KNA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C1 | doub | 1.21Å | 1.37Å | |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C1 | O1 | sing | 1.34Å | 1.24Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.55Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C9 | H9B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C1 | C2 | 119.5° | 120.0° |
O2 | C1 | O1 | 121.1° | 120.0° |
C2 | C1 | O1 | 119.4° | 120.0° |
C1 | C2 | C3 | 114.4° | 109.5° |
C1 | C2 | H2 | 107.9° | 109.5° |
C1 | C2 | H2A | 107.8° | 109.5° |
C1 | O1 | HO1 | 109.5° | 117.0° |
C3 | C2 | H2 | 107.8° | 109.5° |
C3 | C2 | H2A | 107.9° | 109.5° |
C2 | C3 | C4 | 108.3° | 109.5° |
C2 | C3 | H3 | 109.8° | 109.5° |
C2 | C3 | H3A | 109.9° | 109.4° |
H2 | C2 | H2A | 111.0° | 109.4° |
C4 | C3 | H3 | 109.8° | 109.5° |
C4 | C3 | H3A | 109.8° | 109.5° |
C3 | C4 | C5 | 112.1° | 109.5° |
C3 | C4 | H4 | 108.6° | 109.5° |
C3 | C4 | H4A | 108.6° | 109.5° |
H3 | C3 | H3A | 109.1° | 109.5° |
C5 | C4 | H4 | 108.6° | 109.4° |
C5 | C4 | H4A | 108.6° | 109.5° |
C4 | C5 | C6 | 110.4° | 109.5° |
C4 | C5 | H5 | 109.2° | 109.4° |
C4 | C5 | H5A | 109.2° | 109.5° |
H4 | C4 | H4A | 110.3° | 109.5° |
C6 | C5 | H5 | 109.1° | 109.5° |
C6 | C5 | H5A | 109.2° | 109.5° |
C5 | C6 | C7 | 108.8° | 109.4° |
C5 | C6 | H6 | 109.7° | 109.5° |
C5 | C6 | H6A | 109.7° | 109.5° |
H5 | C5 | H5A | 109.8° | 109.5° |
C7 | C6 | H6 | 109.7° | 109.4° |
C7 | C6 | H6A | 109.7° | 109.5° |
C6 | C7 | C8 | 113.2° | 109.5° |
C6 | C7 | H7 | 108.2° | 109.5° |
C6 | C7 | H7A | 108.2° | 109.5° |
H6 | C6 | H6A | 109.2° | 109.5° |
C8 | C7 | H7 | 108.2° | 109.4° |
C8 | C7 | H7A | 108.2° | 109.5° |
C7 | C8 | C9 | 109.2° | 109.5° |
C7 | C8 | H8 | 109.5° | 109.5° |
C7 | C8 | H8A | 109.6° | 109.5° |
H7 | C7 | H7A | 110.7° | 109.4° |
C9 | C8 | H8 | 109.5° | 109.5° |
C9 | C8 | H8A | 109.5° | 109.5° |
C8 | C9 | H9 | 109.5° | 109.4° |
C8 | C9 | H9A | 109.5° | 109.5° |
C8 | C9 | H9B | 109.5° | 109.4° |
H8 | C8 | H8A | 109.4° | 109.4° |
H9 | C9 | H9A | 109.5° | 109.5° |
H9 | C9 | H9B | 109.4° | 109.4° |
H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C1 | C2 | O1 | 179.5° | 179.7° |
O2 | C1 | O1 | HO1 | 0.0° | 0.3° |
O2 | C1 | C2 | C3 | 35.8° | 0.2° |
O2 | C1 | C2 | H2 | 155.8° | 120.3° |
O2 | C1 | C2 | H2A | 84.2° | 119.7° |
C2 | C1 | O1 | HO1 | 179.5° | 179.9° |
C1 | C2 | C3 | H2 | 120.0° | 120.1° |
C1 | C2 | C3 | H2A | 120.0° | 120.0° |
C1 | C2 | H2 | H2A | 117.9° | 120.0° |
C1 | C2 | C3 | C4 | 175.6° | 180.0° |
C1 | C2 | C3 | H3 | 64.4° | 60.0° |
C1 | C2 | C3 | H3A | 55.6° | 60.0° |
O1 | C1 | C2 | C3 | 144.7° | 180.0° |
O1 | C1 | C2 | H2 | 24.8° | 59.9° |
O1 | C1 | C2 | H2A | 95.2° | 60.0° |
C3 | C2 | H2 | H2A | 118.0° | 119.9° |
C2 | C3 | C4 | H3 | 120.0° | 120.0° |
C2 | C3 | C4 | H3A | 120.0° | 120.0° |
C2 | C3 | H3 | H3A | 120.5° | 120.0° |
C2 | C3 | C4 | C5 | 155.2° | 180.0° |
C2 | C3 | C4 | H4 | 35.2° | 60.0° |
C2 | C3 | C4 | H4A | 84.8° | 60.0° |
H2 | C2 | C3 | C4 | 55.6° | 60.0° |
H2 | C2 | C3 | H3 | 175.6° | 179.9° |
H2 | C2 | C3 | H3A | 64.4° | 60.1° |
H2A | C2 | C3 | C4 | 64.4° | 60.0° |
H2A | C2 | C3 | H3 | 55.6° | 60.0° |
H2A | C2 | C3 | H3A | 175.6° | 180.0° |
C4 | C3 | H3 | H3A | 120.5° | 120.1° |
C3 | C4 | C5 | H4 | 120.0° | 120.0° |
C3 | C4 | C5 | H4A | 120.0° | 120.0° |
C3 | C4 | H4 | H4A | 118.9° | 120.1° |
C3 | C4 | C5 | C6 | 129.1° | 180.0° |
C3 | C4 | C5 | H5 | 110.9° | 60.0° |
C3 | C4 | C5 | H5A | 9.1° | 60.0° |
H3 | C3 | C4 | C5 | 84.8° | 60.1° |
H3 | C3 | C4 | H4 | 155.2° | 180.0° |
H3 | C3 | C4 | H4A | 35.2° | 59.9° |
H3A | C3 | C4 | C5 | 35.2° | 60.0° |
H3A | C3 | C4 | H4 | 84.8° | 59.9° |
H3A | C3 | C4 | H4A | 155.2° | 180.0° |
C5 | C4 | H4 | H4A | 118.9° | 120.0° |
C4 | C5 | C6 | H5 | 120.0° | 119.9° |
C4 | C5 | C6 | H5A | 120.0° | 120.0° |
C4 | C5 | H5 | H5A | 119.7° | 120.0° |
C4 | C5 | C6 | C7 | 123.4° | 180.0° |
C4 | C5 | C6 | H6 | 116.6° | 60.1° |
C4 | C5 | C6 | H6A | 3.4° | 60.0° |
H4 | C4 | C5 | C6 | 9.1° | 60.0° |
H4 | C4 | C5 | H5 | 129.1° | 180.0° |
H4 | C4 | C5 | H5A | 110.9° | 60.0° |
H4A | C4 | C5 | C6 | 110.9° | 60.0° |
H4A | C4 | C5 | H5 | 9.1° | 60.0° |
H4A | C4 | C5 | H5A | 129.1° | 180.0° |
C6 | C5 | H5 | H5A | 119.6° | 120.1° |
C5 | C6 | C7 | H6 | 120.0° | 120.0° |
C5 | C6 | C7 | H6A | 120.0° | 120.0° |
C5 | C6 | H6 | H6A | 120.2° | 120.0° |
C5 | C6 | C7 | C8 | 146.9° | 180.0° |
C5 | C6 | C7 | H7 | 26.9° | 60.0° |
C5 | C6 | C7 | H7A | 93.1° | 60.0° |
H5 | C5 | C6 | C7 | 3.4° | 60.1° |
H5 | C5 | C6 | H6 | 123.4° | 180.0° |
H5 | C5 | C6 | H6A | 116.6° | 60.0° |
H5A | C5 | C6 | C7 | 116.6° | 60.0° |
H5A | C5 | C6 | H6 | 3.4° | 59.9° |
H5A | C5 | C6 | H6A | 123.4° | 180.0° |
C7 | C6 | H6 | H6A | 120.3° | 120.1° |
C6 | C7 | C8 | H7 | 120.0° | 120.0° |
C6 | C7 | C8 | H7A | 120.0° | 120.1° |
C6 | C7 | H7 | H7A | 118.5° | 120.1° |
C6 | C7 | C8 | C9 | 155.2° | 180.0° |
C6 | C7 | C8 | H8 | 84.9° | 60.0° |
C6 | C7 | C8 | H8A | 35.2° | 59.9° |
H6 | C6 | C7 | C8 | 93.1° | 60.0° |
H6 | C6 | C7 | H7 | 146.9° | 180.0° |
H6 | C6 | C7 | H7A | 26.9° | 60.0° |
H6A | C6 | C7 | C8 | 26.9° | 60.0° |
H6A | C6 | C7 | H7 | 93.0° | 60.0° |
H6A | C6 | C7 | H7A | 146.9° | 180.0° |
C8 | C7 | H7 | H7A | 118.5° | 119.9° |
C7 | C8 | C9 | H8 | 120.0° | 120.0° |
C7 | C8 | C9 | H8A | 120.0° | 120.0° |
C7 | C8 | H8 | H8A | 120.1° | 119.9° |
C7 | C8 | C9 | H9 | 180.0° | 60.0° |
C7 | C8 | C9 | H9A | 60.0° | 60.0° |
C7 | C8 | C9 | H9B | 60.0° | 180.0° |
H7 | C7 | C8 | C9 | 35.2° | 60.0° |
H7 | C7 | C8 | H8 | 155.2° | 180.0° |
H7 | C7 | C8 | H8A | 84.8° | 60.1° |
H7A | C7 | C8 | C9 | 84.8° | 59.9° |
H7A | C7 | C8 | H8 | 35.1° | 60.1° |
H7A | C7 | C8 | H8A | 155.2° | 180.0° |
C9 | C8 | H8 | H8A | 120.1° | 120.1° |
C8 | C9 | H9 | H9A | 120.0° | 120.1° |
C8 | C9 | H9 | H9B | 120.0° | 119.9° |
C8 | C9 | H9A | H9B | 120.0° | 120.0° |
H8 | C8 | C9 | H9 | 60.0° | 180.0° |
H8 | C8 | C9 | H9A | 180.0° | 60.0° |
H8 | C8 | C9 | H9B | 59.9° | 60.0° |
H8A | C8 | C9 | H9 | 60.0° | 60.0° |
H8A | C8 | C9 | H9A | 60.0° | 180.0° |
H8A | C8 | C9 | H9B | 180.0° | 59.9° |
H9 | C9 | H9A | H9B | 119.9° | 120.0° |