6PG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | O1A | doub | 1.21Å | 1.20Å | |
C1 | O1 | sing | 1.34Å | 1.19Å | |
C2 | C3 | sing | 1.53Å | 1.58Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.41Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O6 | P | sing | 1.61Å | 1.53Å | |
P | O1P | doub | 1.48Å | 1.56Å | |
P | O2P | sing | 1.61Å | 1.56Å | |
P | O3P | sing | 1.61Å | 1.57Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1A | 120.5° | 120.1° |
C2 | C1 | O1 | 119.8° | 120.0° |
C1 | C2 | C3 | 110.8° | 109.5° |
C1 | C2 | O2 | 110.5° | 109.5° |
C1 | C2 | H2 | 108.2° | 109.5° |
O1A | C1 | O1 | 119.7° | 120.0° |
C1 | O1 | HO1 | 119.8° | 120.0° |
C3 | C2 | O2 | 110.6° | 109.4° |
C3 | C2 | H2 | 108.2° | 109.4° |
C2 | C3 | C4 | 111.9° | 109.5° |
C2 | C3 | O3 | 109.5° | 109.4° |
C2 | C3 | H3 | 108.0° | 109.5° |
O2 | C2 | H2 | 108.5° | 109.5° |
C2 | O2 | HO2 | 110.5° | 106.8° |
C4 | C3 | O3 | 110.1° | 109.4° |
C4 | C3 | H3 | 107.4° | 109.5° |
C3 | C4 | C5 | 113.8° | 109.5° |
C3 | C4 | O4 | 109.4° | 109.5° |
C3 | C4 | H4 | 105.8° | 109.4° |
O3 | C3 | H3 | 109.8° | 109.4° |
C3 | O3 | HO3 | 109.5° | 106.9° |
C5 | C4 | O4 | 106.9° | 109.5° |
C5 | C4 | H4 | 108.3° | 109.5° |
C4 | C5 | C6 | 114.5° | 109.5° |
C4 | C5 | O5 | 107.4° | 109.5° |
C4 | C5 | H5 | 106.8° | 109.4° |
O4 | C4 | H4 | 112.8° | 109.4° |
C4 | O4 | HO4 | 109.4° | 106.8° |
C6 | C5 | O5 | 107.1° | 109.5° |
C6 | C5 | H5 | 107.0° | 109.4° |
C5 | C6 | O6 | 109.0° | 109.5° |
C5 | C6 | H61 | 112.4° | 109.5° |
C5 | C6 | H62 | 112.4° | 109.4° |
O5 | C5 | H5 | 114.2° | 109.5° |
C5 | O5 | HO5 | 107.4° | 106.7° |
O6 | C6 | H61 | 112.4° | 109.5° |
O6 | C6 | H62 | 112.4° | 109.5° |
C6 | O6 | P | 115.7° | 106.9° |
H61 | C6 | H62 | 98.0° | 109.3° |
O6 | P | O1P | 108.7° | 109.5° |
O6 | P | O2P | 108.8° | 109.6° |
O6 | P | O3P | 108.9° | 109.5° |
O1P | P | O2P | 110.0° | 109.4° |
O1P | P | O3P | 110.2° | 109.4° |
O2P | P | O3P | 110.2° | 109.5° |
P | O2P | HOP2 | 108.8° | 106.8° |
P | O3P | HOP3 | 108.9° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1A | O1 | 179.7° | 179.9° |
C1 | C2 | C3 | O2 | 122.9° | 120.0° |
C1 | C2 | C3 | H2 | 118.5° | 120.1° |
C1 | C2 | O2 | H2 | 118.5° | 120.1° |
C1 | C2 | C3 | C4 | 120.8° | 179.9° |
C1 | C2 | C3 | O3 | 1.6° | 60.0° |
C1 | C2 | C3 | H3 | 121.2° | 60.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
O1A | C1 | C2 | C3 | 131.0° | 120.0° |
O1A | C1 | C2 | O2 | 8.1° | 0.1° |
O1A | C1 | C2 | H2 | 110.5° | 119.9° |
O1A | C1 | O1 | HO1 | 0.3° | 0.1° |
O1 | C1 | C2 | C3 | 49.4° | 60.0° |
O1 | C1 | C2 | O2 | 172.2° | 180.0° |
O1 | C1 | C2 | H2 | 69.1° | 60.0° |
C3 | C2 | O2 | H2 | 118.5° | 119.9° |
C2 | C3 | C4 | O3 | 122.0° | 120.0° |
C2 | C3 | C4 | H3 | 118.4° | 120.1° |
C2 | C3 | O3 | H3 | 118.5° | 120.0° |
C2 | C3 | C4 | C5 | 148.8° | 180.0° |
C2 | C3 | C4 | O4 | 91.7° | 59.9° |
C2 | C3 | C4 | H4 | 30.1° | 60.0° |
C3 | C2 | O2 | HO2 | 57.0° | 60.1° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 2.1° | 60.0° |
O2 | C2 | C3 | O3 | 124.5° | 60.0° |
O2 | C2 | C3 | H3 | 115.9° | 179.9° |
H2 | C2 | C3 | C4 | 120.7° | 60.0° |
H2 | C2 | C3 | O3 | 116.9° | 180.0° |
H2 | C2 | C3 | H3 | 2.7° | 60.1° |
H2 | C2 | O2 | HO2 | 61.5° | 180.0° |
C4 | C3 | O3 | H3 | 118.1° | 120.0° |
C3 | C4 | C5 | O4 | 120.9° | 120.1° |
C3 | C4 | C5 | H4 | 117.3° | 120.0° |
C3 | C4 | O4 | H4 | 117.5° | 119.9° |
C3 | C4 | C5 | C6 | 177.0° | 180.0° |
C3 | C4 | C5 | O5 | 58.2° | 59.9° |
C3 | C4 | C5 | H5 | 64.7° | 60.0° |
C4 | C3 | O3 | HO3 | 56.6° | 60.0° |
C3 | C4 | O4 | HO4 | 179.9° | 60.1° |
O3 | C3 | C4 | C5 | 89.1° | 60.1° |
O3 | C3 | C4 | O4 | 30.3° | 60.0° |
O3 | C3 | C4 | H4 | 152.1° | 179.9° |
H3 | C3 | C4 | C5 | 30.5° | 59.9° |
H3 | C3 | C4 | O4 | 149.9° | 180.0° |
H3 | C3 | C4 | H4 | 88.3° | 60.1° |
H3 | C3 | O3 | HO3 | 61.5° | 180.0° |
C5 | C4 | O4 | H4 | 118.9° | 120.0° |
C4 | C5 | C6 | O5 | 119.0° | 120.1° |
C4 | C5 | C6 | H5 | 118.1° | 119.9° |
C4 | C5 | O5 | H5 | 118.2° | 119.9° |
C4 | C5 | C6 | O6 | 35.8° | 180.0° |
C4 | C5 | C6 | H61 | 161.0° | 59.9° |
C4 | C5 | C6 | H62 | 89.5° | 60.0° |
C5 | C4 | O4 | HO4 | 56.3° | 60.0° |
C4 | C5 | O5 | HO5 | 179.9° | 60.0° |
O4 | C4 | C5 | C6 | 62.1° | 59.9° |
O4 | C4 | C5 | O5 | 179.1° | 180.0° |
O4 | C4 | C5 | H5 | 56.2° | 60.0° |
H4 | C4 | C5 | C6 | 59.7° | 60.0° |
H4 | C4 | C5 | O5 | 59.1° | 60.1° |
H4 | C4 | C5 | H5 | 178.0° | 180.0° |
H4 | C4 | O4 | HO4 | 62.6° | 180.0° |
C6 | C5 | O5 | H5 | 118.3° | 120.0° |
C5 | C6 | O6 | H61 | 125.2° | 120.1° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 118.3° | 119.9° |
C6 | C5 | O5 | HO5 | 56.6° | 60.1° |
C5 | C6 | O6 | P | 159.8° | 180.0° |
O5 | C5 | C6 | O6 | 83.2° | 59.9° |
O5 | C5 | C6 | H61 | 42.1° | 179.9° |
O5 | C5 | C6 | H62 | 151.5° | 60.1° |
H5 | C5 | C6 | O6 | 153.9° | 60.1° |
H5 | C5 | C6 | H61 | 80.8° | 60.0° |
H5 | C5 | C6 | H62 | 28.6° | 179.9° |
H5 | C5 | O5 | HO5 | 61.8° | 179.9° |
O6 | C6 | H61 | H62 | 118.4° | 120.0° |
C6 | O6 | P | O1P | 48.5° | 60.0° |
C6 | O6 | P | O2P | 71.2° | 180.0° |
C6 | O6 | P | O3P | 168.6° | 59.9° |
H61 | C6 | O6 | P | 74.9° | 59.9° |
H62 | C6 | O6 | P | 34.6° | 60.0° |
O6 | P | O1P | O2P | 119.0° | 120.1° |
O6 | P | O1P | O3P | 119.3° | 120.0° |
O6 | P | O2P | O3P | 119.4° | 120.1° |
O6 | P | O2P | HOP2 | 179.9° | 180.0° |
O6 | P | O3P | HOP3 | 180.0° | 60.1° |
O1P | P | O2P | O3P | 121.7° | 119.9° |
O1P | P | O2P | HOP2 | 61.0° | 60.0° |
O1P | P | O3P | HOP3 | 60.8° | 180.0° |
O2P | P | O3P | HOP3 | 60.8° | 60.1° |
O3P | P | O2P | HOP2 | 60.7° | 59.9° |