AKG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.19Å | |
C1 | O2 | sing | 1.35Å | 1.32Å | |
C1 | C2 | sing | 1.49Å | 1.48Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C2 | O5 | doub | 1.21Å | 1.26Å | |
C2 | C3 | sing | 1.51Å | 1.49Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.51Å | 1.52Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | O3 | doub | 1.21Å | 1.21Å | |
C5 | O4 | sing | 1.34Å | 1.31Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2 | 128.5° | 120.0° |
O1 | C1 | C2 | 117.6° | 120.0° |
O2 | C1 | C2 | 113.7° | 120.0° |
C1 | O2 | HO2 | 109.5° | 116.9° |
C1 | C2 | O5 | 115.4° | 120.0° |
C1 | C2 | C3 | 121.6° | 120.0° |
O5 | C2 | C3 | 122.9° | 120.0° |
C2 | C3 | C4 | 111.5° | 109.5° |
C2 | C3 | H31 | 109.0° | 109.4° |
C2 | C3 | H32 | 109.0° | 109.5° |
C4 | C3 | H31 | 109.0° | 109.4° |
C4 | C3 | H32 | 109.0° | 109.5° |
C3 | C4 | C5 | 110.7° | 109.5° |
C3 | C4 | H41 | 109.1° | 109.4° |
C3 | C4 | H42 | 109.2° | 109.5° |
H31 | C3 | H32 | 109.4° | 109.5° |
C5 | C4 | H41 | 109.2° | 109.5° |
C5 | C4 | H42 | 109.1° | 109.5° |
C4 | C5 | O3 | 124.7° | 120.0° |
C4 | C5 | O4 | 113.2° | 120.1° |
H41 | C4 | H42 | 109.5° | 109.5° |
O3 | C5 | O4 | 122.1° | 120.0° |
C5 | O4 | HO4 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2 | C2 | 175.7° | 179.7° |
O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
O1 | C1 | C2 | O5 | 10.3° | 180.0° |
O1 | C1 | C2 | C3 | 172.3° | 0.1° |
O2 | C1 | C2 | O5 | 165.9° | 0.3° |
O2 | C1 | C2 | C3 | 11.5° | 179.8° |
C2 | C1 | O2 | HO2 | 175.7° | 179.7° |
C1 | C2 | O5 | C3 | 177.4° | 179.9° |
C1 | C2 | C3 | C4 | 106.5° | 180.0° |
C1 | C2 | C3 | H31 | 13.8° | 60.1° |
C1 | C2 | C3 | H32 | 133.2° | 59.9° |
O5 | C2 | C3 | C4 | 76.3° | 0.1° |
O5 | C2 | C3 | H31 | 163.4° | 120.0° |
O5 | C2 | C3 | H32 | 44.0° | 120.0° |
C2 | C3 | C4 | H31 | 120.3° | 119.9° |
C2 | C3 | C4 | H32 | 120.3° | 120.1° |
C2 | C3 | H31 | H32 | 119.1° | 120.0° |
C2 | C3 | C4 | C5 | 173.5° | 180.0° |
C2 | C3 | C4 | H41 | 66.3° | 60.0° |
C2 | C3 | C4 | H42 | 53.3° | 59.9° |
C4 | C3 | H31 | H32 | 119.1° | 120.0° |
C3 | C4 | C5 | H41 | 120.2° | 119.9° |
C3 | C4 | C5 | H42 | 120.2° | 120.1° |
C3 | C4 | H41 | H42 | 119.4° | 120.0° |
C3 | C4 | C5 | O3 | 2.9° | 0.1° |
C3 | C4 | C5 | O4 | 177.6° | 180.0° |
H31 | C3 | C4 | C5 | 53.1° | 60.1° |
H31 | C3 | C4 | H41 | 173.4° | 180.0° |
H31 | C3 | C4 | H42 | 67.0° | 60.0° |
H32 | C3 | C4 | C5 | 66.2° | 59.9° |
H32 | C3 | C4 | H41 | 54.0° | 60.0° |
H32 | C3 | C4 | H42 | 173.6° | 180.0° |
C5 | C4 | H41 | H42 | 119.4° | 120.0° |
C4 | C5 | O3 | O4 | 179.5° | 179.9° |
C4 | C5 | O4 | HO4 | 179.5° | 180.0° |
H41 | C4 | C5 | O3 | 117.3° | 120.0° |
H41 | C4 | C5 | O4 | 62.2° | 60.1° |
H42 | C4 | C5 | O3 | 123.1° | 120.0° |
H42 | C4 | C5 | O4 | 57.4° | 59.9° |
O3 | C5 | O4 | HO4 | 0.0° | 0.1° |