HBS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C4 | H43 | sing | 1.09Å | 1.10Å | |
C3 | O7 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.51Å | 1.52Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C2 | C1 | sing | 1.51Å | 1.50Å | |
C2 | O2 | doub | 1.21Å | 1.24Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C4 | H41 | 109.5° | 109.5° |
C3 | C4 | H42 | 109.5° | 109.4° |
C3 | C4 | H43 | 109.4° | 109.5° |
C4 | C3 | O7 | 106.9° | 109.5° |
C4 | C3 | C2 | 113.0° | 109.4° |
C4 | C3 | H3 | 109.4° | 109.4° |
H41 | C4 | H42 | 109.4° | 109.5° |
H41 | C4 | H43 | 109.5° | 109.5° |
H42 | C4 | H43 | 109.5° | 109.4° |
O7 | C3 | C2 | 111.2° | 109.5° |
O7 | C3 | H3 | 111.3° | 109.5° |
C3 | O7 | HO7 | 109.5° | 114.0° |
C2 | C3 | H3 | 105.0° | 109.5° |
C3 | C2 | C1 | 119.8° | 120.1° |
C3 | C2 | O2 | 120.3° | 120.0° |
C1 | C2 | O2 | 119.8° | 119.9° |
C2 | C1 | H11 | 109.5° | 109.4° |
C2 | C1 | H12 | 109.5° | 109.5° |
C2 | C1 | H13 | 109.5° | 109.5° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.5° | 109.4° |
H12 | C1 | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C4 | H41 | H42 | 120.0° | 120.0° |
C3 | C4 | H41 | H43 | 120.0° | 120.1° |
C3 | C4 | H42 | H43 | 120.0° | 120.0° |
C4 | C3 | O7 | C2 | 123.8° | 120.0° |
C4 | C3 | O7 | H3 | 119.5° | 120.0° |
C4 | C3 | C2 | H3 | 119.2° | 119.9° |
C4 | C3 | O7 | HO7 | 180.0° | 60.0° |
C4 | C3 | C2 | C1 | 64.3° | 75.0° |
C4 | C3 | C2 | O2 | 117.2° | 105.0° |
H41 | C4 | H42 | H43 | 120.0° | 120.0° |
H41 | C4 | C3 | O7 | 180.0° | 180.0° |
H41 | C4 | C3 | C2 | 57.4° | 60.0° |
H41 | C4 | C3 | H3 | 59.3° | 60.0° |
H42 | C4 | C3 | O7 | 60.0° | 60.0° |
H42 | C4 | C3 | C2 | 177.3° | 180.0° |
H42 | C4 | C3 | H3 | 60.7° | 60.1° |
H43 | C4 | C3 | O7 | 60.0° | 59.9° |
H43 | C4 | C3 | C2 | 62.7° | 60.1° |
H43 | C4 | C3 | H3 | 179.3° | 180.0° |
O7 | C3 | C2 | H3 | 120.5° | 120.1° |
O7 | C3 | C2 | C1 | 56.0° | 165.0° |
O7 | C3 | C2 | O2 | 122.6° | 15.0° |
C2 | C3 | O7 | HO7 | 56.2° | 180.0° |
C3 | C2 | C1 | O2 | 178.6° | 180.0° |
C3 | C2 | C1 | H11 | 178.6° | 0.0° |
C3 | C2 | C1 | H12 | 61.4° | 120.0° |
C3 | C2 | C1 | H13 | 58.6° | 120.0° |
H3 | C3 | O7 | HO7 | 60.5° | 60.0° |
H3 | C3 | C2 | C1 | 176.5° | 45.0° |
H3 | C3 | C2 | O2 | 2.1° | 135.1° |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C2 | C1 | H11 | H13 | 120.0° | 120.0° |
C2 | C1 | H12 | H13 | 120.0° | 120.0° |
O2 | C2 | C1 | H11 | 0.0° | 180.0° |
O2 | C2 | C1 | H12 | 120.0° | 60.0° |
O2 | C2 | C1 | H13 | 120.0° | 60.1° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |