RBL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.51Å | 1.51Å | |
C2 | O2 | doub | 1.21Å | 1.22Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.0° | 109.5° |
C1 | C2 | C3 | 119.6° | 120.0° |
C1 | C2 | O2 | 120.5° | 120.0° |
C2 | C1 | H11 | 109.0° | 109.5° |
C2 | C1 | H12 | 108.6° | 109.5° |
O1 | C1 | H11 | 109.0° | 109.4° |
O1 | C1 | H12 | 108.6° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C3 | C2 | O2 | 120.0° | 120.0° |
C2 | C3 | O3 | 109.8° | 109.5° |
C2 | C3 | C4 | 111.7° | 109.5° |
C2 | C3 | H3 | 107.4° | 109.5° |
O3 | C3 | C4 | 108.6° | 109.5° |
O3 | C3 | H3 | 110.6° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 112.7° | 109.5° |
C3 | C4 | C5 | 108.9° | 109.5° |
C4 | C3 | H3 | 108.6° | 109.5° |
C3 | C4 | H4 | 107.8° | 109.5° |
O4 | C4 | C5 | 109.9° | 109.5° |
O4 | C4 | H4 | 106.7° | 109.4° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | O5 | 109.0° | 109.5° |
C5 | C4 | H4 | 110.8° | 109.5° |
C4 | C5 | H51 | 109.6° | 109.5° |
C4 | C5 | H52 | 109.8° | 109.4° |
O5 | C5 | H51 | 109.6° | 109.5° |
O5 | C5 | H52 | 109.7° | 109.4° |
C5 | O5 | HO5 | 109.5° | 114.0° |
H11 | C1 | H12 | 110.7° | 109.4° |
H51 | C5 | H52 | 109.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H11 | 120.0° | 120.1° |
C2 | C1 | O1 | H12 | 119.3° | 120.1° |
C1 | C2 | C3 | O2 | 179.1° | 180.0° |
C1 | C2 | C3 | O3 | 132.2° | 160.0° |
C1 | C2 | C3 | C4 | 107.3° | 80.0° |
C2 | C1 | H11 | H12 | 119.4° | 120.1° |
C1 | C2 | C3 | H3 | 11.8° | 40.0° |
C2 | C1 | O1 | HO1 | 94.4° | 180.0° |
O1 | C1 | C2 | C3 | 175.7° | 180.0° |
O1 | C1 | C2 | O2 | 5.2° | 0.0° |
O1 | C1 | H11 | H12 | 119.4° | 119.9° |
C2 | C3 | O3 | C4 | 122.4° | 120.0° |
C2 | C3 | O3 | H3 | 118.4° | 120.0° |
C2 | C3 | C4 | H3 | 118.4° | 120.0° |
C2 | C3 | C4 | O4 | 19.8° | 60.0° |
C2 | C3 | C4 | C5 | 142.0° | 180.0° |
C3 | C2 | C1 | H11 | 55.7° | 60.0° |
C3 | C2 | C1 | H12 | 65.0° | 60.0° |
C2 | C3 | O3 | HO3 | 138.5° | 60.0° |
C2 | C3 | C4 | H4 | 97.7° | 60.0° |
O2 | C2 | C3 | O3 | 46.9° | 20.0° |
O2 | C2 | C3 | C4 | 73.7° | 100.0° |
O2 | C2 | C1 | H11 | 125.3° | 120.0° |
O2 | C2 | C1 | H12 | 114.1° | 120.0° |
O2 | C2 | C3 | H3 | 167.3° | 140.0° |
O3 | C3 | C4 | H3 | 120.4° | 120.0° |
O3 | C3 | C4 | O4 | 141.0° | 180.0° |
O3 | C3 | C4 | C5 | 96.7° | 60.0° |
O3 | C3 | C4 | H4 | 23.5° | 60.0° |
C3 | C4 | O4 | C5 | 121.6° | 120.0° |
C3 | C4 | O4 | H4 | 118.2° | 120.0° |
C3 | C4 | C5 | H4 | 118.4° | 120.0° |
C3 | C4 | C5 | O5 | 167.5° | 175.0° |
C4 | C3 | O3 | HO3 | 16.1° | 60.0° |
C3 | C4 | O4 | HO4 | 1.6° | 59.9° |
C3 | C4 | C5 | H51 | 47.5° | 55.0° |
C3 | C4 | C5 | H52 | 72.4° | 65.0° |
O4 | C4 | C5 | H4 | 117.7° | 119.9° |
O4 | C4 | C5 | O5 | 68.6° | 64.9° |
O4 | C4 | C3 | H3 | 98.6° | 60.0° |
O4 | C4 | C5 | H51 | 171.4° | 175.0° |
O4 | C4 | C5 | H52 | 51.6° | 55.0° |
C4 | C5 | O5 | H51 | 120.0° | 120.0° |
C4 | C5 | O5 | H52 | 120.2° | 119.9° |
C5 | C4 | C3 | H3 | 23.7° | 60.0° |
C5 | C4 | O4 | HO4 | 123.3° | 60.1° |
C4 | C5 | H51 | H52 | 120.2° | 120.0° |
C4 | C5 | O5 | HO5 | 16.5° | 180.0° |
O5 | C5 | C4 | H4 | 49.1° | 55.0° |
O5 | C5 | H51 | H52 | 120.2° | 119.9° |
H11 | C1 | O1 | HO1 | 145.6° | 60.0° |
H12 | C1 | O1 | HO1 | 25.0° | 59.9° |
H3 | C3 | O3 | HO3 | 103.1° | 180.0° |
H3 | C3 | C4 | H4 | 143.9° | 180.0° |
H4 | C4 | O4 | HO4 | 116.5° | 180.0° |
H4 | C4 | C5 | H51 | 70.9° | 65.0° |
H4 | C4 | C5 | H52 | 169.3° | 174.9° |
H51 | C5 | O5 | HO5 | 103.5° | 59.9° |
H52 | C5 | O5 | HO5 | 136.7° | 60.1° |