AHG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P1 | O1P | doub | 1.48Å | 1.55Å | |
P1 | O2P | sing | 1.61Å | 1.54Å | |
P1 | O3P | sing | 1.61Å | 1.55Å | |
P1 | O1 | sing | 1.61Å | 1.59Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
O1 | C1 | sing | 1.43Å | 1.38Å | |
C1 | C2 | sing | 1.53Å | 1.47Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.09Å | |
C2 | C3 | sing | 1.55Å | 1.54Å | |
C2 | O5 | sing | 1.44Å | 1.44Å | |
C2 | H2 | sing | 1.09Å | 1.08Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C3 | C4 | sing | 1.55Å | 1.60Å | |
C3 | H3 | sing | 1.09Å | 1.14Å | |
O3 | HO3 | sing | 0.97Å | 1.00Å | |
C4 | O4 | sing | 1.43Å | 1.46Å | |
C4 | C5 | sing | 1.54Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.14Å | |
O4 | HO4 | sing | 0.97Å | 0.99Å | |
C5 | O5 | sing | 1.44Å | 1.38Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.08Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.08Å | |
C6 | H62 | sing | 1.09Å | 1.08Å | |
O6 | P2 | sing | 1.61Å | 1.60Å | |
P2 | O4P | doub | 1.48Å | 1.47Å | |
P2 | O5P | sing | 1.61Å | 1.49Å | |
P2 | O6P | sing | 1.61Å | 1.47Å | |
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 | 114.4° | 109.5° |
O1P | P1 | O3P | 107.9° | 109.6° |
O1P | P1 | O1 | 107.3° | 109.4° |
O2P | P1 | O3P | 110.7° | 109.5° |
O2P | P1 | O1 | 106.0° | 109.4° |
P1 | O2P | HOP2 | 114.4° | 106.8° |
O3P | P1 | O1 | 110.4° | 109.5° |
P1 | O3P | HOP3 | 107.9° | 106.8° |
P1 | O1 | C1 | 116.1° | 106.8° |
O1 | C1 | C2 | 103.7° | 109.5° |
O1 | C1 | H11 | 114.1° | 109.5° |
O1 | C1 | H12 | 113.5° | 109.4° |
C2 | C1 | H11 | 115.9° | 109.5° |
C2 | C1 | H12 | 110.9° | 109.5° |
C1 | C2 | C3 | 120.5° | 110.8° |
C1 | C2 | O5 | 99.2° | 110.6° |
C1 | C2 | H2 | 108.5° | 110.6° |
H11 | C1 | H12 | 99.2° | 109.5° |
C3 | C2 | O5 | 108.2° | 103.4° |
C3 | C2 | H2 | 111.9° | 110.6° |
C2 | C3 | O3 | 121.3° | 110.9° |
C2 | C3 | C4 | 99.6° | 102.1° |
C2 | C3 | H3 | 103.9° | 110.9° |
O5 | C2 | H2 | 107.2° | 110.6° |
C2 | O5 | C5 | 112.4° | 107.0° |
O3 | C3 | C4 | 101.4° | 110.8° |
O3 | C3 | H3 | 118.5° | 110.8° |
C3 | O3 | HO3 | 123.1° | 106.8° |
C4 | C3 | H3 | 110.2° | 110.9° |
C3 | C4 | O4 | 129.2° | 110.5° |
C3 | C4 | C5 | 105.8° | 104.2° |
C3 | C4 | H4 | 104.6° | 110.5° |
O4 | C4 | C5 | 100.9° | 110.6° |
O4 | C4 | H4 | 113.6° | 110.4° |
C4 | O4 | HO4 | 124.3° | 106.8° |
C5 | C4 | H4 | 97.7° | 110.5° |
C4 | C5 | O5 | 102.4° | 107.3° |
C4 | C5 | C6 | 120.6° | 109.8° |
C4 | C5 | H5 | 112.5° | 109.8° |
O5 | C5 | C6 | 102.6° | 110.0° |
O5 | C5 | H5 | 107.3° | 109.9° |
C6 | C5 | H5 | 109.9° | 109.9° |
C5 | C6 | O6 | 106.6° | 109.4° |
C5 | C6 | H61 | 115.8° | 109.5° |
C5 | C6 | H62 | 106.3° | 109.4° |
O6 | C6 | H61 | 112.0° | 109.5° |
O6 | C6 | H62 | 110.5° | 109.5° |
C6 | O6 | P2 | 120.6° | 106.8° |
H61 | C6 | H62 | 105.5° | 109.5° |
O6 | P2 | O4P | 105.0° | 109.5° |
O6 | P2 | O5P | 111.8° | 109.5° |
O6 | P2 | O6P | 110.5° | 109.5° |
O4P | P2 | O5P | 110.0° | 109.4° |
O4P | P2 | O6P | 110.3° | 109.5° |
O5P | P2 | O6P | 109.2° | 109.5° |
P2 | O5P | HOP5 | 111.8° | 106.8° |
P2 | O6P | HOP6 | 110.5° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P1 | O2P | O3P | 122.2° | 120.1° |
O1P | P1 | O2P | O1 | 118.0° | 119.9° |
O1P | P1 | O3P | O1 | 117.0° | 120.0° |
O1P | P1 | O2P | HOP2 | 180.0° | 60.1° |
O1P | P1 | O3P | HOP3 | 179.9° | 180.0° |
O1P | P1 | O1 | C1 | 179.3° | 60.1° |
O2P | P1 | O3P | O1 | 117.1° | 119.9° |
O2P | P1 | O3P | HOP3 | 54.1° | 59.9° |
O2P | P1 | O1 | C1 | 58.1° | 180.0° |
O3P | P1 | O2P | HOP2 | 57.8° | 60.1° |
O3P | P1 | O1 | C1 | 61.9° | 60.0° |
O1 | P1 | O2P | HOP2 | 62.0° | 180.0° |
O1 | P1 | O3P | HOP3 | 63.1° | 60.0° |
P1 | O1 | C1 | C2 | 139.3° | 180.0° |
P1 | O1 | C1 | H11 | 93.7° | 60.0° |
P1 | O1 | C1 | H12 | 18.9° | 60.0° |
O1 | C1 | C2 | H11 | 125.8° | 120.0° |
O1 | C1 | C2 | H12 | 122.1° | 120.0° |
O1 | C1 | H11 | H12 | 121.0° | 120.0° |
O1 | C1 | C2 | C3 | 60.7° | 175.6° |
O1 | C1 | C2 | O5 | 178.3° | 61.5° |
O1 | C1 | C2 | H2 | 70.0° | 61.4° |
C2 | C1 | H11 | H12 | 118.7° | 120.0° |
C1 | C2 | C3 | O5 | 112.9° | 118.6° |
C1 | C2 | C3 | H2 | 129.2° | 123.0° |
C1 | C2 | O5 | H2 | 112.7° | 122.9° |
C1 | C2 | C3 | O3 | 0.2° | 37.4° |
C1 | C2 | C3 | C4 | 109.5° | 155.6° |
C1 | C2 | C3 | H3 | 136.8° | 86.2° |
C1 | C2 | O5 | C5 | 145.6° | 158.8° |
H11 | C1 | C2 | C3 | 65.1° | 55.6° |
H11 | C1 | C2 | O5 | 52.5° | 58.5° |
H11 | C1 | C2 | H2 | 164.2° | 178.6° |
H12 | C1 | C2 | C3 | 177.1° | 64.4° |
H12 | C1 | C2 | O5 | 59.6° | 178.5° |
H12 | C1 | C2 | H2 | 52.2° | 58.6° |
C3 | C2 | O5 | H2 | 120.8° | 118.4° |
C2 | C3 | O3 | C4 | 108.8° | 112.7° |
C2 | C3 | O3 | H3 | 130.5° | 123.7° |
C2 | C3 | C4 | H3 | 108.7° | 118.3° |
C2 | C3 | O3 | HO3 | 44.3° | 177.1° |
C2 | C3 | C4 | O4 | 140.9° | 98.0° |
C2 | C3 | C4 | C5 | 21.9° | 20.8° |
C2 | C3 | C4 | H4 | 80.7° | 139.5° |
C3 | C2 | O5 | C5 | 19.2° | 40.1° |
O5 | C2 | C3 | O3 | 113.1° | 81.2° |
O5 | C2 | C3 | C4 | 3.3° | 37.0° |
O5 | C2 | C3 | H3 | 110.4° | 155.2° |
C2 | O5 | C5 | C4 | 32.9° | 26.6° |
C2 | O5 | C5 | C6 | 158.5° | 146.0° |
C2 | O5 | C5 | H5 | 85.7° | 92.9° |
H2 | C2 | C3 | O3 | 129.0° | 160.4° |
H2 | C2 | C3 | C4 | 121.3° | 81.5° |
H2 | C2 | C3 | H3 | 7.5° | 36.8° |
H2 | C2 | O5 | C5 | 101.6° | 78.4° |
O3 | C3 | C4 | H3 | 126.4° | 123.6° |
O3 | C3 | C4 | O4 | 94.3° | 143.9° |
O3 | C3 | C4 | C5 | 146.7° | 97.3° |
O3 | C3 | C4 | H4 | 44.2° | 21.4° |
C4 | C3 | O3 | HO3 | 153.1° | 64.4° |
C3 | C4 | O4 | C5 | 121.0° | 114.8° |
C3 | C4 | O4 | H4 | 135.5° | 122.5° |
C3 | C4 | C5 | H4 | 107.7° | 118.7° |
C3 | C4 | O4 | HO4 | 26.3° | 61.4° |
C3 | C4 | C5 | O5 | 33.5° | 2.1° |
C3 | C4 | C5 | C6 | 146.3° | 121.6° |
C3 | C4 | C5 | H5 | 81.4° | 117.4° |
H3 | C3 | O3 | HO3 | 86.2° | 59.2° |
H3 | C3 | C4 | O4 | 32.2° | 20.3° |
H3 | C3 | C4 | C5 | 86.9° | 139.1° |
H3 | C3 | C4 | H4 | 170.6° | 102.2° |
O4 | C4 | C5 | H4 | 116.0° | 122.6° |
O4 | C4 | C5 | O5 | 169.8° | 120.8° |
O4 | C4 | C5 | C6 | 77.3° | 119.7° |
O4 | C4 | C5 | H5 | 55.0° | 1.3° |
C5 | C4 | O4 | HO4 | 147.3° | 176.2° |
C4 | C5 | O5 | C6 | 125.6° | 119.5° |
C4 | C5 | O5 | H5 | 118.6° | 119.4° |
C4 | C5 | C6 | H5 | 133.4° | 121.0° |
C4 | C5 | C6 | O6 | 159.7° | 180.0° |
C4 | C5 | C6 | H61 | 34.3° | 60.0° |
C4 | C5 | C6 | H62 | 82.5° | 60.0° |
H4 | C4 | O4 | HO4 | 109.2° | 61.1° |
H4 | C4 | C5 | O5 | 74.2° | 116.6° |
H4 | C4 | C5 | C6 | 38.7° | 2.9° |
H4 | C4 | C5 | H5 | 171.0° | 123.9° |
O5 | C5 | C6 | H5 | 113.9° | 121.2° |
O5 | C5 | C6 | O6 | 46.9° | 62.1° |
O5 | C5 | C6 | H61 | 78.4° | 177.9° |
O5 | C5 | C6 | H62 | 164.8° | 57.9° |
C5 | C6 | O6 | H61 | 127.7° | 120.0° |
C5 | C6 | O6 | H62 | 115.0° | 120.0° |
C5 | C6 | H61 | H62 | 117.2° | 120.0° |
C5 | C6 | O6 | P2 | 157.3° | 180.0° |
H5 | C5 | C6 | O6 | 66.9° | 59.0° |
H5 | C5 | C6 | H61 | 167.7° | 61.0° |
H5 | C5 | C6 | H62 | 50.9° | 179.0° |
O6 | C6 | H61 | H62 | 120.2° | 120.1° |
C6 | O6 | P2 | O4P | 103.3° | 60.0° |
C6 | O6 | P2 | O5P | 16.1° | 180.0° |
C6 | O6 | P2 | O6P | 137.8° | 60.0° |
H61 | C6 | O6 | P2 | 75.1° | 60.0° |
H62 | C6 | O6 | P2 | 42.3° | 60.1° |
O6 | P2 | O4P | O5P | 120.5° | 120.0° |
O6 | P2 | O4P | O6P | 119.0° | 120.0° |
O6 | P2 | O5P | O6P | 122.5° | 120.1° |
O6 | P2 | O5P | HOP5 | 180.0° | 180.0° |
O6 | P2 | O6P | HOP6 | 180.0° | 60.0° |
O4P | P2 | O5P | O6P | 121.2° | 120.0° |
O4P | P2 | O5P | HOP5 | 63.7° | 60.0° |
O4P | P2 | O6P | HOP6 | 64.3° | 179.9° |
O5P | P2 | O6P | HOP6 | 56.7° | 60.0° |
O6P | P2 | O5P | HOP5 | 57.5° | 60.0° |