DBC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C5 | sing | 1.43Å | 1.47Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O3 | sing | 1.43Å | 1.48Å | |
C5 | O2 | sing | 1.44Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O3 | C3 | sing | 1.44Å | 1.43Å | |
O2 | C2 | sing | 1.45Å | 1.42Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C2 | C3 | sing | 1.55Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C1 | S1 | sing | 1.81Å | 1.81Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
S1 | HS1 | sing | 1.34Å | 1.30Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | S4 | sing | 1.81Å | 1.83Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
S4 | HS4 | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | O4 | HO4 | 109.5° | 114.0° |
O4 | C5 | O3 | 115.8° | 109.6° |
O4 | C5 | O2 | 111.0° | 109.6° |
O4 | C5 | H5 | 103.4° | 109.6° |
O3 | C5 | O2 | 108.1° | 108.8° |
O3 | C5 | H5 | 106.7° | 109.6° |
C5 | O3 | C3 | 107.3° | 107.2° |
O2 | C5 | H5 | 111.8° | 109.5° |
C5 | O2 | C2 | 106.8° | 104.8° |
O3 | C3 | C2 | 105.4° | 103.1° |
O3 | C3 | C4 | 106.7° | 110.7° |
O3 | C3 | H3 | 116.2° | 110.7° |
O2 | C2 | C1 | 108.0° | 111.0° |
O2 | C2 | C3 | 105.9° | 101.7° |
O2 | C2 | H2 | 114.9° | 111.0° |
C1 | C2 | C3 | 115.1° | 111.0° |
C1 | C2 | H2 | 105.6° | 110.8° |
C2 | C1 | S1 | 112.9° | 109.5° |
C2 | C1 | H11 | 108.3° | 109.5° |
C2 | C1 | H12 | 107.6° | 109.5° |
C3 | C2 | H2 | 107.7° | 111.0° |
C2 | C3 | C4 | 115.7° | 110.7° |
C2 | C3 | H3 | 107.3° | 110.7° |
S1 | C1 | H11 | 108.4° | 109.5° |
S1 | C1 | H12 | 107.6° | 109.5° |
C1 | S1 | HS1 | 109.5° | 103.0° |
H11 | C1 | H12 | 112.2° | 109.5° |
C4 | C3 | H3 | 106.0° | 110.8° |
C3 | C4 | S4 | 112.4° | 109.5° |
C3 | C4 | H41 | 108.5° | 109.4° |
C3 | C4 | H42 | 107.8° | 109.5° |
S4 | C4 | H41 | 108.5° | 109.5° |
S4 | C4 | H42 | 107.8° | 109.5° |
C4 | S4 | HS4 | 109.5° | 103.0° |
H41 | C4 | H42 | 111.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C5 | O3 | O2 | 125.2° | 119.8° |
O4 | C5 | O3 | H5 | 114.4° | 120.4° |
O4 | C5 | O2 | H5 | 114.9° | 120.3° |
O4 | C5 | O3 | C3 | 125.0° | 120.6° |
O4 | C5 | O2 | C2 | 143.9° | 144.2° |
HO4 | O4 | C5 | O3 | 119.0° | 180.0° |
HO4 | O4 | C5 | O2 | 4.7° | 60.6° |
HO4 | O4 | C5 | H5 | 124.8° | 59.6° |
O3 | C5 | O2 | H5 | 117.1° | 119.9° |
O3 | C5 | O2 | C2 | 15.9° | 24.3° |
C5 | O3 | C3 | C2 | 14.9° | 21.4° |
C5 | O3 | C3 | C4 | 138.5° | 139.8° |
C5 | O3 | C3 | H3 | 103.7° | 97.0° |
O2 | C5 | O3 | C3 | 0.2° | 0.7° |
C5 | O2 | C2 | C1 | 148.5° | 154.3° |
C5 | O2 | C2 | C3 | 24.7° | 36.1° |
C5 | O2 | C2 | H2 | 94.0° | 82.0° |
H5 | C5 | O3 | C3 | 120.6° | 119.1° |
H5 | C5 | O2 | C2 | 101.2° | 95.5° |
O3 | C3 | C2 | O2 | 24.9° | 35.6° |
O3 | C3 | C2 | C1 | 144.1° | 153.7° |
O3 | C3 | C2 | C4 | 117.6° | 118.4° |
O3 | C3 | C2 | H3 | 124.4° | 118.4° |
O3 | C3 | C2 | H2 | 98.5° | 82.6° |
O3 | C3 | C4 | H3 | 124.4° | 123.1° |
O3 | C3 | C4 | S4 | 174.8° | 66.4° |
O3 | C3 | C4 | H41 | 65.1° | 173.6° |
O3 | C3 | C4 | H42 | 56.1° | 53.6° |
O2 | C2 | C1 | C3 | 118.0° | 112.4° |
O2 | C2 | C1 | H2 | 123.4° | 123.8° |
O2 | C2 | C3 | H2 | 123.4° | 118.1° |
O2 | C2 | C1 | S1 | 67.2° | 66.5° |
O2 | C2 | C1 | H11 | 172.8° | 173.6° |
O2 | C2 | C1 | H12 | 51.3° | 53.6° |
O2 | C2 | C3 | C4 | 142.5° | 153.9° |
O2 | C2 | C3 | H3 | 99.5° | 82.8° |
C1 | C2 | C3 | H2 | 117.5° | 123.7° |
C2 | C1 | S1 | H11 | 120.0° | 120.0° |
C2 | C1 | S1 | H12 | 118.5° | 120.0° |
C2 | C1 | H11 | H12 | 118.6° | 120.0° |
C2 | C1 | S1 | HS1 | 24.4° | 180.0° |
C1 | C2 | C3 | C4 | 98.3° | 87.9° |
C1 | C2 | C3 | H3 | 19.7° | 35.3° |
C3 | C2 | C1 | S1 | 174.9° | 178.8° |
C3 | C2 | C1 | H11 | 54.8° | 61.2° |
C3 | C2 | C1 | H12 | 66.6° | 58.8° |
C2 | C3 | C4 | H3 | 118.7° | 123.2° |
C2 | C3 | C4 | S4 | 68.3° | 179.9° |
C2 | C3 | C4 | H41 | 51.8° | 59.9° |
C2 | C3 | C4 | H42 | 173.0° | 60.1° |
H2 | C2 | C1 | S1 | 56.2° | 57.3° |
H2 | C2 | C1 | H11 | 63.8° | 62.6° |
H2 | C2 | C1 | H12 | 174.7° | 177.4° |
H2 | C2 | C3 | C4 | 19.1° | 35.8° |
H2 | C2 | C3 | H3 | 137.1° | 159.1° |
S1 | C1 | H11 | H12 | 118.6° | 120.0° |
H11 | C1 | S1 | HS1 | 144.4° | 60.0° |
H12 | C1 | S1 | HS1 | 94.1° | 60.0° |
C3 | C4 | S4 | H41 | 120.0° | 119.9° |
C3 | C4 | S4 | H42 | 118.7° | 120.0° |
C3 | C4 | H41 | H42 | 118.8° | 120.0° |
C3 | C4 | S4 | HS4 | 70.7° | 180.0° |
H3 | C3 | C4 | S4 | 50.4° | 56.7° |
H3 | C3 | C4 | H41 | 170.5° | 63.3° |
H3 | C3 | C4 | H42 | 68.3° | 176.7° |
S4 | C4 | H41 | H42 | 118.8° | 120.0° |
H41 | C4 | S4 | HS4 | 49.3° | 60.0° |
H42 | C4 | S4 | HS4 | 170.5° | 60.0° |