AHM
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 | 1.50Å | |
P1 | O3P | sing | 1.61Å | 1.60Å | |
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 | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.55Å | 1.53Å | |
C2 | O5 | sing | 1.44Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.55Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.54Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O6 | P2 | sing | 1.61Å | 1.62Å | |
P2 | O4P | doub | 1.48Å | 1.52Å | |
P2 | O5P | sing | 1.61Å | 1.52Å | |
P2 | O6P | sing | 1.61Å | 1.52Å | |
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 | 119.2° | 109.4° |
O1P | P1 | O3P | 106.4° | 109.4° |
O1P | P1 | O1 | 111.0° | 109.4° |
O2P | P1 | O3P | 110.1° | 109.5° |
O2P | P1 | O1 | 105.0° | 109.5° |
P1 | O2P | HOP2 | 119.2° | 106.8° |
O3P | P1 | O1 | 104.3° | 109.5° |
P1 | O3P | HOP3 | 106.4° | 106.8° |
P1 | O1 | C1 | 121.4° | 106.8° |
O1 | C1 | C2 | 108.8° | 109.5° |
O1 | C1 | H11 | 112.4° | 109.5° |
O1 | C1 | H12 | 112.5° | 109.5° |
C2 | C1 | H11 | 112.5° | 109.5° |
C2 | C1 | H12 | 112.4° | 109.5° |
C1 | C2 | C3 | 115.1° | 110.5° |
C1 | C2 | O5 | 107.8° | 110.3° |
C1 | C2 | H2 | 105.3° | 110.3° |
H11 | C1 | H12 | 98.0° | 109.5° |
C3 | C2 | O5 | 104.3° | 105.1° |
C3 | C2 | H2 | 108.7° | 110.3° |
C2 | C3 | O3 | 109.6° | 111.1° |
C2 | C3 | C4 | 102.0° | 101.0° |
C2 | C3 | H3 | 116.5° | 111.2° |
O5 | C2 | H2 | 115.9° | 110.3° |
C2 | O5 | C5 | 110.6° | 110.0° |
O3 | C3 | C4 | 115.7° | 111.1° |
O3 | C3 | H3 | 103.1° | 110.9° |
C3 | O3 | HO3 | 109.6° | 106.8° |
C4 | C3 | H3 | 110.6° | 111.2° |
C3 | C4 | O4 | 115.6° | 110.9° |
C3 | C4 | C5 | 102.8° | 102.2° |
C3 | C4 | H4 | 110.0° | 110.9° |
O4 | C4 | C5 | 109.6° | 111.0° |
O4 | C4 | H4 | 103.3° | 110.7° |
C4 | O4 | HO4 | 115.6° | 106.8° |
C5 | C4 | H4 | 116.0° | 110.9° |
C4 | C5 | O5 | 106.4° | 107.6° |
C4 | C5 | C6 | 112.3° | 109.8° |
C4 | C5 | H5 | 109.9° | 109.9° |
O5 | C5 | C6 | 110.3° | 109.9° |
O5 | C5 | H5 | 112.0° | 109.9° |
C6 | C5 | H5 | 106.0° | 109.8° |
C5 | C6 | O6 | 107.9° | 109.5° |
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° | 109.4° |
C6 | O6 | P2 | 121.0° | 106.8° |
H61 | C6 | H62 | 97.7° | 109.4° |
O6 | P2 | O4P | 107.5° | 109.4° |
O6 | P2 | O5P | 108.1° | 109.5° |
O6 | P2 | O6P | 101.9° | 109.5° |
O4P | P2 | O5P | 112.1° | 109.4° |
O4P | P2 | O6P | 114.5° | 109.5° |
O5P | P2 | O6P | 112.0° | 109.5° |
P2 | O5P | HOP5 | 108.1° | 106.8° |
P2 | O6P | HOP6 | 101.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P1 | O2P | O3P | 123.3° | 120.0° |
O1P | P1 | O2P | O1 | 125.0° | 120.0° |
O1P | P1 | O3P | O1 | 117.4° | 120.0° |
O1P | P1 | O2P | HOP2 | 180.0° | 60.1° |
O1P | P1 | O3P | HOP3 | 180.0° | 180.0° |
O1P | P1 | O1 | C1 | 68.7° | 60.0° |
O2P | P1 | O3P | O1 | 112.2° | 120.1° |
O2P | P1 | O3P | HOP3 | 49.5° | 60.0° |
O2P | P1 | O1 | C1 | 161.3° | 179.9° |
O3P | P1 | O2P | HOP2 | 56.7° | 59.8° |
O3P | P1 | O1 | C1 | 45.5° | 59.9° |
O1 | P1 | O2P | HOP2 | 55.0° | 179.9° |
O1 | P1 | O3P | HOP3 | 62.6° | 60.0° |
P1 | O1 | C1 | C2 | 108.9° | 180.0° |
P1 | O1 | C1 | H11 | 125.8° | 60.0° |
P1 | O1 | C1 | H12 | 16.3° | 60.0° |
O1 | C1 | C2 | H11 | 125.3° | 120.0° |
O1 | C1 | C2 | H12 | 125.3° | 120.0° |
O1 | C1 | H11 | H12 | 118.4° | 120.0° |
O1 | C1 | C2 | C3 | 136.3° | 177.2° |
O1 | C1 | C2 | O5 | 107.7° | 61.4° |
O1 | C1 | C2 | H2 | 16.6° | 60.7° |
C2 | C1 | H11 | H12 | 118.4° | 120.0° |
C1 | C2 | C3 | O5 | 118.0° | 118.9° |
C1 | C2 | C3 | H2 | 117.8° | 122.2° |
C1 | C2 | O5 | H2 | 117.6° | 122.1° |
C1 | C2 | C3 | O3 | 81.7° | 86.7° |
C1 | C2 | C3 | C4 | 155.3° | 155.4° |
C1 | C2 | C3 | H3 | 34.8° | 37.4° |
C1 | C2 | O5 | C5 | 151.9° | 143.4° |
H11 | C1 | C2 | C3 | 11.1° | 62.8° |
H11 | C1 | C2 | O5 | 127.1° | 178.6° |
H11 | C1 | C2 | H2 | 108.6° | 59.3° |
H12 | C1 | C2 | C3 | 98.4° | 57.2° |
H12 | C1 | C2 | O5 | 17.6° | 58.5° |
H12 | C1 | C2 | H2 | 141.9° | 179.4° |
C3 | C2 | O5 | H2 | 119.5° | 118.8° |
C2 | C3 | O3 | C4 | 114.6° | 111.6° |
C2 | C3 | O3 | H3 | 124.7° | 124.2° |
C2 | C3 | C4 | H3 | 124.5° | 118.0° |
C2 | C3 | O3 | HO3 | 180.0° | 176.6° |
C2 | C3 | C4 | O4 | 150.8° | 152.5° |
C2 | C3 | C4 | C5 | 31.4° | 34.1° |
C2 | C3 | C4 | H4 | 92.7° | 84.1° |
C3 | C2 | O5 | C5 | 29.0° | 24.3° |
O5 | C2 | C3 | O3 | 160.4° | 154.4° |
O5 | C2 | C3 | C4 | 37.3° | 36.4° |
O5 | C2 | C3 | H3 | 83.2° | 81.6° |
C2 | O5 | C5 | C4 | 8.4° | 1.7° |
C2 | O5 | C5 | C6 | 113.7° | 117.9° |
C2 | O5 | C5 | H5 | 128.5° | 121.2° |
H2 | C2 | C3 | O3 | 36.1° | 35.5° |
H2 | C2 | C3 | C4 | 86.9° | 82.5° |
H2 | C2 | C3 | H3 | 152.6° | 159.5° |
H2 | C2 | O5 | C5 | 90.5° | 94.5° |
O3 | C3 | C4 | H3 | 116.6° | 124.1° |
O3 | C3 | C4 | O4 | 90.4° | 89.5° |
O3 | C3 | C4 | C5 | 150.3° | 152.1° |
O3 | C3 | C4 | H4 | 26.1° | 33.8° |
C4 | C3 | O3 | HO3 | 65.4° | 65.0° |
C3 | C4 | O4 | C5 | 115.6° | 112.9° |
C3 | C4 | O4 | H4 | 120.2° | 123.5° |
C3 | C4 | C5 | H4 | 120.1° | 118.3° |
C3 | C4 | O4 | HO4 | 180.0° | 61.4° |
C3 | C4 | C5 | O5 | 15.5° | 21.4° |
C3 | C4 | C5 | C6 | 136.3° | 141.0° |
C3 | C4 | C5 | H5 | 106.0° | 98.2° |
H3 | C3 | O3 | HO3 | 55.3° | 59.2° |
H3 | C3 | C4 | O4 | 26.3° | 34.5° |
H3 | C3 | C4 | C5 | 93.1° | 83.9° |
H3 | C3 | C4 | H4 | 142.8° | 157.9° |
O4 | C4 | C5 | H4 | 116.4° | 123.5° |
O4 | C4 | C5 | O5 | 139.0° | 139.7° |
O4 | C4 | C5 | C6 | 100.2° | 100.7° |
O4 | C4 | C5 | H5 | 17.5° | 20.1° |
C5 | C4 | O4 | HO4 | 64.4° | 174.4° |
C4 | C5 | O5 | C6 | 122.1° | 119.5° |
C4 | C5 | O5 | H5 | 120.1° | 119.6° |
C4 | C5 | C6 | H5 | 120.1° | 120.9° |
C4 | C5 | C6 | O6 | 112.3° | 180.0° |
C4 | C5 | C6 | H61 | 122.4° | 60.0° |
C4 | C5 | C6 | H62 | 13.0° | 60.0° |
H4 | C4 | O4 | HO4 | 59.8° | 62.1° |
H4 | C4 | C5 | O5 | 104.6° | 96.9° |
H4 | C4 | C5 | C6 | 16.2° | 22.7° |
H4 | C4 | C5 | H5 | 133.9° | 143.6° |
O5 | C5 | C6 | H5 | 121.5° | 120.9° |
O5 | C5 | C6 | O6 | 129.2° | 61.8° |
O5 | C5 | C6 | H61 | 4.0° | 178.1° |
O5 | C5 | C6 | H62 | 105.5° | 58.2° |
C5 | C6 | O6 | H61 | 125.2° | 120.1° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 118.7° | 120.0° |
C5 | C6 | O6 | P2 | 138.6° | 180.0° |
H5 | C5 | C6 | O6 | 7.7° | 59.1° |
H5 | C5 | C6 | H61 | 117.5° | 60.9° |
H5 | C5 | C6 | H62 | 133.0° | 179.1° |
O6 | C6 | H61 | H62 | 118.7° | 120.0° |
C6 | O6 | P2 | O4P | 42.0° | 60.1° |
C6 | O6 | P2 | O5P | 79.2° | 180.0° |
C6 | O6 | P2 | O6P | 162.7° | 59.9° |
H61 | C6 | O6 | P2 | 96.2° | 59.9° |
H62 | C6 | O6 | P2 | 13.3° | 60.1° |
O6 | P2 | O4P | O5P | 118.6° | 119.9° |
O6 | P2 | O4P | O6P | 112.4° | 120.0° |
O6 | P2 | O5P | O6P | 111.4° | 120.1° |
O6 | P2 | O5P | HOP5 | 180.0° | 180.0° |
O6 | P2 | O6P | HOP6 | 180.0° | 60.0° |
O4P | P2 | O5P | O6P | 130.2° | 120.0° |
O4P | P2 | O5P | HOP5 | 61.7° | 60.1° |
O4P | P2 | O6P | HOP6 | 64.3° | 180.0° |
O5P | P2 | O6P | HOP6 | 64.7° | 60.1° |
O6P | P2 | O5P | HOP5 | 68.5° | 59.9° |