HND
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
H1 | C1 | sing | 1.09Å | 1.10Å | |
C2 | C1 | sing | 1.53Å | 1.54Å | |
C1 | O11 | sing | 1.43Å | 1.43Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
H2 | C2 | sing | 1.09Å | 1.10Å | |
H2A | C2 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C4 | C3 | sing | 1.53Å | 1.56Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
H4 | C4 | sing | 1.09Å | 1.10Å | |
C5 | C4 | sing | 1.53Å | 1.55Å | |
C4 | O10 | sing | 1.43Å | 1.45Å | |
H5A | C5 | sing | 1.09Å | 1.10Å | |
C6 | C5 | sing | 1.53Å | 1.55Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C7 | C6 | sing | 1.53Å | 1.55Å | |
H6 | C6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
H7 | C7 | sing | 1.09Å | 1.10Å | |
H7A | C7 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.54Å | |
C9 | C8 | sing | 1.53Å | 1.53Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
H9 | C9 | sing | 1.09Å | 1.10Å | |
H9A | C9 | sing | 1.09Å | 1.10Å | |
C9 | H9B | sing | 1.09Å | 1.10Å | |
HO10 | O10 | sing | 0.97Å | 0.95Å | |
HO11 | O11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
H1 | C1 | C2 | 109.5° | 109.4° |
H1 | C1 | O11 | 109.5° | 109.5° |
H1 | C1 | H1A | 109.4° | 109.5° |
C2 | C1 | O11 | 109.4° | 109.4° |
C2 | C1 | H1A | 109.5° | 109.4° |
C1 | C2 | H2 | 109.1° | 109.5° |
C1 | C2 | H2A | 108.9° | 109.4° |
C1 | C2 | C3 | 110.5° | 109.5° |
O11 | C1 | H1A | 109.5° | 109.5° |
C1 | O11 | HO11 | 109.5° | 114.0° |
H2 | C2 | H2A | 110.3° | 109.4° |
H2 | C2 | C3 | 109.1° | 109.5° |
H2A | C2 | C3 | 108.9° | 109.5° |
C2 | C3 | C4 | 112.2° | 109.5° |
C2 | C3 | H3 | 108.6° | 109.4° |
C2 | C3 | H3A | 107.9° | 109.5° |
C4 | C3 | H3 | 108.5° | 109.5° |
C4 | C3 | H3A | 108.0° | 109.5° |
C3 | C4 | H4 | 107.1° | 109.5° |
C3 | C4 | C5 | 111.9° | 109.5° |
C3 | C4 | O10 | 110.3° | 109.5° |
H3 | C3 | H3A | 111.6° | 109.5° |
H4 | C4 | C5 | 108.4° | 109.4° |
H4 | C4 | O10 | 110.1° | 109.5° |
C5 | C4 | O10 | 109.0° | 109.5° |
C4 | C5 | H5A | 107.7° | 109.4° |
C4 | C5 | C6 | 114.8° | 109.4° |
C4 | C5 | H5 | 106.5° | 109.4° |
C4 | O10 | HO10 | 109.5° | 114.0° |
H5A | C5 | C6 | 107.7° | 109.5° |
H5A | C5 | H5 | 113.7° | 109.5° |
C6 | C5 | H5 | 106.6° | 109.5° |
C5 | C6 | C7 | 113.5° | 109.5° |
C5 | C6 | H6 | 108.2° | 109.5° |
C5 | C6 | H6A | 107.2° | 109.5° |
C7 | C6 | H6 | 108.1° | 109.5° |
C7 | C6 | H6A | 107.2° | 109.5° |
C6 | C7 | H7 | 108.7° | 109.5° |
C6 | C7 | H7A | 108.1° | 109.5° |
C6 | C7 | C8 | 111.9° | 109.5° |
H6 | C6 | H6A | 112.7° | 109.5° |
H7 | C7 | H7A | 111.4° | 109.5° |
H7 | C7 | C8 | 108.7° | 109.4° |
H7A | C7 | C8 | 108.1° | 109.5° |
C7 | C8 | C9 | 111.1° | 109.5° |
C7 | C8 | H8 | 108.9° | 109.5° |
C7 | C8 | H8A | 108.6° | 109.5° |
C9 | C8 | H8 | 109.0° | 109.5° |
C9 | C8 | H8A | 108.6° | 109.5° |
C8 | C9 | H9 | 109.5° | 109.5° |
C8 | C9 | H9A | 109.5° | 109.5° |
C8 | C9 | H9B | 109.4° | 109.5° |
H8 | C8 | H8A | 110.7° | 109.5° |
H9 | C9 | H9A | 109.5° | 109.4° |
H9 | C9 | H9B | 109.5° | 109.4° |
H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
H1 | C1 | C2 | O11 | 120.0° | 119.9° |
H1 | C1 | C2 | H1A | 120.0° | 120.0° |
H1 | C1 | O11 | H1A | 119.9° | 120.1° |
H1 | C1 | C2 | H2 | 173.8° | 60.0° |
H1 | C1 | C2 | H2A | 65.7° | 179.9° |
H1 | C1 | C2 | C3 | 53.8° | 60.0° |
H1 | C1 | O11 | HO11 | 54.8° | 60.1° |
C2 | C1 | O11 | H1A | 120.0° | 120.0° |
C1 | C2 | H2 | H2A | 119.6° | 119.9° |
C1 | C2 | H2 | C3 | 120.8° | 120.0° |
C1 | C2 | H2A | C3 | 120.6° | 120.0° |
C1 | C2 | C3 | C4 | 171.9° | 180.0° |
C1 | C2 | C3 | H3 | 51.9° | 60.0° |
C1 | C2 | C3 | H3A | 69.3° | 60.0° |
C2 | C1 | O11 | HO11 | 65.2° | 180.0° |
O11 | C1 | C2 | H2 | 53.8° | 59.9° |
O11 | C1 | C2 | H2A | 174.2° | 60.0° |
O11 | C1 | C2 | C3 | 66.2° | 180.0° |
H1A | C1 | C2 | H2 | 66.2° | 180.0° |
H1A | C1 | C2 | H2A | 54.2° | 60.0° |
H1A | C1 | C2 | C3 | 173.8° | 60.0° |
H1A | C1 | O11 | HO11 | 174.8° | 60.1° |
H2 | C2 | H2A | C3 | 119.7° | 120.0° |
H2 | C2 | C3 | C4 | 68.1° | 60.0° |
H2 | C2 | C3 | H3 | 171.9° | 180.0° |
H2 | C2 | C3 | H3A | 50.7° | 60.0° |
H2A | C2 | C3 | C4 | 52.3° | 60.0° |
H2A | C2 | C3 | H3 | 67.7° | 60.0° |
H2A | C2 | C3 | H3A | 171.2° | 180.0° |
C2 | C3 | C4 | H3 | 120.0° | 120.0° |
C2 | C3 | C4 | H3A | 118.8° | 120.0° |
C2 | C3 | H3 | H3A | 118.9° | 120.0° |
C2 | C3 | C4 | H4 | 46.0° | 55.0° |
C2 | C3 | C4 | C5 | 72.7° | 175.0° |
C2 | C3 | C4 | O10 | 165.8° | 65.0° |
C4 | C3 | H3 | H3A | 118.9° | 120.0° |
C3 | C4 | H4 | C5 | 120.9° | 120.0° |
C3 | C4 | H4 | O10 | 119.9° | 120.1° |
C3 | C4 | C5 | O10 | 122.2° | 120.1° |
C3 | C4 | C5 | H5A | 75.6° | 55.0° |
C3 | C4 | C5 | C6 | 164.4° | 175.0° |
C3 | C4 | C5 | H5 | 46.7° | 65.1° |
C3 | C4 | O10 | HO10 | 146.3° | 59.9° |
H3 | C3 | C4 | H4 | 74.0° | 175.0° |
H3 | C3 | C4 | C5 | 167.3° | 65.0° |
H3 | C3 | C4 | O10 | 45.8° | 55.0° |
H3A | C3 | C4 | H4 | 164.8° | 65.0° |
H3A | C3 | C4 | C5 | 46.1° | 55.0° |
H3A | C3 | C4 | O10 | 75.4° | 175.0° |
H4 | C4 | C5 | O10 | 119.8° | 120.0° |
H4 | C4 | C5 | H5A | 166.4° | 65.0° |
H4 | C4 | C5 | C6 | 46.5° | 55.0° |
H4 | C4 | C5 | H5 | 71.2° | 175.0° |
H4 | C4 | O10 | HO10 | 28.3° | 180.0° |
C4 | C5 | H5A | C6 | 124.3° | 120.0° |
C4 | C5 | H5A | H5 | 117.8° | 120.0° |
C4 | C5 | C6 | H5 | 117.6° | 119.9° |
C4 | C5 | C6 | C7 | 64.8° | 180.0° |
C4 | C5 | C6 | H6 | 55.2° | 60.0° |
C4 | C5 | C6 | H6A | 177.0° | 60.0° |
C5 | C4 | O10 | HO10 | 90.5° | 60.1° |
O10 | C4 | C5 | H5A | 46.6° | 175.0° |
O10 | C4 | C5 | C6 | 73.4° | 65.0° |
O10 | C4 | C5 | H5 | 169.0° | 55.0° |
H5A | C5 | C6 | H5 | 122.4° | 120.1° |
H5A | C5 | C6 | C7 | 175.2° | 60.1° |
H5A | C5 | C6 | H6 | 64.8° | 60.0° |
H5A | C5 | C6 | H6A | 57.0° | 180.0° |
C5 | C6 | C7 | H6 | 120.0° | 120.0° |
C5 | C6 | C7 | H6A | 118.2° | 120.0° |
C5 | C6 | H6 | H6A | 118.4° | 120.0° |
C5 | C6 | C7 | H7 | 129.6° | 60.0° |
C5 | C6 | C7 | H7A | 8.6° | 60.0° |
C5 | C6 | C7 | C8 | 110.3° | 180.0° |
H5 | C5 | C6 | C7 | 52.9° | 60.0° |
H5 | C5 | C6 | H6 | 172.9° | 180.0° |
H5 | C5 | C6 | H6A | 65.4° | 59.9° |
C7 | C6 | H6 | H6A | 118.3° | 120.0° |
C6 | C7 | H7 | H7A | 119.0° | 120.0° |
C6 | C7 | H7 | C8 | 122.0° | 120.0° |
C6 | C7 | H7A | C8 | 121.3° | 120.0° |
C6 | C7 | C8 | C9 | 177.2° | 180.0° |
C6 | C7 | C8 | H8 | 57.2° | 60.0° |
C6 | C7 | C8 | H8A | 63.4° | 60.0° |
H6 | C6 | C7 | H7 | 110.3° | 180.0° |
H6 | C6 | C7 | H7A | 128.6° | 60.0° |
H6 | C6 | C7 | C8 | 9.7° | 60.0° |
H6A | C6 | C7 | H7 | 11.4° | 60.0° |
H6A | C6 | C7 | H7A | 109.6° | 180.0° |
H6A | C6 | C7 | C8 | 131.4° | 60.0° |
H7 | C7 | H7A | C8 | 119.3° | 120.0° |
H7 | C7 | C8 | C9 | 62.7° | 60.0° |
H7 | C7 | C8 | H8 | 177.2° | 180.0° |
H7 | C7 | C8 | H8A | 56.6° | 60.0° |
H7A | C7 | C8 | C9 | 58.3° | 60.0° |
H7A | C7 | C8 | H8 | 61.8° | 60.0° |
H7A | C7 | C8 | H8A | 177.6° | 180.0° |
C7 | C8 | C9 | H8 | 120.0° | 120.0° |
C7 | C8 | C9 | H8A | 119.3° | 120.0° |
C7 | C8 | H8 | H8A | 119.3° | 120.0° |
C7 | C8 | C9 | H9 | 121.4° | 60.0° |
C7 | C8 | C9 | H9A | 118.6° | 60.0° |
C7 | C8 | C9 | H9B | 1.4° | 180.0° |
C9 | C8 | H8 | H8A | 119.4° | 120.0° |
C8 | C9 | H9 | H9A | 120.0° | 120.0° |
C8 | C9 | H9 | H9B | 120.0° | 120.1° |
C8 | C9 | H9A | H9B | 120.0° | 120.1° |
H8 | C8 | C9 | H9 | 1.4° | 180.0° |
H8 | C8 | C9 | H9A | 121.4° | 60.1° |
H8 | C8 | C9 | H9B | 118.6° | 60.0° |
H8A | C8 | C9 | H9 | 119.3° | 60.0° |
H8A | C8 | C9 | H9A | 0.7° | 179.9° |
H8A | C8 | C9 | H9B | 120.7° | 60.0° |
H9 | C9 | H9A | H9B | 120.0° | 119.9° |