | C5 | H5 | 179.8° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.0° |
C5 | C6 | C7 | H7 | 179.9° | 180.0° |
C6 | C5 | C4A | C8A | 0.1° | 0.0° |
C6 | C5 | C4A | H5 | 180.0° | 179.9° |
C6 | C5 | C4A | C4 | 179.9° | 180.0° |
C7 | C8 | C8A | H8 | 179.9° | 180.0° |
C7 | C8 | C8A | C4A | 0.3° | 0.0° |
C7 | C8 | C8A | C1 | 179.0° | 180.0° |
H7 | C7 | C8 | C8A | 179.8° | 179.9° |
H7 | C7 | C8 | H8 | 0.1° | 0.0° |
C8 | C8A | C4A | C1 | 178.7° | 179.9° |
C8 | C8A | C4A | C5 | 0.2° | 0.0° |
C8 | C8A | C4A | C4 | 179.7° | 180.0° |
C8 | C8A | C1 | C2 | 179.9° | 179.7° |
C8 | C8A | C1 | H1 | 0.1° | 0.1° |
H8 | C8 | C8A | C4A | 179.8° | 180.0° |
H8 | C8 | C8A | C1 | 1.1° | 0.1° |
C8A | C4A | C5 | C4 | 179.9° | 180.0° |
C8A | C4A | C5 | H5 | 180.0° | 179.9° |
C8A | C4A | C4 | C3 | 0.6° | 0.0° |
C8A | C4A | C4 | H4 | 179.4° | 179.9° |
C4A | C8A | C1 | C2 | 1.5° | 0.2° |
C4A | C8A | C1 | H1 | 178.6° | 180.0° |
C1 | C8A | C4A | C5 | 178.8° | 180.0° |
C1 | C8A | C4A | C4 | 1.0° | 0.0° |
C8A | C1 | C2 | H1 | 180.0° | 179.8° |
C8A | C1 | C2 | O2 | 177.4° | 180.0° |
C8A | C1 | C2 | C3 | 0.2° | 0.5° |
C5 | C4A | C4 | C3 | 179.5° | 180.0° |
C5 | C4A | C4 | H4 | 0.5° | 0.1° |
C4 | C4A | C5 | H5 | 0.1° | 0.1° |
C4A | C4 | C3 | H4 | 180.0° | 179.9° |
C4A | C4 | C3 | C2 | 1.9° | 0.3° |
C4A | C4 | C3 | C31 | 179.3° | 180.0° |
C4 | C3 | C2 | C1 | 1.4° | 0.5° |
C4 | C3 | C2 | O2 | 178.9° | 180.0° |
C4 | C3 | C2 | C31 | 178.8° | 179.7° |
C4 | C3 | C31 | O32 | 1.2° | 180.0° |
C4 | C3 | C31 | O31 | 179.6° | 0.0° |
H4 | C4 | C3 | C2 | 178.1° | 179.8° |
H4 | C4 | C3 | C31 | 0.7° | 0.1° |
C1 | C2 | O2 | C3 | 177.4° | 179.5° |
C1 | C2 | O2 | HO2 | 179.9° | 90.0° |
C1 | C2 | C3 | C31 | 179.8° | 179.7° |
H1 | C1 | C2 | O2 | 2.6° | 0.2° |
H1 | C1 | C2 | C3 | 179.9° | 179.7° |
O2 | C2 | C3 | C31 | 2.3° | 0.2° |
C3 | C2 | O2 | HO2 | 2.5° | 90.5° |
C2 | C3 | C31 | O32 | 180.0° | 0.3° |
C2 | C3 | C31 | O31 | 0.8° | 179.8° |
C3 | C31 | O32 | O31 | 179.2° | 180.0° |
C3 | C31 | O32 | H32 | 180.0° | 0.2° |
O31 | C31 | O32 | H32 | 0.8° | 179.8° |