HNE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.54Å | |
| C1 | O11 | doub | 1.23Å | 1.21Å | |
| C1 | H1 | sing | 1.10Å | 1.08Å | |
| C2 | C3 | doub | 1.34Å | 1.32Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.50Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O10 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.10Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5C1 | sing | 1.10Å | 1.11Å | |
| C5 | H5C2 | sing | 1.10Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H6C1 | sing | 1.10Å | 1.11Å | |
| C6 | H6C2 | sing | 1.10Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H7C1 | sing | 1.10Å | 1.11Å | |
| C7 | H7C2 | sing | 1.10Å | 1.11Å | |
| C8 | C9 | sing | 1.52Å | 1.54Å | |
| C8 | H8C1 | sing | 1.10Å | 1.12Å | |
| C8 | H8C2 | sing | 1.10Å | 1.11Å | |
| C9 | H9C1 | sing | 1.09Å | 1.12Å | |
| C9 | H9C2 | sing | 1.09Å | 1.12Å | |
| C9 | H9C3 | sing | 1.09Å | 1.11Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O11 | 120.8° | 121.9° |
| C2 | C1 | H1 | 119.6° | 116.4° |
| C1 | C2 | C3 | 120.1° | 119.1° |
| C1 | C2 | H2 | 120.0° | 118.2° |
| O11 | C1 | H1 | 119.6° | 121.7° |
| C3 | C2 | H2 | 119.9° | 122.7° |
| C2 | C3 | C4 | 121.5° | 123.2° |
| C2 | C3 | H3 | 119.3° | 120.1° |
| C4 | C3 | H3 | 119.2° | 116.7° |
| C3 | C4 | C5 | 109.6° | 112.7° |
| C3 | C4 | O10 | 109.6° | 108.4° |
| C3 | C4 | H4 | 109.3° | 111.5° |
| C5 | C4 | O10 | 109.6° | 107.5° |
| C5 | C4 | H4 | 109.4° | 109.3° |
| C4 | C5 | C6 | 109.9° | 113.1° |
| C4 | C5 | H5C1 | 112.1° | 108.7° |
| C4 | C5 | H5C2 | 112.1° | 109.3° |
| O10 | C4 | H4 | 109.3° | 107.2° |
| C4 | O10 | H10 | 109.6° | 106.4° |
| C6 | C5 | H5C1 | 112.1° | 109.5° |
| C6 | C5 | H5C2 | 112.1° | 110.4° |
| C5 | C6 | C7 | 110.6° | 113.3° |
| C5 | C6 | H6C1 | 111.8° | 108.9° |
| C5 | C6 | H6C2 | 111.8° | 110.3° |
| H5C1 | C5 | H5C2 | 98.3° | 105.5° |
| C7 | C6 | H6C1 | 111.8° | 108.1° |
| C7 | C6 | H6C2 | 111.8° | 109.2° |
| C6 | C7 | C8 | 109.3° | 113.3° |
| C6 | C7 | H7C1 | 112.3° | 109.7° |
| C6 | C7 | H7C2 | 112.3° | 108.1° |
| H6C1 | C6 | H6C2 | 98.6° | 106.8° |
| C8 | C7 | H7C1 | 112.3° | 109.8° |
| C8 | C7 | H7C2 | 112.3° | 109.0° |
| C7 | C8 | C9 | 109.7° | 111.4° |
| C7 | C8 | H8C1 | 112.1° | 110.4° |
| C7 | C8 | H8C2 | 112.1° | 109.9° |
| H7C1 | C7 | H7C2 | 98.1° | 106.7° |
| C9 | C8 | H8C1 | 112.1° | 108.6° |
| C9 | C8 | H8C2 | 112.1° | 109.2° |
| C8 | C9 | H9C1 | 109.7° | 111.0° |
| C8 | C9 | H9C2 | 112.1° | 111.0° |
| C8 | C9 | H9C3 | 112.1° | 110.2° |
| H8C1 | C8 | H8C2 | 98.3° | 107.3° |
| H9C1 | C9 | H9C2 | 112.1° | 108.4° |
| H9C1 | C9 | H9C3 | 112.1° | 108.1° |
| H9C2 | C9 | H9C3 | 98.3° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O11 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 162.5° | 180.0° |
| C1 | C2 | C3 | H3 | 17.5° | 0.1° |
| O11 | C1 | C2 | C3 | 167.0° | 179.9° |
| O11 | C1 | C2 | H2 | 13.0° | 0.1° |
| H1 | C1 | C2 | C3 | 13.0° | 0.1° |
| H1 | C1 | C2 | H2 | 167.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 162.9° | 123.4° |
| C2 | C3 | C4 | O10 | 76.8° | 117.7° |
| C2 | C3 | C4 | H4 | 43.1° | 0.1° |
| H2 | C2 | C3 | C4 | 17.6° | 0.2° |
| H2 | C2 | C3 | H3 | 162.4° | 180.0° |
| C3 | C4 | C5 | O10 | 120.3° | 119.4° |
| C3 | C4 | C5 | H4 | 119.8° | 124.5° |
| C3 | C4 | O10 | H4 | 119.9° | 120.5° |
| C3 | C4 | C5 | C6 | 148.7° | 58.2° |
| C3 | C4 | C5 | H5C1 | 86.0° | 180.0° |
| C3 | C4 | C5 | H5C2 | 23.5° | 65.3° |
| C3 | C4 | O10 | H10 | 180.0° | 120.7° |
| H3 | C3 | C4 | C5 | 17.1° | 56.8° |
| H3 | C3 | C4 | O10 | 103.2° | 62.2° |
| H3 | C3 | C4 | H4 | 137.0° | 179.9° |
| C5 | C4 | O10 | H4 | 119.8° | 117.4° |
| C4 | C5 | C6 | H5C1 | 125.3° | 121.4° |
| C4 | C5 | C6 | H5C2 | 125.3° | 122.9° |
| C4 | C5 | H5C1 | H5C2 | 118.0° | 117.1° |
| C4 | C5 | C6 | C7 | 104.4° | 178.7° |
| C4 | C5 | C6 | H6C1 | 20.8° | 61.0° |
| C4 | C5 | C6 | H6C2 | 130.3° | 55.9° |
| C5 | C4 | O10 | H10 | 59.7° | 117.2° |
| O10 | C4 | C5 | C6 | 90.9° | 177.6° |
| O10 | C4 | C5 | H5C1 | 34.4° | 60.5° |
| O10 | C4 | C5 | H5C2 | 143.8° | 54.1° |
| H4 | C4 | C5 | C6 | 28.9° | 66.3° |
| H4 | C4 | C5 | H5C1 | 154.2° | 55.5° |
| H4 | C4 | C5 | H5C2 | 96.4° | 170.2° |
| H4 | C4 | O10 | H10 | 60.1° | 0.2° |
| C6 | C5 | H5C1 | H5C2 | 118.0° | 118.8° |
| C5 | C6 | C7 | H6C1 | 125.2° | 120.8° |
| C5 | C6 | C7 | H6C2 | 125.3° | 123.4° |
| C5 | C6 | H6C1 | H6C2 | 117.7° | 119.1° |
| C5 | C6 | C7 | C8 | 178.9° | 179.2° |
| C5 | C6 | C7 | H7C1 | 55.8° | 56.1° |
| C5 | C6 | C7 | H7C2 | 53.7° | 59.9° |
| H5C1 | C5 | C6 | C7 | 130.3° | 60.0° |
| H5C1 | C5 | C6 | H6C1 | 104.4° | 60.3° |
| H5C1 | C5 | C6 | H6C2 | 5.1° | 177.3° |
| H5C2 | C5 | C6 | C7 | 20.9° | 55.8° |
| H5C2 | C5 | C6 | H6C1 | 146.1° | 176.1° |
| H5C2 | C5 | C6 | H6C2 | 104.4° | 67.0° |
| C7 | C6 | H6C1 | H6C2 | 117.7° | 117.4° |
| C6 | C7 | C8 | H7C1 | 125.3° | 123.0° |
| C6 | C7 | C8 | H7C2 | 125.3° | 120.4° |
| C6 | C7 | H7C1 | H7C2 | 118.2° | 116.9° |
| C6 | C7 | C8 | C9 | 116.0° | 177.0° |
| C6 | C7 | C8 | H8C1 | 118.8° | 62.2° |
| C6 | C7 | C8 | H8C2 | 9.3° | 55.9° |
| H6C1 | C6 | C7 | C8 | 53.7° | 60.0° |
| H6C1 | C6 | C7 | H7C1 | 179.0° | 176.9° |
| H6C1 | C6 | C7 | H7C2 | 71.6° | 60.9° |
| H6C2 | C6 | C7 | C8 | 55.8° | 55.9° |
| H6C2 | C6 | C7 | H7C1 | 69.5° | 67.2° |
| H6C2 | C6 | C7 | H7C2 | 178.9° | 176.8° |
| C8 | C7 | H7C1 | H7C2 | 118.2° | 118.0° |
| C7 | C8 | C9 | H8C1 | 125.3° | 121.8° |
| C7 | C8 | C9 | H8C2 | 125.3° | 121.5° |
| C7 | C8 | H8C1 | H8C2 | 118.0° | 119.7° |
| C7 | C8 | C9 | H9C1 | 180.0° | 60.1° |
| C7 | C8 | C9 | H9C2 | 54.7° | 60.4° |
| C7 | C8 | C9 | H9C3 | 54.7° | 179.9° |
| H7C1 | C7 | C8 | C9 | 9.3° | 60.0° |
| H7C1 | C7 | C8 | H8C1 | 116.0° | 60.8° |
| H7C1 | C7 | C8 | H8C2 | 134.6° | 178.9° |
| H7C2 | C7 | C8 | C9 | 118.8° | 56.6° |
| H7C2 | C7 | C8 | H8C1 | 6.5° | 177.3° |
| H7C2 | C7 | C8 | H8C2 | 116.0° | 64.5° |
| C9 | C8 | H8C1 | H8C2 | 118.0° | 117.9° |
| C8 | C9 | H9C1 | H9C2 | 125.3° | 122.1° |
| C8 | C9 | H9C1 | H9C3 | 125.2° | 121.0° |
| C8 | C9 | H9C2 | H9C3 | 118.0° | 121.0° |
| H8C1 | C8 | C9 | H9C1 | 54.7° | 61.6° |
| H8C1 | C8 | C9 | H9C2 | NaN° | 177.8° |
| H8C1 | C8 | C9 | H9C3 | 70.5° | 58.1° |
| H8C2 | C8 | C9 | H9C1 | 54.7° | 178.4° |
| H8C2 | C8 | C9 | H9C2 | 70.5° | 61.1° |
| H8C2 | C8 | C9 | H9C3 | NaN° | 58.6° |
| H9C1 | C9 | H9C2 | H9C3 | 118.0° | 116.9° |
