CBG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.24Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C1 | H11 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C3 | H33 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 121.7° | 120.0° |
O1 | C1 | H11 | 108.9° | 120.0° |
C2 | C1 | H11 | 129.4° | 120.0° |
C1 | C2 | C3 | 114.0° | 109.5° |
C1 | C2 | H21 | 110.6° | 109.5° |
C1 | C2 | H22 | 110.6° | 109.4° |
C3 | C2 | H21 | 110.6° | 109.5° |
C3 | C2 | H22 | 110.6° | 109.4° |
C2 | C3 | H31 | 110.6° | 109.5° |
C2 | C3 | H32 | 114.0° | 109.5° |
C2 | C3 | H33 | 110.6° | 109.4° |
H21 | C2 | H22 | 99.6° | 109.5° |
H31 | C3 | H32 | 110.6° | 109.5° |
H31 | C3 | H33 | 99.7° | 109.5° |
H32 | C3 | H33 | 110.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H11 | 180.0° | 180.0° |
O1 | C1 | C2 | C3 | 32.6° | 125.0° |
O1 | C1 | C2 | H21 | 157.9° | 5.0° |
O1 | C1 | C2 | H22 | 92.7° | 115.0° |
C1 | C2 | C3 | H21 | 125.3° | 120.0° |
C1 | C2 | C3 | H22 | 125.3° | 120.0° |
C1 | C2 | H21 | H22 | 116.4° | 120.0° |
C1 | C2 | C3 | H31 | 54.7° | 60.0° |
C1 | C2 | C3 | H32 | 180.0° | 180.0° |
C1 | C2 | C3 | H33 | 54.7° | 60.0° |
H11 | C1 | C2 | C3 | 147.4° | 54.9° |
H11 | C1 | C2 | H21 | 22.1° | 175.0° |
H11 | C1 | C2 | H22 | 87.3° | 65.0° |
C3 | C2 | H21 | H22 | 116.4° | 120.0° |
C2 | C3 | H31 | H32 | 127.2° | 120.0° |
C2 | C3 | H31 | H33 | 116.4° | 120.0° |
C2 | C3 | H32 | H33 | 125.3° | 120.0° |
H21 | C2 | C3 | H31 | 70.6° | 180.0° |
H21 | C2 | C3 | H32 | 54.7° | 60.0° |
H21 | C2 | C3 | H33 | 180.0° | 60.0° |
H22 | C2 | C3 | H31 | 180.0° | 60.0° |
H22 | C2 | C3 | H32 | 54.7° | 60.0° |
H22 | C2 | C3 | H33 | 70.6° | 180.0° |
H31 | C3 | H32 | H33 | 109.5° | 120.0° |