PZU
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 | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
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 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.56Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 111.6° | 109.4° |
C2 | C1 | H1 | 108.3° | 109.5° |
C2 | C1 | O1 | 108.7° | 109.5° |
C1 | C2 | O2 | 109.3° | 109.5° |
C1 | C2 | C3 | 111.5° | 109.2° |
C1 | C2 | H2 | 108.5° | 109.5° |
O5 | C1 | H1 | 108.3° | 109.5° |
O5 | C1 | O1 | 108.8° | 109.5° |
C1 | O5 | C5 | 115.1° | 114.1° |
H1 | C1 | O1 | 111.1° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O2 | C2 | C3 | 110.4° | 109.5° |
O2 | C2 | H2 | 109.6° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 107.4° | 109.6° |
C2 | C3 | C4 | 109.8° | 109.0° |
C2 | C3 | H31 | 109.4° | 109.5° |
C2 | C3 | H32 | 109.4° | 109.5° |
C4 | C3 | H31 | 109.4° | 109.5° |
C4 | C3 | H32 | 109.4° | 109.6° |
C3 | C4 | O4 | 110.8° | 109.5° |
C3 | C4 | C5 | 109.9° | 109.2° |
C3 | C4 | H4 | 108.3° | 109.5° |
H31 | C3 | H32 | 109.6° | 109.7° |
O4 | C4 | C5 | 109.4° | 109.6° |
O4 | C4 | H4 | 108.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | H4 | 109.7° | 109.6° |
C4 | C5 | O5 | 109.1° | 109.4° |
C4 | C5 | C6 | 113.5° | 109.5° |
C4 | C5 | H5 | 106.4° | 109.5° |
O5 | C5 | C6 | 107.3° | 109.5° |
O5 | C5 | H5 | 112.6° | 109.5° |
C6 | C5 | H5 | 108.1° | 109.4° |
C5 | C6 | H61 | 109.5° | 109.4° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.4° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.5° |
H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | H1 | 119.2° | 120.0° |
C2 | C1 | O5 | O1 | 120.0° | 120.0° |
C2 | C1 | H1 | O1 | 119.4° | 120.0° |
C1 | C2 | O2 | C3 | 123.1° | 119.7° |
C1 | C2 | O2 | H2 | 118.8° | 120.1° |
C1 | C2 | C3 | H2 | 118.8° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | C4 | 51.5° | 56.9° |
C1 | C2 | C3 | H31 | 68.5° | 62.9° |
C1 | C2 | C3 | H32 | 171.5° | 176.8° |
C2 | C1 | O5 | C5 | 55.6° | 61.1° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
O5 | C1 | H1 | O1 | 119.4° | 120.0° |
O5 | C1 | C2 | O2 | 172.8° | 177.5° |
O5 | C1 | C2 | C3 | 50.4° | 57.6° |
O5 | C1 | C2 | H2 | 67.7° | 62.4° |
C1 | O5 | C5 | C4 | 60.0° | 61.1° |
C1 | O5 | C5 | C6 | 176.7° | 178.9° |
C1 | O5 | C5 | H5 | 57.9° | 58.9° |
O5 | C1 | O1 | HO1 | 58.3° | 60.0° |
H1 | C1 | C2 | O2 | 68.1° | 62.5° |
H1 | C1 | C2 | C3 | 169.5° | 177.6° |
H1 | C1 | C2 | H2 | 51.4° | 57.6° |
H1 | C1 | O5 | C5 | 174.8° | 178.8° |
H1 | C1 | O1 | HO1 | 60.8° | 60.0° |
O1 | C1 | C2 | O2 | 52.8° | 57.6° |
O1 | C1 | C2 | C3 | 69.6° | 62.4° |
O1 | C1 | C2 | H2 | 172.3° | 177.6° |
O1 | C1 | O5 | C5 | 64.3° | 58.8° |
O2 | C2 | C3 | H2 | 119.5° | 120.1° |
O2 | C2 | C3 | C4 | 173.3° | 176.9° |
O2 | C2 | C3 | H31 | 53.3° | 57.1° |
O2 | C2 | C3 | H32 | 66.7° | 63.2° |
C3 | C2 | O2 | HO2 | 56.9° | 179.7° |
C2 | C3 | C4 | H31 | 120.0° | 119.8° |
C2 | C3 | C4 | H32 | 120.0° | 119.8° |
C2 | C3 | H31 | H32 | 119.8° | 120.2° |
C2 | C3 | C4 | O4 | 177.2° | 176.9° |
C2 | C3 | C4 | C5 | 56.2° | 56.9° |
C2 | C3 | C4 | H4 | 63.6° | 63.0° |
H2 | C2 | O2 | HO2 | 61.1° | 60.1° |
H2 | C2 | C3 | C4 | 67.2° | 63.0° |
H2 | C2 | C3 | H31 | 172.8° | 177.2° |
H2 | C2 | C3 | H32 | 52.8° | 56.9° |
C4 | C3 | H31 | H32 | 119.9° | 120.3° |
C3 | C4 | O4 | C5 | 121.3° | 119.7° |
C3 | C4 | O4 | H4 | 118.9° | 120.1° |
C3 | C4 | C5 | H4 | 118.9° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 58.9° | 57.6° |
C3 | C4 | C5 | C6 | 178.5° | 177.6° |
C3 | C4 | C5 | H5 | 62.7° | 62.4° |
H31 | C3 | C4 | O4 | 57.2° | 57.1° |
H31 | C3 | C4 | C5 | 63.8° | 62.9° |
H31 | C3 | C4 | H4 | 176.4° | 177.2° |
H32 | C3 | C4 | O4 | 62.8° | 63.3° |
H32 | C3 | C4 | C5 | 176.2° | 176.8° |
H32 | C3 | C4 | H4 | 56.4° | 56.8° |
O4 | C4 | C5 | H4 | 119.2° | 120.2° |
O4 | C4 | C5 | O5 | 179.2° | 177.5° |
O4 | C4 | C5 | C6 | 59.6° | 62.5° |
O4 | C4 | C5 | H5 | 59.1° | 57.5° |
C5 | C4 | O4 | HO4 | 58.7° | 179.7° |
C4 | C5 | O5 | C6 | 123.3° | 120.0° |
C4 | C5 | O5 | H5 | 117.8° | 120.0° |
C4 | C5 | C6 | H5 | 117.7° | 120.0° |
C4 | C5 | C6 | H61 | 180.0° | 60.0° |
C4 | C5 | C6 | H62 | 60.0° | 180.0° |
C4 | C5 | C6 | H63 | 60.0° | 59.9° |
H4 | C4 | O4 | HO4 | 61.1° | 60.1° |
H4 | C4 | C5 | O5 | 60.0° | 62.4° |
H4 | C4 | C5 | C6 | 59.6° | 57.7° |
H4 | C4 | C5 | H5 | 178.4° | 177.7° |
O5 | C5 | C6 | H5 | 121.7° | 120.0° |
O5 | C5 | C6 | H61 | 59.4° | 60.0° |
O5 | C5 | C6 | H62 | 179.4° | 60.0° |
O5 | C5 | C6 | H63 | 60.6° | 179.9° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
H5 | C5 | C6 | H61 | 62.3° | NaN° |
H5 | C5 | C6 | H62 | 57.7° | 60.0° |
H5 | C5 | C6 | H63 | 177.7° | 60.0° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |