GG6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | sing | 1.42Å | 1.44Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.52Å | 1.56Å | |
C2 | C1 | sing | 1.53Å | 1.57Å | |
C2 | H2 | sing | 1.10Å | 1.10Å | |
C3 | H31 | sing | 1.10Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H33 | sing | 1.09Å | 1.10Å | |
C1 | O2 | sing | 1.42Å | 1.44Å | |
C1 | P | sing | 1.79Å | 1.79Å | |
C1 | H1 | sing | 1.10Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
P | O3 | doub | 1.50Å | 1.58Å | |
P | O4 | sing | 1.62Å | 1.44Å | |
P | O5 | sing | 1.62Å | 1.57Å | |
O4 | HO4 | sing | 0.98Å | 0.95Å | |
O5 | HO5 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O1 | HO1 | 109.5° | 106.7° |
O1 | C2 | C3 | 109.3° | 109.4° |
O1 | C2 | C1 | 111.5° | 108.4° |
O1 | C2 | H2 | 108.1° | 107.6° |
C3 | C2 | C1 | 109.1° | 114.4° |
C3 | C2 | H2 | 110.5° | 108.2° |
C2 | C3 | H31 | 109.5° | 110.0° |
C2 | C3 | H32 | 109.5° | 111.8° |
C2 | C3 | H33 | 109.5° | 111.4° |
C1 | C2 | H2 | 108.3° | 108.6° |
C2 | C1 | O2 | 114.2° | 109.0° |
C2 | C1 | P | 113.0° | 117.8° |
C2 | C1 | H1 | 102.9° | 108.7° |
H31 | C3 | H32 | 109.5° | 108.2° |
H31 | C3 | H33 | 109.4° | 106.0° |
H32 | C3 | H33 | 109.5° | 109.2° |
O2 | C1 | P | 107.4° | 104.3° |
O2 | C1 | H1 | 109.0° | 108.1° |
C1 | O2 | HO2 | 109.5° | 107.5° |
P | C1 | H1 | 110.3° | 108.5° |
C1 | P | O3 | 108.8° | 115.7° |
C1 | P | O4 | 107.4° | 103.1° |
C1 | P | O5 | 112.0° | 104.0° |
O3 | P | O4 | 109.4° | 114.5° |
O3 | P | O5 | 109.8° | 115.2° |
O4 | P | O5 | 109.3° | 102.8° |
P | O4 | HO4 | 109.5° | 118.9° |
P | O5 | HO5 | 109.5° | 119.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | C3 | C1 | 122.2° | 121.9° |
O1 | C2 | C3 | H2 | 118.8° | 117.0° |
O1 | C2 | C1 | H2 | 118.8° | 116.7° |
O1 | C2 | C3 | H31 | 166.2° | 169.9° |
O1 | C2 | C3 | H32 | 73.8° | 49.6° |
O1 | C2 | C3 | H33 | 46.2° | 72.9° |
O1 | C2 | C1 | O2 | 62.5° | 64.8° |
O1 | C2 | C1 | P | 60.6° | 53.7° |
O1 | C2 | C1 | H1 | 179.6° | 177.6° |
HO1 | O1 | C2 | C3 | 67.6° | 98.0° |
HO1 | O1 | C2 | C1 | 53.1° | 27.4° |
HO1 | O1 | C2 | H2 | 172.0° | 144.7° |
C3 | C2 | C1 | H2 | 120.3° | 120.9° |
C2 | C3 | H31 | H32 | 120.0° | 122.4° |
C2 | C3 | H31 | H33 | 120.0° | 120.5° |
C2 | C3 | H32 | H33 | 120.0° | 123.7° |
C3 | C2 | C1 | O2 | 58.4° | 57.6° |
C3 | C2 | C1 | P | 178.5° | 176.1° |
C3 | C2 | C1 | H1 | 59.5° | 60.0° |
C1 | C2 | C3 | H31 | 43.9° | 68.2° |
C1 | C2 | C3 | H32 | 163.9° | 171.5° |
C1 | C2 | C3 | H33 | 76.0° | 49.0° |
C2 | C1 | O2 | P | 126.1° | 126.6° |
C2 | C1 | O2 | H1 | 114.4° | 118.1° |
C2 | C1 | P | H1 | 114.5° | 124.0° |
C2 | C1 | O2 | HO2 | 126.3° | 121.9° |
C2 | C1 | P | O3 | 51.9° | 60.0° |
C2 | C1 | P | O4 | 170.2° | 65.7° |
C2 | C1 | P | O5 | 69.8° | 172.7° |
H2 | C2 | C3 | H31 | 75.0° | 52.9° |
H2 | C2 | C3 | H32 | 45.0° | 67.3° |
H2 | C2 | C3 | H33 | 165.0° | 170.1° |
H2 | C2 | C1 | O2 | 178.7° | 178.6° |
H2 | C2 | C1 | P | 58.2° | 63.0° |
H2 | C2 | C1 | H1 | 60.8° | 60.9° |
H31 | C3 | H32 | H33 | 119.9° | 114.9° |
O2 | C1 | P | H1 | 118.6° | 115.0° |
O2 | C1 | P | O3 | 178.7° | 61.0° |
O2 | C1 | P | O4 | 63.0° | 173.3° |
O2 | C1 | P | O5 | 57.1° | 66.3° |
P | C1 | O2 | HO2 | 107.6° | 111.4° |
C1 | P | O3 | O4 | 117.1° | 119.7° |
C1 | P | O3 | O5 | 123.0° | 121.4° |
C1 | P | O4 | O5 | 121.8° | 107.9° |
C1 | P | O4 | HO4 | 149.6° | 177.7° |
C1 | P | O5 | HO5 | 67.6° | 178.2° |
H1 | C1 | O2 | HO2 | 11.9° | 3.9° |
H1 | C1 | P | O3 | 62.7° | 176.0° |
H1 | C1 | P | O4 | 55.7° | 58.3° |
H1 | C1 | P | O5 | 175.7° | 48.7° |
O3 | P | O4 | O5 | 120.3° | 125.6° |
O3 | P | O4 | HO4 | 92.5° | 51.2° |
O3 | P | O5 | HO5 | 171.4° | 50.7° |
O4 | P | O5 | HO5 | 51.4° | 74.5° |
O5 | P | O4 | HO4 | 27.8° | 74.4° |