OGU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.39Å | |
C | O | doub | 1.21Å | 1.19Å | |
C | C1 | sing | 1.51Å | 1.52Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.40Å | |
C2 | C4 | sing | 1.53Å | 1.53Å | |
C | OXT | sing | 1.34Å | 1.44Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
O1 | H6 | sing | 0.97Å | 0.95Å | |
O2 | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C | 106.5° | 109.4° |
O1 | C1 | C2 | 107.9° | 109.5° |
O1 | C1 | H1 | 112.7° | 109.5° |
C1 | O1 | H6 | 109.5° | 114.0° |
O | C | C1 | 123.9° | 120.0° |
O | C | OXT | 121.1° | 120.0° |
C | C1 | C2 | 108.1° | 109.5° |
C1 | C | OXT | 115.1° | 120.0° |
C | C1 | H1 | 110.7° | 109.5° |
C1 | C2 | O2 | 110.1° | 109.5° |
C1 | C2 | C4 | 109.8° | 109.5° |
C2 | C1 | H1 | 110.7° | 109.5° |
C1 | C2 | H2 | 108.6° | 109.5° |
O2 | C2 | C4 | 109.6° | 109.4° |
O2 | C2 | H2 | 110.3° | 109.5° |
C2 | O2 | H7 | 109.5° | 114.0° |
C4 | C2 | H2 | 108.5° | 109.5° |
C2 | C4 | H3 | 109.5° | 109.4° |
C2 | C4 | H4 | 109.4° | 109.5° |
C2 | C4 | H5 | 109.5° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
H3 | C4 | H4 | 109.5° | 109.5° |
H3 | C4 | H5 | 109.4° | 109.4° |
H4 | C4 | H5 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C | O | 146.6° | 5.0° |
O1 | C1 | C | C2 | 115.7° | 120.0° |
O1 | C1 | C | H1 | 122.9° | 120.0° |
O1 | C1 | C2 | H1 | 123.8° | 120.0° |
O1 | C1 | C2 | O2 | 60.0° | 65.0° |
O1 | C1 | C2 | C4 | 179.3° | 55.0° |
O1 | C1 | C | OXT | 33.7° | 175.0° |
O1 | C1 | C2 | H2 | 60.8° | 175.0° |
O | C | C1 | OXT | 179.7° | 180.0° |
O | C | C1 | C2 | 97.7° | 115.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
O | C | C1 | H1 | 23.7° | 125.0° |
C | C1 | C2 | H1 | 121.4° | 120.0° |
C | C1 | C2 | O2 | 174.8° | 55.0° |
C | C1 | C2 | C4 | 64.5° | 175.0° |
C1 | C | OXT | HXT | 179.7° | 180.0° |
C | C1 | C2 | H2 | 54.0° | 65.0° |
C | C1 | O1 | H6 | 180.0° | 60.0° |
C1 | C2 | O2 | C4 | 120.8° | 120.0° |
C1 | C2 | O2 | H2 | 119.8° | 120.0° |
C1 | C2 | C4 | H2 | 118.5° | 120.0° |
C2 | C1 | C | OXT | 82.0° | 65.0° |
C1 | C2 | C4 | H3 | 180.0° | 180.0° |
C1 | C2 | C4 | H4 | 60.0° | 60.0° |
C1 | C2 | C4 | H5 | 60.0° | 60.1° |
C2 | C1 | O1 | H6 | 64.2° | 60.0° |
C1 | C2 | O2 | H7 | 180.0° | 180.0° |
O2 | C2 | C4 | H2 | 120.5° | 120.0° |
O2 | C2 | C1 | H1 | 63.8° | 175.0° |
O2 | C2 | C4 | H3 | 59.0° | 60.0° |
O2 | C2 | C4 | H4 | 61.0° | 60.0° |
O2 | C2 | C4 | H5 | 178.9° | 179.9° |
C4 | C2 | C1 | H1 | 56.9° | 65.0° |
C2 | C4 | H3 | H4 | 120.0° | 120.0° |
C2 | C4 | H3 | H5 | 120.0° | 119.9° |
C2 | C4 | H4 | H5 | 120.0° | 120.0° |
C4 | C2 | O2 | H7 | 59.2° | 60.0° |
OXT | C | C1 | H1 | 156.6° | 55.0° |
H1 | C1 | C2 | H2 | 175.4° | 55.0° |
H1 | C1 | O1 | H6 | 58.4° | 180.0° |
H2 | C2 | C4 | H3 | 61.5° | 59.9° |
H2 | C2 | C4 | H4 | 178.5° | 180.0° |
H2 | C2 | C4 | H5 | 58.5° | 60.0° |
H2 | C2 | O2 | H7 | 60.2° | 59.9° |
H3 | C4 | H4 | H5 | 120.0° | 120.0° |