D6G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.58Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | O5 | sing | 1.43Å | 1.47Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.60Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.40Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | P | sing | 1.61Å | 1.63Å | |
P | O1P | doub | 1.48Å | 1.51Å | |
P | O2P | sing | 1.61Å | 1.49Å | |
P | O3P | sing | 1.61Å | 1.53Å | |
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 | 114.1° | 109.5° |
C2 | C1 | O5 | 110.0° | 109.4° |
C2 | C1 | H1 | 106.6° | 109.5° |
C1 | C2 | C3 | 111.8° | 109.2° |
C1 | C2 | H2 | 108.9° | 109.5° |
C1 | C2 | H22 | 108.9° | 109.5° |
O1 | C1 | O5 | 109.7° | 109.5° |
O1 | C1 | H1 | 108.3° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.1° |
O5 | C1 | H1 | 107.9° | 109.5° |
C1 | O5 | C5 | 117.4° | 114.1° |
C3 | C2 | H2 | 108.9° | 109.5° |
C3 | C2 | H22 | 108.9° | 109.6° |
C2 | C3 | C4 | 111.4° | 109.0° |
C2 | C3 | O3 | 112.6° | 109.5° |
C2 | C3 | H3 | 107.6° | 109.5° |
H2 | C2 | H22 | 109.5° | 109.5° |
C4 | C3 | O3 | 108.1° | 109.6° |
C4 | C3 | H3 | 107.7° | 109.5° |
C3 | C4 | C5 | 110.4° | 109.2° |
C3 | C4 | O4 | 107.4° | 109.5° |
C3 | C4 | H4 | 108.9° | 109.5° |
O3 | C3 | H3 | 109.3° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 111.3° | 109.5° |
C5 | C4 | H4 | 108.3° | 109.5° |
C4 | C5 | C6 | 111.4° | 109.5° |
C4 | C5 | O5 | 110.3° | 109.4° |
C4 | C5 | H5 | 108.5° | 109.5° |
O4 | C4 | H4 | 110.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.1° |
C6 | C5 | O5 | 106.6° | 109.4° |
C6 | C5 | H5 | 109.7° | 109.5° |
C5 | C6 | O6 | 110.6° | 109.5° |
C5 | C6 | H61 | 109.2° | 109.5° |
C5 | C6 | H62 | 109.2° | 109.5° |
O5 | C5 | H5 | 110.5° | 109.5° |
O6 | C6 | H61 | 109.2° | 109.5° |
O6 | C6 | H62 | 109.2° | 109.5° |
C6 | O6 | P | 124.6° | 123.0° |
H61 | C6 | H62 | 109.5° | 109.4° |
O6 | P | O1P | 105.3° | 109.5° |
O6 | P | O2P | 108.9° | 109.5° |
O6 | P | O3P | 102.1° | 109.5° |
O1P | P | O2P | 109.5° | 109.5° |
O1P | P | O3P | 118.0° | 109.5° |
O2P | P | O3P | 112.2° | 109.5° |
P | O2P | HOP2 | 109.5° | 114.0° |
P | O3P | HOP3 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 124.0° | 119.9° |
C2 | C1 | O1 | H1 | 118.5° | 120.1° |
C2 | C1 | O5 | H1 | 115.9° | 120.0° |
C1 | C2 | C3 | H2 | 120.3° | 119.9° |
C1 | C2 | C3 | H22 | 120.3° | 119.9° |
C1 | C2 | H2 | H22 | 118.9° | 120.1° |
C1 | C2 | C3 | C4 | 52.3° | 57.0° |
C1 | C2 | C3 | O3 | 174.0° | 176.9° |
C1 | C2 | C3 | H3 | 65.5° | 62.9° |
C2 | C1 | O5 | C5 | 55.9° | 61.2° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
O1 | C1 | O5 | H1 | 117.8° | 120.0° |
O1 | C1 | C2 | C3 | 72.5° | 62.3° |
O1 | C1 | C2 | H2 | 47.9° | 57.6° |
O1 | C1 | C2 | H22 | 167.2° | 177.7° |
O1 | C1 | O5 | C5 | 70.4° | 58.8° |
O5 | C1 | C2 | C3 | 51.3° | 57.6° |
O5 | C1 | C2 | H2 | 171.7° | 177.5° |
O5 | C1 | C2 | H22 | 69.0° | 62.4° |
C1 | O5 | C5 | C4 | 56.8° | 61.2° |
C1 | O5 | C5 | C6 | 177.8° | 178.8° |
C1 | O5 | C5 | H5 | 63.1° | 58.9° |
O5 | C1 | O1 | HO1 | 56.1° | 60.1° |
H1 | C1 | C2 | C3 | 168.0° | 177.6° |
H1 | C1 | C2 | H2 | 71.6° | 62.5° |
H1 | C1 | C2 | H22 | 47.7° | 57.6° |
H1 | C1 | O5 | C5 | 171.7° | 178.8° |
H1 | C1 | O1 | HO1 | 61.5° | 59.9° |
C3 | C2 | H2 | H22 | 118.9° | 120.2° |
C2 | C3 | C4 | O3 | 124.2° | 119.8° |
C2 | C3 | C4 | H3 | 117.8° | 119.9° |
C2 | C3 | O3 | H3 | 119.6° | 120.2° |
C2 | C3 | C4 | C5 | 52.3° | 57.0° |
C2 | C3 | C4 | O4 | 173.8° | 176.9° |
C2 | C3 | C4 | H4 | 66.4° | 62.9° |
C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
H2 | C2 | C3 | C4 | 172.6° | 176.9° |
H2 | C2 | C3 | O3 | 65.7° | 63.3° |
H2 | C2 | C3 | H3 | 54.8° | 57.0° |
H22 | C2 | C3 | C4 | 68.0° | 62.9° |
H22 | C2 | C3 | O3 | 53.6° | 56.9° |
H22 | C2 | C3 | H3 | 174.2° | 177.2° |
C4 | C3 | O3 | H3 | 116.9° | 120.2° |
C3 | C4 | C5 | O4 | 119.1° | 119.9° |
C3 | C4 | C5 | H4 | 119.1° | 119.9° |
C3 | C4 | O4 | H4 | 118.7° | 120.2° |
C3 | C4 | C5 | C6 | 170.9° | 177.6° |
C3 | C4 | C5 | O5 | 52.8° | 57.6° |
C3 | C4 | C5 | H5 | 68.3° | 62.4° |
C4 | C3 | O3 | HO3 | 56.5° | 179.6° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 176.5° | 176.8° |
O3 | C3 | C4 | O4 | 62.0° | 63.3° |
O3 | C3 | C4 | H4 | 57.8° | 57.0° |
H3 | C3 | C4 | C5 | 65.5° | 62.9° |
H3 | C3 | C4 | O4 | 56.0° | 57.1° |
H3 | C3 | C4 | H4 | 175.8° | 177.3° |
H3 | C3 | O3 | HO3 | 60.5° | 60.1° |
C5 | C4 | O4 | H4 | 120.4° | 120.1° |
C4 | C5 | C6 | O5 | 120.3° | 119.9° |
C4 | C5 | C6 | H5 | 120.1° | 120.1° |
C4 | C5 | O5 | H5 | 119.9° | 120.0° |
C4 | C5 | C6 | O6 | 165.1° | 175.0° |
C4 | C5 | C6 | H61 | 45.0° | 55.0° |
C4 | C5 | C6 | H62 | 74.8° | 64.9° |
C5 | C4 | O4 | HO4 | 59.1° | 179.7° |
O4 | C4 | C5 | C6 | 69.9° | 62.5° |
O4 | C4 | C5 | O5 | 172.0° | 177.5° |
O4 | C4 | C5 | H5 | 50.9° | 57.5° |
H4 | C4 | C5 | C6 | 51.9° | 57.7° |
H4 | C4 | C5 | O5 | 66.2° | 62.3° |
H4 | C4 | C5 | H5 | 172.6° | 177.7° |
H4 | C4 | O4 | HO4 | 61.3° | 60.2° |
C6 | C5 | O5 | H5 | 119.1° | 120.0° |
C5 | C6 | O6 | H61 | 120.1° | 120.0° |
C5 | C6 | O6 | H62 | 120.1° | 120.1° |
C5 | C6 | H61 | H62 | 119.5° | 120.0° |
C5 | C6 | O6 | P | 168.4° | 180.0° |
O5 | C5 | C6 | O6 | 74.6° | 65.1° |
O5 | C5 | C6 | H61 | 165.3° | 174.9° |
O5 | C5 | C6 | H62 | 45.5° | 55.0° |
H5 | C5 | C6 | O6 | 45.0° | 54.9° |
H5 | C5 | C6 | H61 | 75.1° | 65.1° |
H5 | C5 | C6 | H62 | 165.2° | 175.0° |
O6 | C6 | H61 | H62 | 119.5° | 120.0° |
C6 | O6 | P | O1P | 62.3° | 55.0° |
C6 | O6 | P | O2P | 179.6° | 65.0° |
C6 | O6 | P | O3P | 61.6° | 175.0° |
H61 | C6 | O6 | P | 48.3° | 60.0° |
H62 | C6 | O6 | P | 71.4° | 60.0° |
O6 | P | O1P | O2P | 116.9° | 120.0° |
O6 | P | O1P | O3P | 113.1° | 120.0° |
O6 | P | O2P | O3P | 112.3° | 120.0° |
O6 | P | O2P | HOP2 | 114.6° | 60.0° |
O6 | P | O3P | HOP3 | 114.9° | 180.0° |
O1P | P | O2P | O3P | 133.1° | 120.0° |
O1P | P | O2P | HOP2 | 0.0° | 180.0° |
O1P | P | O3P | HOP3 | 0.0° | 60.0° |
O2P | P | O3P | HOP3 | 128.7° | 60.0° |
O3P | P | O2P | HOP2 | 133.1° | 60.0° |