GAF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | F2 | sing | 1.40Å | 1.39Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O6 | HO6 | 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 | O5 | 110.3° | 109.7° |
C2 | C1 | O1 | 107.7° | 109.3° |
C2 | C1 | H1 | 111.9° | 109.4° |
C1 | C2 | F2 | 111.7° | 109.5° |
C1 | C2 | C3 | 108.2° | 109.1° |
C1 | C2 | H2 | 109.1° | 109.5° |
O5 | C1 | O1 | 108.3° | 109.5° |
O5 | C1 | H1 | 111.9° | 109.4° |
C1 | O5 | C5 | 115.1° | 107.6° |
O1 | C1 | H1 | 106.5° | 109.5° |
C1 | O1 | HO1 | 107.7° | 106.8° |
F2 | C2 | C3 | 109.4° | 109.7° |
F2 | C2 | H2 | 109.1° | 109.5° |
C3 | C2 | H2 | 109.2° | 109.6° |
C2 | C3 | O3 | 107.4° | 109.6° |
C2 | C3 | C4 | 111.1° | 108.6° |
C2 | C3 | H3 | 109.0° | 109.6° |
O3 | C3 | C4 | 111.2° | 109.7° |
O3 | C3 | H3 | 109.1° | 109.6° |
C3 | O3 | HO3 | 107.4° | 106.8° |
C4 | C3 | H3 | 109.0° | 109.7° |
C3 | C4 | O4 | 106.4° | 109.6° |
C3 | C4 | C5 | 108.8° | 109.0° |
C3 | C4 | H4 | 110.2° | 109.5° |
O4 | C4 | C5 | 111.0° | 109.8° |
O4 | C4 | H4 | 110.2° | 109.5° |
C4 | O4 | HO4 | 106.4° | 106.8° |
C5 | C4 | H4 | 110.2° | 109.5° |
C4 | C5 | O5 | 109.2° | 109.7° |
C4 | C5 | C6 | 115.2° | 109.4° |
C4 | C5 | H5 | 108.1° | 109.4° |
O5 | C5 | C6 | 107.9° | 109.4° |
O5 | C5 | H5 | 108.1° | 109.5° |
C6 | C5 | H5 | 108.1° | 109.4° |
C5 | C6 | O6 | 108.1° | 109.5° |
C5 | C6 | H61 | 112.7° | 109.5° |
C5 | C6 | H62 | 112.7° | 109.5° |
O6 | C6 | H61 | 112.7° | 109.5° |
O6 | C6 | H62 | 112.7° | 109.5° |
C6 | O6 | HO6 | 108.1° | 106.9° |
H61 | C6 | H62 | 97.7° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | O1 | 117.6° | 120.0° |
C2 | C1 | O5 | H1 | 125.2° | 120.1° |
C2 | C1 | O1 | H1 | 120.1° | 119.9° |
C1 | C2 | F2 | C3 | 119.8° | 119.6° |
C1 | C2 | F2 | H2 | 120.8° | 120.1° |
C1 | C2 | C3 | H2 | 118.7° | 119.9° |
C1 | C2 | C3 | O3 | 178.5° | 173.6° |
C1 | C2 | C3 | C4 | 56.7° | 53.8° |
C1 | C2 | C3 | H3 | 63.5° | 66.0° |
C2 | C1 | O5 | C5 | 60.4° | 67.6° |
C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
O5 | C1 | O1 | H1 | 120.5° | 119.9° |
O5 | C1 | C2 | F2 | 177.1° | 178.7° |
O5 | C1 | C2 | C3 | 56.6° | 61.2° |
O5 | C1 | C2 | H2 | 62.1° | 58.7° |
C1 | O5 | C5 | C4 | 59.5° | 67.7° |
C1 | O5 | C5 | C6 | 174.6° | 172.2° |
C1 | O5 | C5 | H5 | 57.9° | 52.3° |
O5 | C1 | O1 | HO1 | 60.7° | 60.1° |
O1 | C1 | C2 | F2 | 59.1° | 61.2° |
O1 | C1 | C2 | C3 | 61.4° | 58.8° |
O1 | C1 | C2 | H2 | 179.9° | 178.7° |
O1 | C1 | O5 | C5 | 57.2° | 52.4° |
H1 | C1 | C2 | F2 | 57.6° | 58.7° |
H1 | C1 | C2 | C3 | 178.1° | 178.7° |
H1 | C1 | C2 | H2 | 63.2° | 61.4° |
H1 | C1 | O5 | C5 | 174.4° | 172.3° |
H1 | C1 | O1 | HO1 | 59.8° | 59.8° |
F2 | C2 | C3 | H2 | 119.4° | 120.2° |
F2 | C2 | C3 | O3 | 59.6° | 66.4° |
F2 | C2 | C3 | C4 | 178.7° | 173.7° |
F2 | C2 | C3 | H3 | 58.4° | 53.9° |
C2 | C3 | O3 | C4 | 121.7° | 119.2° |
C2 | C3 | O3 | H3 | 118.0° | 120.3° |
C2 | C3 | C4 | H3 | 120.2° | 119.7° |
C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
C2 | C3 | C4 | O4 | 62.9° | 66.3° |
C2 | C3 | C4 | C5 | 56.8° | 53.8° |
C2 | C3 | C4 | H4 | 177.6° | 173.6° |
H2 | C2 | C3 | O3 | 59.8° | 53.8° |
H2 | C2 | C3 | C4 | 62.0° | 66.1° |
H2 | C2 | C3 | H3 | 177.8° | 174.1° |
O3 | C3 | C4 | H3 | 120.3° | 120.4° |
O3 | C3 | C4 | O4 | 56.6° | 53.5° |
O3 | C3 | C4 | C5 | 176.3° | 173.7° |
O3 | C3 | C4 | H4 | 62.8° | 66.6° |
C4 | C3 | O3 | HO3 | 58.3° | 179.1° |
C3 | C4 | O4 | C5 | 118.2° | 119.7° |
C3 | C4 | O4 | H4 | 119.4° | 120.1° |
C3 | C4 | C5 | H4 | 120.8° | 119.8° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 55.3° | 61.4° |
C3 | C4 | C5 | C6 | 176.8° | 178.5° |
C3 | C4 | C5 | H5 | 62.1° | 58.7° |
H3 | C3 | O3 | HO3 | 62.0° | 60.4° |
H3 | C3 | C4 | O4 | 176.9° | 174.0° |
H3 | C3 | C4 | C5 | 63.4° | 65.9° |
H3 | C3 | C4 | H4 | 57.4° | 53.9° |
O4 | C4 | C5 | H4 | 122.4° | 120.2° |
O4 | C4 | C5 | O5 | 61.5° | 58.6° |
O4 | C4 | C5 | C6 | 60.0° | 61.4° |
O4 | C4 | C5 | H5 | 178.9° | 178.7° |
C5 | C4 | O4 | HO4 | 61.8° | 179.7° |
C4 | C5 | O5 | C6 | 125.9° | 120.1° |
C4 | C5 | O5 | H5 | 117.4° | 120.0° |
C4 | C5 | C6 | H5 | 121.0° | 119.8° |
C4 | C5 | C6 | O6 | 85.2° | 179.9° |
C4 | C5 | C6 | H61 | 40.0° | 60.1° |
C4 | C5 | C6 | H62 | 149.5° | 59.8° |
H4 | C4 | O4 | HO4 | 60.6° | 60.1° |
H4 | C4 | C5 | O5 | 176.1° | 178.8° |
H4 | C4 | C5 | C6 | 62.3° | 58.7° |
H4 | C4 | C5 | H5 | 58.7° | 61.1° |
O5 | C5 | C6 | H5 | 116.7° | 120.0° |
O5 | C5 | C6 | O6 | 37.0° | 59.9° |
O5 | C5 | C6 | H61 | 162.3° | 60.1° |
O5 | C5 | C6 | H62 | 88.2° | 180.0° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.1° |
C5 | C6 | H61 | H62 | 118.6° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 153.7° | 60.1° |
H5 | C5 | C6 | H61 | 81.0° | 179.9° |
H5 | C5 | C6 | H62 | 28.5° | 60.0° |
O6 | C6 | H61 | H62 | 118.6° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 59.9° |