AFP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P1 | O1P | doub | 1.48Å | 1.48Å | |
P1 | O2P | sing | 1.61Å | 1.49Å | |
P1 | O3P | sing | 1.61Å | 1.59Å | |
P1 | O1 | sing | 1.61Å | 1.60Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
O1 | C1 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | O2 | sing | 1.43Å | 1.40Å | |
C2 | C3 | sing | 1.54Å | 1.52Å | |
C2 | O5 | sing | 1.44Å | 1.45Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.54Å | 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 | 1.54Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.45Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | P6 | sing | 1.61Å | 1.63Å | |
P6 | O4P | doub | 1.48Å | 1.52Å | |
P6 | O5P | sing | 1.61Å | 1.53Å | |
P6 | O6P | sing | 1.61Å | 1.51Å | |
O5P | HOP5 | sing | 0.97Å | 0.95Å | |
O6P | HOP6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P1 | O2P | 119.3° | 109.5° |
O1P | P1 | O3P | 106.5° | 109.4° |
O1P | P1 | O1 | 110.9° | 109.5° |
O2P | P1 | O3P | 110.2° | 109.4° |
O2P | P1 | O1 | 104.4° | 109.5° |
P1 | O2P | HOP2 | 119.3° | 106.8° |
O3P | P1 | O1 | 104.5° | 109.4° |
P1 | O3P | HOP3 | 106.5° | 106.8° |
P1 | O1 | C1 | 121.8° | 106.9° |
O1 | C1 | C2 | 108.4° | 109.5° |
O1 | C1 | H11 | 112.6° | 109.5° |
O1 | C1 | H12 | 112.6° | 109.5° |
C2 | C1 | H11 | 112.6° | 109.4° |
C2 | C1 | H12 | 112.6° | 109.5° |
C1 | C2 | O2 | 108.2° | 110.3° |
C1 | C2 | C3 | 115.6° | 110.4° |
C1 | C2 | O5 | 107.5° | 110.4° |
H11 | C1 | H12 | 97.8° | 109.5° |
O2 | C2 | C3 | 109.6° | 110.4° |
O2 | C2 | O5 | 110.7° | 110.4° |
C2 | O2 | HO2 | 108.2° | 106.8° |
C3 | C2 | O5 | 105.3° | 104.8° |
C2 | C3 | O3 | 110.2° | 110.7° |
C2 | C3 | C4 | 102.5° | 104.0° |
C2 | C3 | H3 | 115.6° | 110.5° |
C2 | O5 | C5 | 111.4° | 105.4° |
O3 | C3 | C4 | 115.0° | 110.5° |
O3 | C3 | H3 | 103.2° | 110.4° |
C3 | O3 | HO3 | 110.2° | 106.8° |
C4 | C3 | H3 | 110.9° | 110.5° |
C3 | C4 | O4 | 115.8° | 110.5° |
C3 | C4 | C5 | 102.1° | 104.2° |
C3 | C4 | H4 | 110.5° | 110.5° |
O4 | C4 | C5 | 109.8° | 110.6° |
O4 | C4 | H4 | 102.8° | 110.4° |
C4 | O4 | HO4 | 115.9° | 106.9° |
C5 | C4 | H4 | 116.4° | 110.5° |
C4 | C5 | O5 | 105.1° | 104.7° |
C4 | C5 | C6 | 111.9° | 110.7° |
C4 | C5 | H5 | 111.3° | 110.2° |
O5 | C5 | C6 | 110.8° | 110.4° |
O5 | C5 | H5 | 112.4° | 110.3° |
C6 | C5 | H5 | 105.5° | 110.3° |
C5 | C6 | O6 | 108.0° | 109.6° |
C5 | C6 | H61 | 112.8° | 109.5° |
C5 | C6 | H62 | 112.8° | 109.5° |
O6 | C6 | H61 | 112.8° | 109.5° |
O6 | C6 | H62 | 112.8° | 109.5° |
C6 | O6 | P6 | 121.1° | 106.9° |
H61 | C6 | H62 | 97.7° | 109.4° |
O6 | P6 | O4P | 107.5° | 109.5° |
O6 | P6 | O5P | 108.5° | 109.5° |
O6 | P6 | O6P | 101.8° | 109.5° |
O4P | P6 | O5P | 111.9° | 109.4° |
O4P | P6 | O6P | 114.3° | 109.4° |
O5P | P6 | O6P | 112.1° | 109.5° |
P6 | O5P | HOP5 | 108.5° | 106.8° |
P6 | O6P | HOP6 | 101.7° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P1 | O2P | O3P | 123.7° | 120.0° |
O1P | P1 | O2P | O1 | 124.5° | 120.1° |
O1P | P1 | O3P | O1 | 117.5° | 120.0° |
O1P | P1 | O2P | HOP2 | 180.0° | 59.9° |
O1P | P1 | O3P | HOP3 | 180.0° | 180.0° |
O1P | P1 | O1 | C1 | 91.1° | 60.0° |
O2P | P1 | O3P | O1 | 111.7° | 120.0° |
O2P | P1 | O3P | HOP3 | 49.2° | 60.0° |
O2P | P1 | O1 | C1 | 139.2° | 179.9° |
O3P | P1 | O2P | HOP2 | 56.3° | 60.1° |
O3P | P1 | O1 | C1 | 23.4° | 60.0° |
O1 | P1 | O2P | HOP2 | 55.5° | 180.0° |
O1 | P1 | O3P | HOP3 | 62.5° | 60.0° |
P1 | O1 | C1 | C2 | 111.8° | 180.0° |
P1 | O1 | C1 | H11 | 122.9° | 60.0° |
P1 | O1 | C1 | H12 | 13.4° | 59.9° |
O1 | C1 | C2 | H11 | 125.3° | 120.0° |
O1 | C1 | C2 | H12 | 125.3° | 120.0° |
O1 | C1 | H11 | H12 | 118.5° | 120.0° |
O1 | C1 | C2 | O2 | 48.9° | 57.8° |
O1 | C1 | C2 | C3 | 172.1° | 180.0° |
O1 | C1 | C2 | O5 | 70.6° | 64.5° |
C2 | C1 | H11 | H12 | 118.5° | 120.0° |
C1 | C2 | O2 | C3 | 126.8° | 122.2° |
C1 | C2 | O2 | O5 | 117.5° | 122.3° |
C1 | C2 | C3 | O5 | 118.4° | 118.9° |
C1 | C2 | O2 | HO2 | 180.0° | 57.8° |
C1 | C2 | C3 | O3 | 33.6° | 24.2° |
C1 | C2 | C3 | C4 | 89.2° | 143.0° |
C1 | C2 | C3 | H3 | 150.1° | 98.4° |
C1 | C2 | O5 | C5 | 113.7° | 159.3° |
H11 | C1 | C2 | O2 | 174.2° | 177.7° |
H11 | C1 | C2 | C3 | 62.6° | 60.0° |
H11 | C1 | C2 | O5 | 54.6° | 55.5° |
H12 | C1 | C2 | O2 | 76.4° | 62.3° |
H12 | C1 | C2 | C3 | 46.9° | 60.0° |
H12 | C1 | C2 | O5 | 164.1° | 175.4° |
O2 | C2 | C3 | O5 | 119.1° | 118.9° |
O2 | C2 | C3 | O3 | 88.9° | 146.4° |
O2 | C2 | C3 | C4 | 148.3° | 94.9° |
O2 | C2 | C3 | H3 | 27.6° | 23.8° |
O2 | C2 | O5 | C5 | 128.4° | 78.5° |
C3 | C2 | O2 | HO2 | 53.2° | 180.0° |
C2 | C3 | O3 | C4 | 115.2° | 114.7° |
C2 | C3 | O3 | H3 | 124.0° | 122.7° |
C2 | C3 | C4 | H3 | 123.9° | 118.7° |
C2 | C3 | O3 | HO3 | 180.0° | 176.2° |
C2 | C3 | C4 | O4 | 155.7° | 118.7° |
C2 | C3 | C4 | C5 | 36.5° | 0.1° |
C2 | C3 | C4 | H4 | 88.0° | 118.8° |
C3 | C2 | O5 | C5 | 10.0° | 40.4° |
O5 | C2 | O2 | HO2 | 62.5° | 64.5° |
O5 | C2 | C3 | O3 | 152.0° | 94.7° |
O5 | C2 | C3 | C4 | 29.2° | 24.0° |
O5 | C2 | C3 | H3 | 91.5° | 142.7° |
C2 | O5 | C5 | C4 | 13.6° | 40.3° |
C2 | O5 | C5 | C6 | 134.7° | 159.5° |
C2 | O5 | C5 | H5 | 107.5° | 78.3° |
O3 | C3 | C4 | H3 | 116.5° | 122.5° |
O3 | C3 | C4 | O4 | 84.8° | 122.5° |
O3 | C3 | C4 | C5 | 156.0° | 118.7° |
O3 | C3 | C4 | H4 | 31.6° | 0.0° |
C4 | C3 | O3 | HO3 | 64.9° | 61.5° |
C3 | C4 | O4 | C5 | 114.9° | 114.9° |
C3 | C4 | O4 | H4 | 120.6° | 122.5° |
C3 | C4 | C5 | H4 | 120.4° | 118.7° |
C3 | C4 | O4 | HO4 | 180.0° | 63.3° |
C3 | C4 | C5 | O5 | 31.2° | 23.7° |
C3 | C4 | C5 | C6 | 151.5° | 142.7° |
C3 | C4 | C5 | H5 | 90.7° | 94.9° |
H3 | C3 | O3 | HO3 | 56.0° | 61.2° |
H3 | C3 | C4 | O4 | 31.8° | 0.0° |
H3 | C3 | C4 | C5 | 87.4° | 118.8° |
H3 | C3 | C4 | H4 | 148.1° | 122.5° |
O4 | C4 | C5 | H4 | 116.3° | 122.6° |
O4 | C4 | C5 | O5 | 154.6° | 142.5° |
O4 | C4 | C5 | C6 | 85.1° | 98.5° |
O4 | C4 | C5 | H5 | 32.7° | 23.9° |
C5 | C4 | O4 | HO4 | 65.1° | 178.1° |
C4 | C5 | O5 | C6 | 121.1° | 119.2° |
C4 | C5 | O5 | H5 | 121.1° | 118.6° |
C4 | C5 | C6 | H5 | 121.2° | 122.3° |
C4 | C5 | C6 | O6 | 174.9° | 176.9° |
C4 | C5 | C6 | H61 | 59.9° | 63.0° |
C4 | C5 | C6 | H62 | 49.6° | 56.9° |
H4 | C4 | O4 | HO4 | 59.4° | 59.3° |
H4 | C4 | C5 | O5 | 89.2° | 94.9° |
H4 | C4 | C5 | C6 | 31.1° | 24.1° |
H4 | C4 | C5 | H5 | 149.0° | 146.4° |
O5 | C5 | C6 | H5 | 121.9° | 122.2° |
O5 | C5 | C6 | O6 | 68.2° | 61.4° |
O5 | C5 | C6 | H61 | 57.0° | 178.5° |
O5 | C5 | C6 | H62 | 166.5° | 58.6° |
C5 | C6 | O6 | H61 | 125.3° | 120.1° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 118.7° | 119.9° |
C5 | C6 | O6 | P6 | 152.0° | 180.0° |
H5 | C5 | C6 | O6 | 53.7° | 60.8° |
H5 | C5 | C6 | H61 | 178.9° | 59.3° |
H5 | C5 | C6 | H62 | 71.6° | 179.2° |
O6 | C6 | H61 | H62 | 118.7° | 119.9° |
C6 | O6 | P6 | O4P | 51.3° | 60.0° |
C6 | O6 | P6 | O5P | 69.9° | 180.0° |
C6 | O6 | P6 | O6P | 171.8° | 60.0° |
H61 | C6 | O6 | P6 | 82.7° | 60.0° |
H62 | C6 | O6 | P6 | 26.8° | 60.0° |
O6 | P6 | O4P | O5P | 119.0° | 120.0° |
O6 | P6 | O4P | O6P | 112.1° | 120.0° |
O6 | P6 | O5P | O6P | 111.6° | 120.1° |
O6 | P6 | O5P | HOP5 | 180.0° | 180.0° |
O6 | P6 | O6P | HOP6 | 180.0° | 60.1° |
O4P | P6 | O5P | O6P | 130.0° | 119.9° |
O4P | P6 | O5P | HOP5 | 61.5° | 60.0° |
O4P | P6 | O6P | HOP6 | 64.5° | 180.0° |
O5P | P6 | O6P | HOP6 | 64.3° | 60.0° |
O6P | P6 | O5P | HOP5 | 68.4° | 59.9° |