G16
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.57Å | |
C4 | O4 | sing | 1.43Å | 1.34Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.57Å | |
C5 | O5 | sing | 1.43Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.33Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O1 | P' | sing | 1.61Å | 1.49Å | |
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 | 1.54Å | |
P | O2P | sing | 1.61Å | 1.54Å | |
P | O3P | sing | 1.61Å | 1.52Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
P' | O1X | sing | 1.61Å | 1.52Å | |
P' | O2X | doub | 1.54Å | 1.51Å | |
P' | O3X | sing | 1.54Å | 1.52Å | |
O1X | HO1' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 103.1° | 109.2° |
C2 | C1 | O5 | 110.5° | 109.9° |
C2 | C1 | H1 | 114.3° | 109.4° |
C1 | C2 | C3 | 109.8° | 109.0° |
C1 | C2 | O2 | 111.3° | 109.5° |
C1 | C2 | H2 | 107.3° | 109.5° |
O1 | C1 | O5 | 113.0° | 109.4° |
O1 | C1 | H1 | 111.8° | 109.4° |
C1 | O1 | P' | 121.5° | 106.8° |
O5 | C1 | H1 | 104.5° | 109.4° |
C1 | O5 | C5 | 118.9° | 107.6° |
C3 | C2 | O2 | 107.4° | 109.8° |
C3 | C2 | H2 | 111.3° | 109.4° |
C2 | C3 | C4 | 113.6° | 108.8° |
C2 | C3 | O3 | 103.1° | 109.6° |
C2 | C3 | H3 | 110.3° | 109.6° |
O2 | C2 | H2 | 109.8° | 109.6° |
C2 | O2 | HO2 | 111.2° | 106.8° |
C4 | C3 | O3 | 107.0° | 109.6° |
C4 | C3 | H3 | 106.5° | 109.6° |
C3 | C4 | C5 | 113.5° | 109.0° |
C3 | C4 | O4 | 110.4° | 109.6° |
C3 | C4 | H4 | 107.5° | 109.5° |
O3 | C3 | H3 | 116.6° | 109.6° |
C3 | O3 | HO3 | 103.0° | 106.8° |
C5 | C4 | O4 | 113.2° | 109.6° |
C5 | C4 | H4 | 104.2° | 109.5° |
C4 | C5 | C6 | 108.8° | 109.5° |
C4 | C5 | O5 | 106.2° | 109.8° |
C4 | C5 | H5 | 113.5° | 109.4° |
O4 | C4 | H4 | 107.7° | 109.5° |
C4 | O4 | HO4 | 110.4° | 106.8° |
C6 | C5 | O5 | 113.5° | 109.4° |
C6 | C5 | H5 | 106.1° | 109.5° |
C5 | C6 | O6 | 109.7° | 109.5° |
C5 | C6 | H61 | 112.2° | 109.5° |
C5 | C6 | H62 | 112.2° | 109.5° |
O5 | C5 | H5 | 108.8° | 109.4° |
O6 | C6 | H61 | 112.1° | 109.5° |
O6 | C6 | H62 | 112.1° | 109.5° |
C6 | O6 | P | 120.9° | 106.8° |
H61 | C6 | H62 | 98.2° | 109.5° |
O1 | P' | O1X | 111.0° | 109.5° |
O1 | P' | O2X | 110.3° | 109.5° |
O1 | P' | O3X | 109.3° | 109.5° |
O6 | P | O1P | 109.4° | 109.5° |
O6 | P | O2P | 109.2° | 109.4° |
O6 | P | O3P | 109.9° | 109.5° |
O1P | P | O2P | 109.1° | 109.5° |
O1P | P | O3P | 110.3° | 109.5° |
O2P | P | O3P | 109.0° | 109.5° |
P | O2P | HOP2 | 109.1° | 106.8° |
P | O3P | HOP3 | 109.9° | 106.8° |
O1X | P' | O2X | 110.3° | 109.4° |
O1X | P' | O3X | 107.8° | 109.5° |
P' | O1X | HO1' | 111.0° | 106.8° |
O2X | P' | O3X | 108.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 119.3° | 120.4° |
C2 | C1 | O1 | H1 | 123.2° | 119.7° |
C2 | C1 | O5 | H1 | 123.4° | 120.1° |
C1 | C2 | C3 | O2 | 121.1° | 120.0° |
C1 | C2 | C3 | H2 | 118.7° | 119.7° |
C1 | C2 | O2 | H2 | 118.7° | 120.2° |
C1 | C2 | C3 | C4 | 49.4° | 53.5° |
C1 | C2 | C3 | O3 | 164.8° | 173.3° |
C1 | C2 | C3 | H3 | 70.1° | 66.4° |
C2 | C1 | O5 | C5 | 60.5° | 67.5° |
C2 | C1 | O1 | P' | 142.8° | 149.6° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 121.7° | 119.9° |
O1 | C1 | C2 | C3 | 69.2° | 59.1° |
O1 | C1 | C2 | O2 | 49.5° | 61.1° |
O1 | C1 | C2 | H2 | 169.7° | 178.7° |
O1 | C1 | O5 | C5 | 54.4° | 52.4° |
C1 | O1 | P' | O1X | 22.4° | 175.0° |
C1 | O1 | P' | O2X | 145.0° | 65.0° |
C1 | O1 | P' | O3X | 96.4° | 55.1° |
O5 | C1 | C2 | C3 | 51.8° | 61.0° |
O5 | C1 | C2 | O2 | 170.6° | 178.8° |
O5 | C1 | C2 | H2 | 69.3° | 58.6° |
C1 | O5 | C5 | C4 | 57.0° | 67.6° |
C1 | O5 | C5 | C6 | 176.6° | 172.3° |
C1 | O5 | C5 | H5 | 65.5° | 52.5° |
O5 | C1 | O1 | P' | 97.9° | 90.0° |
H1 | C1 | C2 | C3 | 169.3° | 178.8° |
H1 | C1 | C2 | O2 | 71.9° | 58.6° |
H1 | C1 | C2 | H2 | 48.2° | 61.6° |
H1 | C1 | O5 | C5 | 176.1° | 172.4° |
H1 | C1 | O1 | P' | 19.6° | 29.9° |
C3 | C2 | O2 | H2 | 121.1° | 120.2° |
C2 | C3 | C4 | O3 | 113.1° | 119.8° |
C2 | C3 | C4 | H3 | 121.6° | 119.8° |
C2 | C3 | O3 | H3 | 120.9° | 120.3° |
C2 | C3 | C4 | C5 | 49.9° | 53.6° |
C2 | C3 | C4 | O4 | 178.1° | 173.6° |
C2 | C3 | C4 | H4 | 64.7° | 66.2° |
C3 | C2 | O2 | HO2 | 59.8° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.4° |
O2 | C2 | C3 | C4 | 170.5° | 173.5° |
O2 | C2 | C3 | O3 | 74.0° | 66.7° |
O2 | C2 | C3 | H3 | 51.1° | 53.7° |
H2 | C2 | C3 | C4 | 69.3° | 66.3° |
H2 | C2 | C3 | O3 | 46.2° | 53.6° |
H2 | C2 | C3 | H3 | 171.3° | 173.9° |
H2 | C2 | O2 | HO2 | 61.3° | 60.1° |
C4 | C3 | O3 | H3 | 119.0° | 120.3° |
C3 | C4 | C5 | O4 | 126.8° | 120.0° |
C3 | C4 | C5 | H4 | 116.5° | 119.9° |
C3 | C4 | O4 | H4 | 117.0° | 120.2° |
C3 | C4 | C5 | C6 | 171.7° | 178.7° |
C3 | C4 | C5 | O5 | 49.1° | 61.2° |
C3 | C4 | C5 | H5 | 70.4° | 58.8° |
C4 | C3 | O3 | HO3 | 59.9° | 179.7° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 163.0° | 173.5° |
O3 | C3 | C4 | O4 | 68.8° | 66.6° |
O3 | C3 | C4 | H4 | 48.4° | 53.6° |
H3 | C3 | C4 | C5 | 71.7° | 66.2° |
H3 | C3 | C4 | O4 | 56.6° | 53.8° |
H3 | C3 | C4 | H4 | 173.7° | 173.9° |
H3 | C3 | O3 | HO3 | 59.1° | 59.9° |
C5 | C4 | O4 | H4 | 114.6° | 120.2° |
C4 | C5 | C6 | O5 | 118.0° | 120.3° |
C4 | C5 | C6 | H5 | 122.5° | 119.9° |
C4 | C5 | O5 | H5 | 122.5° | 120.1° |
C4 | C5 | C6 | O6 | 38.5° | 175.0° |
C4 | C5 | C6 | H61 | 163.8° | 55.0° |
C4 | C5 | C6 | H62 | 86.8° | 65.0° |
C5 | C4 | O4 | HO4 | 51.6° | 179.6° |
O4 | C4 | C5 | C6 | 61.6° | 58.8° |
O4 | C4 | C5 | O5 | 175.9° | 178.8° |
O4 | C4 | C5 | H5 | 56.4° | 61.2° |
H4 | C4 | C5 | C6 | 55.1° | 61.4° |
H4 | C4 | C5 | O5 | 67.4° | 58.7° |
H4 | C4 | C5 | H5 | 173.1° | 178.7° |
H4 | C4 | O4 | HO4 | 63.0° | 60.2° |
C6 | C5 | O5 | H5 | 117.9° | 119.8° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 118.1° | 120.0° |
C5 | C6 | O6 | P | 148.9° | 180.0° |
O5 | C5 | C6 | O6 | 79.5° | 64.7° |
O5 | C5 | C6 | H61 | 45.8° | 175.3° |
O5 | C5 | C6 | H62 | 155.2° | 55.3° |
H5 | C5 | C6 | O6 | 161.0° | 55.1° |
H5 | C5 | C6 | H61 | 73.7° | 64.9° |
H5 | C5 | C6 | H62 | 35.7° | 175.1° |
O6 | C6 | H61 | H62 | 118.0° | 120.0° |
C6 | O6 | P | O1P | 44.5° | 55.0° |
C6 | O6 | P | O2P | 163.8° | 175.0° |
C6 | O6 | P | O3P | 76.7° | 65.0° |
H61 | C6 | O6 | P | 85.8° | 60.0° |
H62 | C6 | O6 | P | 23.5° | 60.0° |
O1 | P' | O1X | O2X | 122.6° | 120.0° |
O1 | P' | O1X | O3X | 119.7° | 120.0° |
O1 | P' | O2X | O3X | 119.4° | 120.1° |
O1 | P' | O1X | HO1' | 179.9° | 180.0° |
O6 | P | O1P | O2P | 119.3° | 120.0° |
O6 | P | O1P | O3P | 121.0° | 120.0° |
O6 | P | O2P | O3P | 120.0° | 120.0° |
O6 | P | O2P | HOP2 | 180.0° | 180.0° |
O6 | P | O3P | HOP3 | 180.0° | 60.0° |
O1P | P | O2P | O3P | 120.5° | 120.0° |
O1P | P | O2P | HOP2 | 60.5° | 60.0° |
O1P | P | O3P | HOP3 | 59.3° | 180.0° |
O2P | P | O3P | HOP3 | 60.4° | 60.0° |
O3P | P | O2P | HOP2 | 60.0° | 60.0° |
O1X | P' | O2X | O3X | 117.6° | 120.0° |
O2X | P' | O1X | HO1' | 57.4° | 60.0° |
O3X | P' | O1X | HO1' | 60.3° | 60.0° |