03W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O5 | sing | 1.43Å | 1.38Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.49Å | |
C2 | O2 | sing | 1.43Å | 1.38Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | C3 | sing | 1.43Å | 1.35Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.0° | 109.5° |
O1 | C1 | O5 | 111.9° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O1 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | O5 | 113.2° | 109.5° |
C1 | C2 | C3 | 116.3° | 109.5° |
C1 | C2 | O2 | 107.3° | 109.5° |
C1 | C2 | H2 | 106.2° | 109.5° |
C2 | C1 | H1 | 108.1° | 109.5° |
C1 | O5 | HO5 | 109.5° | 114.0° |
O5 | C1 | H1 | 105.0° | 109.4° |
C3 | C2 | O2 | 109.1° | 109.4° |
C3 | C2 | H2 | 104.3° | 109.5° |
C2 | C3 | O3 | 112.1° | 109.5° |
C2 | C3 | H3 | 108.6° | 109.5° |
C2 | C3 | H3A | 108.6° | 109.5° |
O2 | C2 | H2 | 113.8° | 109.4° |
C2 | O2 | HO2 | 109.5° | 113.9° |
O3 | C3 | H3 | 108.6° | 109.5° |
O3 | C3 | H3A | 108.6° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
H3 | C3 | H3A | 110.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 125.2° | 120.0° |
O1 | C1 | C2 | H1 | 118.9° | 120.0° |
O1 | C1 | O5 | H1 | 118.7° | 120.0° |
O1 | C1 | C2 | C3 | 174.5° | 175.0° |
O1 | C1 | C2 | O2 | 52.1° | 55.0° |
O1 | C1 | C2 | H2 | 70.0° | 65.0° |
O1 | C1 | O5 | HO5 | 180.0° | 60.1° |
C2 | C1 | O5 | H1 | 117.7° | 120.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | C3 | O2 | 121.5° | 120.0° |
C1 | C2 | C3 | H2 | 116.6° | 120.0° |
C1 | C2 | O2 | H2 | 117.2° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 67.5° | 175.0° |
C1 | C2 | C3 | H3 | 52.6° | 55.0° |
C1 | C2 | C3 | H3A | 172.5° | 65.0° |
C2 | C1 | O5 | HO5 | 56.4° | 59.9° |
O5 | C1 | O1 | HO1 | 54.0° | 60.0° |
O5 | C1 | C2 | C3 | 49.3° | 65.0° |
O5 | C1 | C2 | O2 | 73.1° | 175.0° |
O5 | C1 | C2 | H2 | 164.8° | 55.0° |
HO1 | O1 | C1 | H1 | 61.9° | 60.0° |
C3 | C2 | O2 | H2 | 116.0° | 120.0° |
C3 | C2 | O2 | HO2 | 53.2° | 60.1° |
C2 | C3 | O3 | H3 | 120.0° | 120.0° |
C2 | C3 | O3 | H3A | 120.0° | 120.0° |
C2 | C3 | H3 | H3A | 118.9° | 120.0° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C3 | C2 | C1 | H1 | 66.5° | 55.0° |
O2 | C2 | C3 | O3 | 171.1° | 65.0° |
O2 | C2 | C3 | H3 | 68.9° | 175.0° |
O2 | C2 | C3 | H3A | 51.1° | 55.0° |
O2 | C2 | C1 | H1 | 171.1° | 65.0° |
H2 | C2 | O2 | HO2 | 62.8° | 180.0° |
H2 | C2 | C3 | O3 | 49.1° | 55.0° |
H2 | C2 | C3 | H3 | 169.1° | 65.1° |
H2 | C2 | C3 | H3A | 70.9° | 175.0° |
H2 | C2 | C1 | H1 | 49.0° | 175.0° |
O3 | C3 | H3 | H3A | 118.9° | 120.0° |
H3 | C3 | O3 | HO3 | 60.0° | 60.0° |
H3A | C3 | O3 | HO3 | 60.0° | 60.0° |
HO5 | O5 | C1 | H1 | 61.3° | 180.0° |