BGP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.38Å | |
C1 | O5 | sing | 1.43Å | 1.41Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.39Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
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 | |
O6 | P | sing | 1.61Å | 1.55Å | |
P | O1P | doub | 1.48Å | 1.56Å | |
P | O2P | sing | 1.61Å | 1.55Å | |
P | O3P | sing | 1.61Å | 1.52Å | |
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 | O1 | 110.7° | 109.5° |
C2 | C1 | O5 | 108.8° | 109.8° |
C2 | C1 | H1 | 108.7° | 109.4° |
C1 | C2 | C3 | 100.8° | 109.0° |
C1 | C2 | O2 | 110.4° | 109.6° |
C1 | C2 | H2 | 114.7° | 109.6° |
O1 | C1 | O5 | 108.3° | 109.4° |
O1 | C1 | H1 | 109.3° | 109.4° |
C1 | O1 | HO1 | 110.7° | 106.8° |
O5 | C1 | H1 | 111.1° | 109.3° |
C1 | O5 | C5 | 115.1° | 107.7° |
C3 | C2 | O2 | 110.2° | 109.6° |
C3 | C2 | H2 | 114.8° | 109.5° |
C2 | C3 | C4 | 110.2° | 108.6° |
C2 | C3 | O3 | 112.8° | 109.8° |
C2 | C3 | H3 | 107.2° | 109.7° |
O2 | C2 | H2 | 106.0° | 109.5° |
C2 | O2 | HO2 | 110.4° | 106.8° |
C4 | C3 | O3 | 111.0° | 109.6° |
C4 | C3 | H3 | 109.2° | 109.6° |
C3 | C4 | C5 | 115.0° | 109.0° |
C3 | C4 | O4 | 109.9° | 109.6° |
C3 | C4 | H4 | 105.2° | 109.5° |
O3 | C3 | H3 | 106.3° | 109.6° |
C3 | O3 | HO3 | 112.8° | 106.8° |
C5 | C4 | O4 | 109.4° | 109.5° |
C5 | C4 | H4 | 105.9° | 109.5° |
C4 | C5 | C6 | 112.4° | 109.4° |
C4 | C5 | O5 | 114.8° | 109.8° |
C4 | C5 | H5 | 101.9° | 109.4° |
O4 | C4 | H4 | 111.4° | 109.6° |
C4 | O4 | HO4 | 109.9° | 106.8° |
C6 | C5 | O5 | 103.3° | 109.5° |
C6 | C5 | H5 | 113.7° | 109.4° |
C5 | C6 | O6 | 110.2° | 109.4° |
C5 | C6 | H61 | 111.9° | 109.5° |
C5 | C6 | H62 | 111.9° | 109.4° |
O5 | C5 | H5 | 111.2° | 109.4° |
O6 | C6 | H61 | 111.9° | 109.5° |
O6 | C6 | H62 | 111.9° | 109.6° |
C6 | O6 | P | 109.6° | 106.8° |
H61 | C6 | H62 | 98.6° | 109.5° |
O6 | P | O1P | 110.1° | 109.5° |
O6 | P | O2P | 111.3° | 109.5° |
O6 | P | O3P | 108.1° | 109.5° |
O1P | P | O2P | 108.9° | 109.4° |
O1P | P | O3P | 108.8° | 109.5° |
O2P | P | O3P | 109.6° | 109.5° |
P | O2P | HOP2 | 111.3° | 106.8° |
P | O3P | HOP3 | 108.1° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 119.2° | 120.4° |
C2 | C1 | O1 | H1 | 119.6° | 119.9° |
C2 | C1 | O5 | H1 | 119.6° | 120.1° |
C1 | C2 | C3 | O2 | 116.6° | 119.9° |
C1 | C2 | C3 | H2 | 123.8° | 119.9° |
C1 | C2 | O2 | H2 | 124.8° | 120.2° |
C1 | C2 | C3 | C4 | 64.5° | 53.8° |
C1 | C2 | C3 | O3 | 170.9° | 173.6° |
C1 | C2 | C3 | H3 | 54.2° | 66.0° |
C2 | C1 | O5 | C5 | 63.1° | 67.5° |
C2 | C1 | O1 | HO1 | 179.9° | 179.8° |
C1 | C2 | O2 | HO2 | 179.9° | 60.4° |
O1 | C1 | O5 | H1 | 120.0° | 119.7° |
O1 | C1 | C2 | C3 | 165.2° | 178.6° |
O1 | C1 | C2 | O2 | 48.7° | 58.7° |
O1 | C1 | C2 | H2 | 70.9° | 61.6° |
O1 | C1 | O5 | C5 | 176.5° | 172.3° |
O5 | C1 | C2 | C3 | 75.9° | 61.3° |
O5 | C1 | C2 | O2 | 167.6° | 178.8° |
O5 | C1 | C2 | H2 | 48.0° | 58.6° |
C1 | O5 | C5 | C4 | 35.2° | 67.5° |
C1 | O5 | C5 | C6 | 157.9° | 172.5° |
C1 | O5 | C5 | H5 | 79.8° | 52.5° |
O5 | C1 | O1 | HO1 | 60.9° | 59.8° |
H1 | C1 | C2 | C3 | 45.2° | 58.7° |
H1 | C1 | C2 | O2 | 71.3° | 61.2° |
H1 | C1 | C2 | H2 | 169.1° | 178.6° |
H1 | C1 | O5 | C5 | 56.5° | 52.5° |
H1 | C1 | O1 | HO1 | 60.3° | 60.0° |
C3 | C2 | O2 | H2 | 124.8° | 120.2° |
C2 | C3 | C4 | O3 | 125.7° | 119.9° |
C2 | C3 | C4 | H3 | 117.5° | 119.8° |
C2 | C3 | O3 | H3 | 117.2° | 120.5° |
C2 | C3 | C4 | C5 | 42.6° | 53.8° |
C2 | C3 | C4 | O4 | 81.3° | 66.1° |
C2 | C3 | C4 | H4 | 158.7° | 173.6° |
C3 | C2 | O2 | HO2 | 69.5° | 180.0° |
C2 | C3 | O3 | HO3 | 179.9° | 60.8° |
O2 | C2 | C3 | C4 | 178.9° | 173.7° |
O2 | C2 | C3 | O3 | 54.3° | 66.6° |
O2 | C2 | C3 | H3 | 62.4° | 53.9° |
H2 | C2 | C3 | C4 | 59.4° | 66.1° |
H2 | C2 | C3 | O3 | 65.2° | 53.6° |
H2 | C2 | C3 | H3 | 178.1° | 174.1° |
H2 | C2 | O2 | HO2 | 55.3° | 59.8° |
C4 | C3 | O3 | H3 | 118.6° | 120.3° |
C3 | C4 | C5 | O4 | 124.2° | 120.0° |
C3 | C4 | C5 | H4 | 115.7° | 119.8° |
C3 | C4 | O4 | H4 | 116.2° | 120.2° |
C3 | C4 | C5 | C6 | 142.9° | 178.7° |
C3 | C4 | C5 | O5 | 25.3° | 61.2° |
C3 | C4 | C5 | H5 | 95.0° | 58.8° |
C4 | C3 | O3 | HO3 | 55.9° | 179.9° |
C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
O3 | C3 | C4 | C5 | 168.3° | 173.6° |
O3 | C3 | C4 | O4 | 44.4° | 53.7° |
O3 | C3 | C4 | H4 | 75.7° | 66.5° |
H3 | C3 | C4 | C5 | 74.9° | 66.0° |
H3 | C3 | C4 | O4 | 161.2° | 174.1° |
H3 | C3 | C4 | H4 | 41.2° | 53.8° |
H3 | C3 | O3 | HO3 | 62.7° | 59.7° |
C5 | C4 | O4 | H4 | 116.7° | 120.2° |
C4 | C5 | C6 | O5 | 124.2° | 120.3° |
C4 | C5 | C6 | H5 | 115.1° | 119.8° |
C4 | C5 | O5 | H5 | 115.0° | 120.0° |
C4 | C5 | C6 | O6 | 93.6° | 179.7° |
C4 | C5 | C6 | H61 | 31.6° | 59.7° |
C4 | C5 | C6 | H62 | 141.2° | 60.3° |
C5 | C4 | O4 | HO4 | 52.9° | 180.0° |
O4 | C4 | C5 | C6 | 18.7° | 61.4° |
O4 | C4 | C5 | O5 | 98.9° | 58.8° |
O4 | C4 | C5 | H5 | 140.8° | 178.8° |
H4 | C4 | C5 | C6 | 101.4° | 58.9° |
H4 | C4 | C5 | O5 | 141.0° | 179.0° |
H4 | C4 | C5 | H5 | 20.7° | 61.0° |
H4 | C4 | O4 | HO4 | 63.8° | 59.8° |
C6 | C5 | O5 | H5 | 122.3° | 119.9° |
C5 | C6 | O6 | H61 | 125.2° | 120.0° |
C5 | C6 | O6 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H62 | 117.8° | 120.0° |
C5 | C6 | O6 | P | 127.8° | 180.0° |
O5 | C5 | C6 | O6 | 142.1° | 60.0° |
O5 | C5 | C6 | H61 | 92.6° | 180.0° |
O5 | C5 | C6 | H62 | 16.9° | 60.0° |
H5 | C5 | C6 | O6 | 21.5° | 59.9° |
H5 | C5 | C6 | H61 | 146.7° | 60.1° |
H5 | C5 | C6 | H62 | 103.8° | 180.0° |
O6 | C6 | H61 | H62 | 117.8° | 120.1° |
C6 | O6 | P | O1P | 71.7° | 60.0° |
C6 | O6 | P | O2P | 49.2° | 179.9° |
C6 | O6 | P | O3P | 169.6° | 60.0° |
H61 | C6 | O6 | P | 2.6° | 60.0° |
H62 | C6 | O6 | P | 106.9° | 60.0° |
O6 | P | O1P | O2P | 122.3° | 120.0° |
O6 | P | O1P | O3P | 118.3° | 120.0° |
O6 | P | O2P | O3P | 119.5° | 120.0° |
O6 | P | O2P | HOP2 | 180.0° | 180.0° |
O6 | P | O3P | HOP3 | 180.0° | 60.0° |
O1P | P | O2P | O3P | 118.9° | 120.0° |
O1P | P | O2P | HOP2 | 58.4° | 60.0° |
O1P | P | O3P | HOP3 | 60.4° | 180.0° |
O2P | P | O3P | HOP3 | 58.6° | 60.0° |
O3P | P | O2P | HOP2 | 60.5° | 60.0° |