H6Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | sing | 1.43Å | 1.43Å | |
C6 | C5 | sing | 1.53Å | 1.54Å | |
O4 | C4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.57Å | |
C4 | C3 | sing | 1.53Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
O5 | C1 | sing | 1.43Å | 1.44Å | |
O3 | C3 | sing | 1.43Å | 1.45Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C2 | C1 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
O4A | P1 | doub | 1.48Å | 1.47Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
O5A | P1 | sing | 1.61Å | 1.62Å | |
O5A | C2A | sing | 1.43Å | 1.44Å | |
C3A | C2A | sing | 1.53Å | 1.53Å | |
P1 | O2 | sing | 1.61Å | 1.60Å | |
P1 | O3A | sing | 1.61Å | 1.48Å | |
O2A | C1A | sing | 1.43Å | 1.43Å | |
C2A | C1A | sing | 1.53Å | 1.54Å | |
C1A | O1A | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C2A | H5A | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O1A | H7 | sing | 0.97Å | 0.95Å | |
O2A | H8 | sing | 0.97Å | 0.95Å | |
C3A | H9 | sing | 1.09Å | 1.10Å | |
C3A | H10 | sing | 1.09Å | 1.10Å | |
C3A | H11 | sing | 1.09Å | 1.10Å | |
O3A | H12 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C1A | H19 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | C5 | 110.1° | 109.4° |
O6 | C6 | H61 | 109.3° | 109.5° |
O6 | C6 | H62 | 109.3° | 109.5° |
C6 | O6 | HO6 | 109.5° | 113.9° |
C6 | C5 | C4 | 113.0° | 109.5° |
C6 | C5 | O5 | 107.6° | 109.4° |
C5 | C6 | H61 | 109.3° | 109.5° |
C5 | C6 | H62 | 109.3° | 109.4° |
C6 | C5 | H5 | 108.3° | 109.5° |
O4 | C4 | C5 | 109.2° | 109.5° |
O4 | C4 | C3 | 109.2° | 109.5° |
O4 | C4 | H4 | 110.9° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | C3 | 109.6° | 109.2° |
C4 | C5 | O5 | 110.1° | 109.4° |
C5 | C4 | H4 | 108.8° | 109.6° |
C4 | C5 | H5 | 108.1° | 109.5° |
C4 | C3 | O3 | 110.0° | 109.6° |
C4 | C3 | C2 | 111.5° | 109.0° |
C4 | C3 | H3 | 108.2° | 109.6° |
C3 | C4 | H4 | 109.1° | 109.5° |
C5 | O5 | C1 | 114.1° | 114.0° |
O5 | C5 | H5 | 109.8° | 109.5° |
O5 | C1 | C2 | 110.1° | 109.4° |
O5 | C1 | O1 | 107.5° | 109.5° |
O5 | C1 | H1 | 110.2° | 109.5° |
O3 | C3 | C2 | 109.2° | 109.5° |
O3 | C3 | H3 | 109.6° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C2 | C1 | 110.9° | 109.2° |
C3 | C2 | O2 | 108.7° | 109.5° |
C2 | C3 | H3 | 108.3° | 109.5° |
C3 | C2 | H2 | 109.3° | 109.5° |
C1 | C2 | O2 | 107.7° | 109.6° |
C2 | C1 | O1 | 110.2° | 109.5° |
C1 | C2 | H2 | 109.3° | 109.5° |
C2 | C1 | H1 | 108.7° | 109.5° |
C2 | O2 | P1 | 122.3° | 123.0° |
O2 | C2 | H2 | 110.9° | 109.6° |
O4A | P1 | O5A | 106.4° | 109.5° |
O4A | P1 | O2 | 111.0° | 109.5° |
O4A | P1 | O3A | 119.0° | 109.5° |
O1 | C1 | H1 | 110.2° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
P1 | O5A | C2A | 121.8° | 123.0° |
O5A | P1 | O2 | 103.1° | 109.5° |
O5A | P1 | O3A | 111.5° | 109.4° |
O5A | C2A | C3A | 108.6° | 109.5° |
O5A | C2A | C1A | 110.7° | 109.5° |
O5A | C2A | H5A | 110.1° | 109.5° |
C3A | C2A | C1A | 109.9° | 109.5° |
C3A | C2A | H5A | 108.8° | 109.5° |
C2A | C3A | H9 | 109.5° | 109.5° |
C2A | C3A | H10 | 109.5° | 109.5° |
C2A | C3A | H11 | 109.5° | 109.5° |
O2 | P1 | O3A | 104.7° | 109.5° |
P1 | O3A | H12 | 109.5° | 114.0° |
O2A | C1A | C2A | 111.1° | 109.5° |
O2A | C1A | O1A | 109.1° | 109.5° |
C1A | O2A | H8 | 109.5° | 114.0° |
O2A | C1A | H19 | 109.2° | 109.5° |
C2A | C1A | O1A | 110.4° | 109.5° |
C1A | C2A | H5A | 108.8° | 109.4° |
C2A | C1A | H19 | 107.8° | 109.4° |
C1A | O1A | H7 | 109.5° | 114.0° |
O1A | C1A | H19 | 109.2° | 109.5° |
H61 | C6 | H62 | 109.4° | 109.5° |
H9 | C3A | H10 | 109.4° | 109.4° |
H9 | C3A | H11 | 109.5° | 109.5° |
H10 | C3A | H11 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | H61 | 120.1° | 120.0° |
O6 | C6 | C5 | H62 | 120.1° | 120.0° |
O6 | C6 | C5 | C4 | 52.8° | 175.0° |
O6 | C6 | C5 | O5 | 68.9° | 65.1° |
O6 | C6 | H61 | H62 | 119.7° | 120.1° |
O6 | C6 | C5 | H5 | 172.5° | 55.0° |
C6 | C5 | C4 | O4 | 65.5° | 62.5° |
C6 | C5 | C4 | O5 | 120.3° | 119.9° |
C6 | C5 | C4 | H5 | 119.9° | 120.0° |
C6 | C5 | C4 | C3 | 174.9° | 177.6° |
C6 | C5 | O5 | H5 | 117.7° | 120.0° |
C6 | C5 | O5 | C1 | 174.5° | 178.9° |
C5 | C6 | H61 | H62 | 119.7° | 120.0° |
C6 | C5 | C4 | H4 | 55.6° | 57.7° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O4 | C4 | C5 | C3 | 119.6° | 119.9° |
O4 | C4 | C5 | H4 | 121.2° | 120.2° |
O4 | C4 | C3 | H4 | 121.3° | 120.1° |
O4 | C4 | C5 | O5 | 174.2° | 177.5° |
O4 | C4 | C3 | O3 | 68.4° | 63.2° |
O4 | C4 | C3 | C2 | 170.3° | 176.9° |
O4 | C4 | C3 | H3 | 51.2° | 57.1° |
O4 | C4 | C5 | H5 | 54.3° | 57.5° |
C5 | C4 | C3 | H4 | 119.1° | 120.0° |
C4 | C5 | O5 | H5 | 118.8° | 120.0° |
C4 | C5 | O5 | C1 | 61.9° | 61.2° |
C5 | C4 | C3 | O3 | 172.0° | 176.9° |
C5 | C4 | C3 | C2 | 50.7° | 57.0° |
C4 | C5 | C6 | H61 | 67.3° | 55.0° |
C4 | C5 | C6 | H62 | 172.9° | 65.0° |
C5 | C4 | C3 | H3 | 68.4° | 62.8° |
C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 54.6° | 57.7° |
C4 | C3 | O3 | C2 | 122.7° | 119.6° |
C4 | C3 | O3 | H3 | 118.8° | 120.3° |
C4 | C3 | C2 | H3 | 119.0° | 119.9° |
C4 | C3 | C2 | C1 | 51.0° | 57.0° |
C4 | C3 | C2 | O2 | 169.3° | 176.9° |
C4 | C3 | C2 | H2 | 69.5° | 62.9° |
C4 | C3 | O3 | HO3 | 180.0° | 60.4° |
C3 | C4 | O4 | HO4 | 60.1° | 179.7° |
C3 | C4 | C5 | H5 | 65.3° | 62.4° |
C5 | O5 | C1 | C2 | 61.7° | 61.2° |
C5 | O5 | C1 | O1 | 178.3° | 178.9° |
O5 | C5 | C6 | H61 | 171.0° | 175.0° |
O5 | C5 | C6 | H62 | 51.2° | 54.9° |
O5 | C5 | C4 | H4 | 64.6° | 62.2° |
C5 | O5 | C1 | H1 | 58.2° | 58.8° |
O5 | C1 | C2 | C3 | 54.6° | 57.6° |
O5 | C1 | C2 | O1 | 118.4° | 120.0° |
O5 | C1 | C2 | H1 | 120.7° | 120.0° |
O5 | C1 | C2 | O2 | 173.5° | 177.5° |
O5 | C1 | O1 | H1 | 120.1° | 120.0° |
O5 | C1 | C2 | H2 | 66.0° | 62.2° |
C1 | O5 | C5 | H5 | 56.9° | 58.8° |
O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
O3 | C3 | C2 | H3 | 119.3° | 120.2° |
O3 | C3 | C2 | C1 | 172.8° | 176.9° |
O3 | C3 | C2 | O2 | 69.0° | 63.1° |
O3 | C3 | C4 | H4 | 52.9° | 56.9° |
O3 | C3 | C2 | H2 | 52.3° | 57.0° |
C3 | C2 | C1 | O2 | 118.9° | 119.9° |
C3 | C2 | C1 | H2 | 120.6° | 119.8° |
C3 | C2 | O2 | H2 | 120.2° | 120.1° |
C3 | C2 | C1 | O1 | 173.0° | 177.6° |
C3 | C2 | O2 | P1 | 113.3° | 120.0° |
C2 | C3 | C4 | H4 | 68.4° | 63.0° |
C2 | C3 | O3 | HO3 | 57.4° | 180.0° |
C3 | C2 | C1 | H1 | 66.1° | 62.4° |
C1 | C2 | O2 | H2 | 119.5° | 120.2° |
C2 | C1 | O1 | H1 | 119.9° | 120.0° |
C1 | C2 | O2 | P1 | 126.4° | 120.3° |
C1 | C2 | C3 | H3 | 67.9° | 62.9° |
C2 | C1 | O1 | HO1 | 60.0° | 180.0° |
C2 | O2 | P1 | O4A | 29.6° | 55.0° |
O2 | C2 | C1 | O1 | 68.1° | 62.5° |
C2 | O2 | P1 | O5A | 84.0° | 175.0° |
C2 | O2 | P1 | O3A | 159.2° | 65.0° |
O2 | C2 | C3 | H3 | 50.3° | 57.0° |
O2 | C2 | C1 | H1 | 52.7° | 57.5° |
O4A | P1 | O5A | O2 | 116.9° | 120.0° |
O4A | P1 | O5A | O3A | 131.3° | 120.0° |
O4A | P1 | O5A | C2A | 134.1° | 55.0° |
O4A | P1 | O2 | O3A | 129.6° | 120.0° |
O4A | P1 | O3A | H12 | 0.0° | 180.0° |
O1 | C1 | C2 | H2 | 52.5° | 57.7° |
P1 | O5A | C2A | C3A | 121.6° | 120.0° |
O5A | P1 | O2 | O3A | 116.8° | 120.0° |
P1 | O5A | C2A | C1A | 117.6° | 120.0° |
P1 | O5A | C2A | H5A | 2.6° | 0.0° |
O5A | P1 | O3A | H12 | 124.5° | 60.0° |
O5A | C2A | C3A | C1A | 121.2° | 120.0° |
O5A | C2A | C3A | H5A | 119.8° | 120.0° |
C2A | O5A | P1 | O2 | 109.0° | 175.0° |
C2A | O5A | P1 | O3A | 2.9° | 65.0° |
O5A | C2A | C1A | O2A | 22.1° | 180.0° |
O5A | C2A | C1A | H5A | 121.1° | 120.0° |
O5A | C2A | C1A | O1A | 143.2° | 60.0° |
O5A | C2A | C3A | H9 | 180.0° | 180.0° |
O5A | C2A | C3A | H10 | 60.0° | 60.0° |
O5A | C2A | C3A | H11 | 60.0° | 60.0° |
O5A | C2A | C1A | H19 | 97.6° | 60.0° |
C3A | C2A | C1A | O2A | 142.0° | 60.0° |
C3A | C2A | C1A | H5A | 119.0° | 120.0° |
C3A | C2A | C1A | O1A | 96.8° | 180.0° |
C2A | C3A | H9 | H10 | 120.0° | 120.0° |
C2A | C3A | H9 | H11 | 120.0° | 120.0° |
C2A | C3A | H10 | H11 | 120.0° | 120.0° |
C3A | C2A | C1A | H19 | 22.3° | 60.0° |
P1 | O2 | C2 | H2 | 6.9° | 0.1° |
O2 | P1 | O3A | H12 | 124.7° | 60.0° |
O2A | C1A | C2A | O1A | 121.1° | 120.0° |
O2A | C1A | C2A | H19 | 119.7° | 120.0° |
O2A | C1A | O1A | H19 | 119.3° | 120.0° |
O2A | C1A | C2A | H5A | 99.0° | 60.0° |
O2A | C1A | O1A | H7 | 180.0° | 60.0° |
C2A | C1A | O1A | H19 | 118.4° | 120.0° |
C2A | C1A | O1A | H7 | 57.6° | 60.0° |
C2A | C1A | O2A | H8 | 180.0° | 180.0° |
C1A | C2A | C3A | H9 | 58.8° | 60.0° |
C1A | C2A | C3A | H10 | 178.8° | 180.0° |
C1A | C2A | C3A | H11 | 61.2° | 60.0° |
O1A | C1A | C2A | H5A | 22.2° | 60.0° |
O1A | C1A | O2A | H8 | 58.1° | 60.0° |
H61 | C6 | C5 | H5 | 52.4° | 65.0° |
H61 | C6 | O6 | HO6 | 59.9° | 60.1° |
H62 | C6 | C5 | H5 | 67.4° | 174.9° |
H62 | C6 | O6 | HO6 | 59.9° | 60.0° |
H3 | C3 | C4 | H4 | 172.5° | 177.2° |
H3 | C3 | C2 | H2 | 171.5° | 177.2° |
H3 | C3 | O3 | HO3 | 61.2° | 59.8° |
H4 | C4 | O4 | HO4 | 60.1° | 60.2° |
H4 | C4 | C5 | H5 | 175.5° | 177.7° |
H5A | C2A | C3A | H9 | 60.2° | 60.0° |
H5A | C2A | C3A | H10 | 59.8° | 60.0° |
H5A | C2A | C3A | H11 | 179.8° | 180.0° |
H5A | C2A | C1A | H19 | 141.4° | 180.0° |
H2 | C2 | C1 | H1 | 173.3° | 177.8° |
H7 | O1A | C1A | H19 | 60.7° | 180.0° |
H8 | O2A | C1A | H19 | 61.2° | 60.0° |
H9 | C3A | H10 | H11 | 120.0° | 120.0° |
H1 | C1 | O1 | HO1 | 59.9° | 59.9° |