SBT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.56Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C1 | H13 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.59Å | |
C2 | OH | sing | 1.43Å | 1.48Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C4 | H43 | sing | 1.09Å | 1.12Å | |
OH | HO | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11 | 110.5° | 109.5° |
C2 | C1 | H12 | 111.9° | 109.5° |
C2 | C1 | H13 | 111.8° | 109.4° |
C1 | C2 | C3 | 110.4° | 109.5° |
C1 | C2 | OH | 108.7° | 109.5° |
C1 | C2 | H2 | 110.3° | 109.5° |
H11 | C1 | H12 | 111.9° | 109.6° |
H11 | C1 | H13 | 111.8° | 109.5° |
H12 | C1 | H13 | 98.5° | 109.4° |
C3 | C2 | OH | 112.3° | 109.5° |
C3 | C2 | H2 | 106.6° | 109.4° |
C2 | C3 | C4 | 109.6° | 109.5° |
C2 | C3 | H31 | 112.2° | 109.5° |
C2 | C3 | H32 | 112.2° | 109.6° |
OH | C2 | H2 | 108.4° | 109.4° |
C2 | OH | HO | 108.7° | 106.8° |
C4 | C3 | H31 | 112.2° | 109.4° |
C4 | C3 | H32 | 112.2° | 109.5° |
C3 | C4 | H41 | 109.6° | 109.5° |
C3 | C4 | H42 | 112.2° | 109.5° |
C3 | C4 | H43 | 112.1° | 109.5° |
H31 | C3 | H32 | 98.2° | 109.4° |
H41 | C4 | H42 | 112.2° | 109.5° |
H41 | C4 | H43 | 112.1° | 109.4° |
H42 | C4 | H43 | 98.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11 | H12 | 125.3° | 120.1° |
C2 | C1 | H11 | H13 | 125.2° | 119.9° |
C2 | C1 | H12 | H13 | 117.7° | 119.9° |
C1 | C2 | C3 | OH | 121.6° | 120.1° |
C1 | C2 | C3 | H2 | 119.9° | 120.0° |
C1 | C2 | OH | H2 | 120.0° | 120.0° |
C1 | C2 | C3 | C4 | 175.5° | NaN° |
C1 | C2 | C3 | H31 | 50.2° | 60.1° |
C1 | C2 | C3 | H32 | 59.2° | 59.9° |
C1 | C2 | OH | HO | 180.0° | 60.0° |
H11 | C1 | H12 | H13 | 117.7° | 120.1° |
H11 | C1 | C2 | C3 | 180.0° | 59.9° |
H11 | C1 | C2 | OH | 56.4° | 180.0° |
H11 | C1 | C2 | H2 | 62.4° | 60.1° |
H12 | C1 | C2 | C3 | 54.7° | 180.0° |
H12 | C1 | C2 | OH | 69.0° | 59.9° |
H12 | C1 | C2 | H2 | 172.2° | 60.1° |
H13 | C1 | C2 | C3 | 54.8° | 60.1° |
H13 | C1 | C2 | OH | 178.4° | 60.0° |
H13 | C1 | C2 | H2 | 62.8° | 180.0° |
C3 | C2 | OH | H2 | 117.5° | 119.9° |
C2 | C3 | C4 | H31 | 125.3° | 120.0° |
C2 | C3 | C4 | H32 | 125.3° | 120.1° |
C2 | C3 | H31 | H32 | 118.1° | 120.1° |
C2 | C3 | C4 | H41 | 180.0° | 180.0° |
C2 | C3 | C4 | H42 | 54.7° | 59.9° |
C2 | C3 | C4 | H43 | 54.8° | 60.1° |
C3 | C2 | OH | HO | 57.5° | 60.0° |
OH | C2 | C3 | C4 | 62.9° | 59.9° |
OH | C2 | C3 | H31 | 171.8° | 60.0° |
OH | C2 | C3 | H32 | 62.3° | 180.0° |
H2 | C2 | C3 | C4 | 55.6° | 60.0° |
H2 | C2 | C3 | H31 | 69.6° | 180.0° |
H2 | C2 | C3 | H32 | 179.1° | 60.0° |
H2 | C2 | OH | HO | 60.0° | 180.0° |
C4 | C3 | H31 | H32 | 118.1° | 119.9° |
C3 | C4 | H41 | H42 | 125.3° | 120.1° |
C3 | C4 | H41 | H43 | 125.2° | 120.0° |
C3 | C4 | H42 | H43 | 118.1° | 120.0° |
H31 | C3 | C4 | H41 | 54.7° | 60.0° |
H31 | C3 | C4 | H42 | 180.0° | 60.1° |
H31 | C3 | C4 | H43 | 70.5° | 180.0° |
H32 | C3 | C4 | H41 | 54.7° | 59.9° |
H32 | C3 | C4 | H42 | 70.6° | 180.0° |
H32 | C3 | C4 | H43 | 179.9° | 60.1° |
H41 | C4 | H42 | H43 | 118.0° | 119.9° |