ARB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.49Å | |
C1 | O1 | sing | 1.43Å | 1.38Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.46Å | |
C2 | O2 | sing | 1.43Å | 1.47Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.46Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.58Å | |
C4 | O4 | sing | 1.43Å | 1.48Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 110.2° | 109.4° |
C2 | C1 | O5 | 113.2° | 109.8° |
C2 | C1 | H1 | 105.1° | 109.5° |
C1 | C2 | C3 | 112.9° | 109.1° |
C1 | C2 | O2 | 108.0° | 109.5° |
C1 | C2 | H2 | 106.5° | 109.5° |
O1 | C1 | O5 | 104.9° | 109.4° |
O1 | C1 | H1 | 113.4° | 109.4° |
C1 | O1 | HO1 | 110.2° | 106.8° |
O5 | C1 | H1 | 110.4° | 109.4° |
C1 | O5 | C5 | 122.6° | 107.6° |
C3 | C2 | O2 | 103.8° | 109.6° |
C3 | C2 | H2 | 110.5° | 109.6° |
C2 | C3 | C4 | 109.3° | 108.5° |
C2 | C3 | O3 | 114.3° | 109.6° |
C2 | C3 | H3 | 105.9° | 109.6° |
O2 | C2 | H2 | 115.3° | 109.5° |
C2 | O2 | HO2 | 108.0° | 106.8° |
C4 | C3 | O3 | 108.2° | 109.8° |
C4 | C3 | H3 | 112.3° | 109.7° |
C3 | C4 | C5 | 110.8° | 109.1° |
C3 | C4 | O4 | 113.0° | 109.6° |
C3 | C4 | H4 | 106.6° | 109.5° |
O3 | C3 | H3 | 106.9° | 109.6° |
C3 | O3 | HO3 | 114.3° | 106.8° |
C5 | C4 | O4 | 110.8° | 109.6° |
C5 | C4 | H4 | 108.9° | 109.5° |
C4 | C5 | O5 | 107.3° | 109.8° |
C4 | C5 | H51 | 113.0° | 109.4° |
C4 | C5 | H52 | 113.0° | 109.4° |
O4 | C4 | H4 | 106.6° | 109.5° |
C4 | O4 | HO4 | 113.0° | 106.8° |
O5 | C5 | H51 | 113.1° | 109.5° |
O5 | C5 | H52 | 113.1° | 109.4° |
H51 | C5 | H52 | 97.4° | 109.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 122.1° | 120.3° |
C2 | C1 | O1 | H1 | 117.4° | 119.9° |
C2 | C1 | O5 | H1 | 117.5° | 120.1° |
C1 | C2 | C3 | O2 | 116.6° | 119.9° |
C1 | C2 | C3 | H2 | 119.2° | 119.9° |
C1 | C2 | O2 | H2 | 119.0° | 120.1° |
C1 | C2 | C3 | C4 | 56.8° | 53.7° |
C1 | C2 | C3 | O3 | 178.2° | 173.6° |
C1 | C2 | C3 | H3 | 64.3° | 66.0° |
C2 | C1 | O5 | C5 | 42.6° | 67.6° |
C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 122.4° | 119.8° |
O1 | C1 | C2 | C3 | 70.5° | 58.8° |
O1 | C1 | C2 | O2 | 43.5° | 61.1° |
O1 | C1 | C2 | H2 | 168.0° | 178.8° |
O1 | C1 | O5 | C5 | 77.5° | 52.5° |
O5 | C1 | C2 | C3 | 46.5° | 61.3° |
O5 | C1 | C2 | O2 | 160.6° | 178.8° |
O5 | C1 | C2 | H2 | 75.0° | 58.7° |
C1 | O5 | C5 | C4 | 44.6° | 67.6° |
C1 | O5 | C5 | H51 | 80.7° | 52.5° |
C1 | O5 | C5 | H52 | 169.8° | 172.3° |
O5 | C1 | O1 | HO1 | 57.9° | 60.0° |
H1 | C1 | C2 | C3 | 167.0° | 178.6° |
H1 | C1 | C2 | O2 | 78.9° | 58.7° |
H1 | C1 | C2 | H2 | 45.5° | 61.4° |
H1 | C1 | O5 | C5 | 160.0° | 172.3° |
H1 | C1 | O1 | HO1 | 62.6° | 59.9° |
C3 | C2 | O2 | H2 | 121.0° | 120.3° |
C2 | C3 | C4 | O3 | 125.1° | 119.8° |
C2 | C3 | C4 | H3 | 117.1° | 119.7° |
C2 | C3 | O3 | H3 | 116.9° | 120.3° |
C2 | C3 | C4 | C5 | 60.2° | 53.7° |
C2 | C3 | C4 | O4 | 64.8° | 66.3° |
C2 | C3 | C4 | H4 | 178.5° | 173.6° |
C3 | C2 | O2 | HO2 | 59.9° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 179.9° |
O2 | C2 | C3 | C4 | 173.4° | 173.6° |
O2 | C2 | C3 | O3 | 65.1° | 66.4° |
O2 | C2 | C3 | H3 | 52.3° | 53.9° |
H2 | C2 | C3 | C4 | 62.4° | 66.2° |
H2 | C2 | C3 | O3 | 59.0° | 53.7° |
H2 | C2 | C3 | H3 | 176.5° | 174.0° |
H2 | C2 | O2 | HO2 | 61.1° | 60.1° |
C4 | C3 | O3 | H3 | 121.1° | 120.5° |
C3 | C4 | C5 | O4 | 126.2° | 120.0° |
C3 | C4 | C5 | H4 | 116.9° | 119.9° |
C3 | C4 | O4 | H4 | 116.7° | 120.2° |
C3 | C4 | C5 | O5 | 51.2° | 61.3° |
C3 | C4 | C5 | H51 | 74.1° | 58.8° |
C3 | C4 | C5 | H52 | 176.5° | 178.6° |
C4 | C3 | O3 | HO3 | 58.0° | 60.9° |
C3 | C4 | O4 | HO4 | 179.9° | 179.8° |
O3 | C3 | C4 | C5 | 174.8° | 173.5° |
O3 | C3 | C4 | O4 | 60.3° | 53.6° |
O3 | C3 | C4 | H4 | 56.4° | 66.6° |
H3 | C3 | C4 | C5 | 57.0° | 66.0° |
H3 | C3 | C4 | O4 | 178.0° | 174.1° |
H3 | C3 | C4 | H4 | 61.4° | 53.9° |
H3 | C3 | O3 | HO3 | 63.1° | 59.6° |
C5 | C4 | O4 | H4 | 118.4° | 120.2° |
C4 | C5 | O5 | H51 | 125.3° | 120.1° |
C4 | C5 | O5 | H52 | 125.3° | 120.1° |
C4 | C5 | H51 | H52 | 118.9° | 119.8° |
C5 | C4 | O4 | HO4 | 55.1° | 60.2° |
O4 | C4 | C5 | O5 | 75.0° | 58.6° |
O4 | C4 | C5 | H51 | 159.7° | 178.8° |
O4 | C4 | C5 | H52 | 50.3° | 61.4° |
H4 | C4 | C5 | O5 | 168.1° | 178.8° |
H4 | C4 | C5 | H51 | 42.7° | 61.1° |
H4 | C4 | C5 | H52 | 66.6° | 58.7° |
H4 | C4 | O4 | HO4 | 63.3° | 60.0° |
O5 | C5 | H51 | H52 | 119.0° | 119.8° |