ZEE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | sing | 1.43Å | 1.42Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O5 | C1 | sing | 1.43Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
HO1 | O1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | O6 | HO6 | 109.5° | 114.0° |
O6 | C6 | C5 | 108.6° | 109.4° |
O6 | C6 | H61 | 109.7° | 109.4° |
O6 | C6 | H62 | 109.7° | 109.5° |
C5 | C6 | H61 | 109.7° | 109.5° |
C5 | C6 | H62 | 109.7° | 109.5° |
C6 | C5 | O5 | 107.3° | 109.5° |
C6 | C5 | C4 | 113.0° | 109.4° |
C6 | C5 | H5 | 108.3° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.5° |
O5 | C5 | C4 | 110.6° | 109.4° |
O5 | C5 | H5 | 109.5° | 109.5° |
C5 | O5 | C1 | 112.9° | 114.1° |
C4 | C5 | H5 | 108.1° | 109.5° |
C5 | C4 | C3 | 109.8° | 109.2° |
C5 | C4 | O4 | 110.4° | 109.6° |
C5 | C4 | H4 | 108.6° | 109.6° |
O5 | C1 | O1 | 110.7° | 109.4° |
O5 | C1 | C2 | 111.1° | 109.4° |
O5 | C1 | H1 | 109.2° | 109.5° |
O1 | C1 | C2 | 108.7° | 109.5° |
O1 | C1 | H1 | 109.2° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C2 | C1 | H1 | 107.9° | 109.5° |
C1 | C2 | O2 | 109.4° | 109.5° |
C1 | C2 | C3 | 109.6° | 109.2° |
C1 | C2 | H2 | 108.6° | 109.5° |
O2 | C2 | C3 | 110.5° | 109.5° |
O2 | C2 | H2 | 110.1° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 108.7° | 109.6° |
C2 | C3 | O3 | 110.9° | 109.6° |
C2 | C3 | C4 | 111.7° | 109.0° |
C2 | C3 | H3 | 107.5° | 109.5° |
O3 | C3 | C4 | 110.0° | 109.6° |
O3 | C3 | H3 | 109.0° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 107.5° | 109.6° |
C3 | C4 | O4 | 109.3° | 109.5° |
C3 | C4 | H4 | 108.7° | 109.4° |
O4 | C4 | H4 | 110.1° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | H61 | 119.9° | 120.0° |
O6 | C6 | C5 | H62 | 119.9° | 120.0° |
O6 | C6 | H61 | H62 | 120.4° | 120.0° |
O6 | C6 | C5 | O5 | 58.3° | 65.1° |
O6 | C6 | C5 | C4 | 179.5° | 175.0° |
O6 | C6 | C5 | H5 | 59.7° | 55.0° |
HO6 | O6 | C6 | C5 | 180.0° | 180.0° |
HO6 | O6 | C6 | H61 | 60.1° | 60.0° |
HO6 | O6 | C6 | H62 | 60.1° | 60.0° |
C5 | C6 | H61 | H62 | 120.4° | 120.0° |
C6 | C5 | O5 | C4 | 123.7° | 119.9° |
C6 | C5 | O5 | H5 | 117.3° | 120.1° |
C6 | C5 | C4 | H5 | 119.8° | 120.0° |
C6 | C5 | O5 | C1 | 175.4° | 178.9° |
C6 | C5 | C4 | C3 | 175.3° | 177.6° |
C6 | C5 | C4 | O4 | 54.8° | 57.7° |
C6 | C5 | C4 | H4 | 66.0° | 62.5° |
H61 | C6 | C5 | O5 | 178.2° | 175.0° |
H61 | C6 | C5 | C4 | 59.6° | 55.1° |
H61 | C6 | C5 | H5 | 60.1° | 64.9° |
H62 | C6 | C5 | O5 | 61.6° | 54.9° |
H62 | C6 | C5 | C4 | 60.6° | 65.0° |
H62 | C6 | C5 | H5 | 179.6° | 175.0° |
O5 | C5 | C4 | H5 | 119.9° | 120.0° |
C5 | O5 | C1 | O1 | 177.8° | 178.8° |
C5 | O5 | C1 | C2 | 61.4° | 61.2° |
C5 | O5 | C1 | H1 | 57.5° | 58.8° |
O5 | C5 | C4 | C3 | 55.0° | 57.6° |
O5 | C5 | C4 | O4 | 65.5° | 62.3° |
O5 | C5 | C4 | H4 | 173.7° | 177.5° |
C4 | C5 | O5 | C1 | 61.0° | 61.2° |
C5 | C4 | C3 | C2 | 51.8° | 57.0° |
C5 | C4 | C3 | O3 | 175.5° | 176.9° |
C5 | C4 | C3 | O4 | 121.2° | 120.0° |
C5 | C4 | C3 | H4 | 118.7° | 119.9° |
C5 | C4 | C3 | H3 | 65.9° | 62.9° |
C5 | C4 | O4 | H4 | 119.9° | 120.2° |
C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
H5 | C5 | O5 | C1 | 58.1° | 58.8° |
H5 | C5 | C4 | C3 | 64.9° | 62.4° |
H5 | C5 | C4 | O4 | 174.6° | 177.7° |
H5 | C5 | C4 | H4 | 53.8° | 57.5° |
O5 | C1 | O1 | C2 | 122.3° | 119.9° |
O5 | C1 | O1 | H1 | 120.3° | 120.0° |
O5 | C1 | C2 | H1 | 119.6° | 120.0° |
O5 | C1 | C2 | O2 | 65.9° | 62.3° |
O5 | C1 | C2 | C3 | 55.4° | 57.6° |
O5 | C1 | C2 | H2 | 174.0° | 177.6° |
O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
O1 | C1 | C2 | H1 | 118.3° | 120.1° |
O1 | C1 | C2 | O2 | 56.2° | 57.7° |
O1 | C1 | C2 | C3 | 177.4° | 177.6° |
O1 | C1 | C2 | H2 | 64.0° | 62.5° |
C1 | C2 | O2 | C3 | 120.7° | 119.7° |
C1 | C2 | O2 | H2 | 119.3° | 120.1° |
C1 | C2 | C3 | H2 | 118.6° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 175.0° | 176.9° |
C1 | C2 | C3 | C4 | 51.9° | 57.0° |
C1 | C2 | C3 | H3 | 65.9° | 62.9° |
C2 | C1 | O1 | HO1 | 57.8° | 180.0° |
H1 | C1 | C2 | O2 | 174.5° | 177.7° |
H1 | C1 | C2 | C3 | 64.2° | 62.4° |
H1 | C1 | C2 | H2 | 54.3° | 57.6° |
H1 | C1 | O1 | HO1 | 59.7° | 59.9° |
O2 | C2 | C3 | H2 | 120.8° | 120.1° |
O2 | C2 | C3 | O3 | 54.4° | 56.9° |
O2 | C2 | C3 | C4 | 68.8° | 63.0° |
O2 | C2 | C3 | H3 | 173.5° | 177.1° |
C3 | C2 | O2 | HO2 | 59.3° | 179.7° |
C2 | C3 | O3 | C4 | 124.2° | 119.5° |
C2 | C3 | O3 | H3 | 118.2° | 120.1° |
C2 | C3 | C4 | H3 | 117.8° | 119.8° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | O4 | 69.3° | 63.0° |
C2 | C3 | C4 | H4 | 170.5° | 176.9° |
H2 | C2 | O2 | HO2 | 60.7° | 60.1° |
H2 | C2 | C3 | O3 | 66.4° | 63.2° |
H2 | C2 | C3 | C4 | 170.4° | 176.9° |
H2 | C2 | C3 | H3 | 52.7° | 57.0° |
O3 | C3 | C4 | H3 | 118.5° | 120.3° |
O3 | C3 | C4 | O4 | 54.3° | 56.9° |
O3 | C3 | C4 | H4 | 65.8° | 63.2° |
C4 | C3 | O3 | HO3 | 55.9° | 179.5° |
C3 | C4 | O4 | H4 | 119.3° | 120.0° |
C3 | C4 | O4 | HO4 | 59.2° | 60.3° |
H3 | C3 | O3 | HO3 | 61.8° | 60.2° |
H3 | C3 | C4 | O4 | 172.9° | 177.2° |
H3 | C3 | C4 | H4 | 52.7° | 57.1° |
H4 | C4 | O4 | HO4 | 60.1° | 59.8° |