BHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | O2A | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C1B | sing | 1.43Å | 1.45Å | |
| O1 | C1A | sing | 1.43Å | 1.41Å | |
| C2 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| O6 | C6A | sing | 1.43Å | 1.44Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C6B | C5B | sing | 1.53Å | 1.54Å | |
| C6B | H6BA | sing | 1.09Å | 1.10Å | |
| C6B | C19 | sing | 1.53Å | 1.54Å | |
| C6B | H6BB | sing | 1.09Å | 1.10Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| C4B | C3B | sing | 1.53Å | 1.54Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C4B | H4BA | sing | 1.09Å | 1.10Å | |
| C3B | C2B | sing | 1.53Å | 1.54Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| C3B | H3BA | sing | 1.09Å | 1.10Å | |
| C2B | C1B | sing | 1.53Å | 1.54Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C2B | H2BA | sing | 1.09Å | 1.10Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C1B | H1BA | sing | 1.09Å | 1.10Å | |
| C1A | O5A | sing | 1.43Å | 1.44Å | |
| C1A | C2A | sing | 1.53Å | 1.53Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| O5A | C5A | sing | 1.43Å | 1.42Å | |
| C5A | C6A | sing | 1.53Å | 1.52Å | |
| C5A | C4A | sing | 1.53Å | 1.54Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C6A | H6AA | sing | 1.09Å | 1.10Å | |
| C6A | H6AB | sing | 1.09Å | 1.10Å | |
| C4A | O4A | sing | 1.43Å | 1.46Å | |
| C4A | C3A | sing | 1.53Å | 1.54Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| O4A | HO4A | sing | 0.97Å | 0.95Å | |
| C3A | O3A | sing | 1.43Å | 1.43Å | |
| C3A | C2A | sing | 1.53Å | 1.54Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| C2A | O2A | sing | 1.43Å | 1.44Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 110.1° | 109.4° |
| C2 | C1 | O2A | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C1 | C2 | O2 | 109.7° | 109.5° |
| C1 | C2 | C3 | 108.0° | 109.2° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| O5 | C1 | O2A | 112.1° | 109.5° |
| O5 | C1 | H1 | 107.2° | 109.5° |
| C1 | O5 | C5 | 116.1° | 114.1° |
| O2A | C1 | H1 | 107.9° | 109.5° |
| C1 | O2A | C2A | 112.1° | 114.0° |
| C1B | O1 | C1A | 109.5° | 114.0° |
| O1 | C1B | C2B | 109.5° | 109.4° |
| O1 | C1B | H1B | 109.4° | 109.5° |
| O1 | C1B | H1BA | 109.4° | 109.4° |
| O1 | C1A | O5A | 109.4° | 109.5° |
| O1 | C1A | C2A | 108.9° | 109.5° |
| O1 | C1A | H1A | 110.5° | 109.5° |
| O2 | C2 | C3 | 109.1° | 109.5° |
| O2 | C2 | H2 | 109.1° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 110.8° | 109.6° |
| C2 | C3 | O3 | 110.7° | 109.6° |
| C2 | C3 | C4 | 110.5° | 109.1° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| O3 | C3 | C4 | 109.2° | 109.5° |
| O3 | C3 | H3 | 109.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 109.4° | 109.6° |
| C3 | C4 | O4 | 109.8° | 109.5° |
| C3 | C4 | C5 | 109.8° | 109.2° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| O4 | C4 | C5 | 110.2° | 109.5° |
| O4 | C4 | H4 | 108.9° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 108.9° | 109.6° |
| C4 | C5 | O5 | 109.1° | 109.4° |
| C4 | C5 | C6 | 111.7° | 109.5° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| O5 | C5 | C6 | 109.1° | 109.5° |
| O5 | C5 | H5 | 110.7° | 109.4° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| C5 | C6 | H6B | 109.5° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.4° |
| C6A | O6 | HO6 | 109.5° | 114.0° |
| O6 | C6A | C5A | 107.9° | 109.5° |
| O6 | C6A | H6AA | 110.0° | 109.5° |
| O6 | C6A | H6AB | 110.4° | 109.5° |
| C5B | C6B | H6BA | 109.5° | 109.5° |
| C5B | C6B | C19 | 109.4° | 109.5° |
| C5B | C6B | H6BB | 109.5° | 109.5° |
| C6B | C5B | C4B | 109.7° | 109.5° |
| C6B | C5B | H5B | 109.4° | 109.5° |
| C6B | C5B | H5BA | 109.3° | 109.4° |
| H6BA | C6B | C19 | 109.5° | 109.5° |
| H6BA | C6B | H6BB | 109.5° | 109.4° |
| C19 | C6B | H6BB | 109.5° | 109.5° |
| C6B | C19 | H34 | 109.5° | 109.5° |
| C6B | C19 | H35 | 109.4° | 109.5° |
| C6B | C19 | C20 | 109.5° | 109.5° |
| C4B | C5B | H5B | 109.4° | 109.5° |
| C4B | C5B | H5BA | 109.3° | 109.4° |
| C5B | C4B | C3B | 110.2° | 109.5° |
| C5B | C4B | H4B | 109.2° | 109.5° |
| C5B | C4B | H4BA | 109.1° | 109.4° |
| H5B | C5B | H5BA | 109.7° | 109.5° |
| C3B | C4B | H4B | 109.2° | 109.5° |
| C3B | C4B | H4BA | 109.0° | 109.5° |
| C4B | C3B | C2B | 110.5° | 109.5° |
| C4B | C3B | H3B | 109.1° | 109.5° |
| C4B | C3B | H3BA | 108.9° | 109.5° |
| H4B | C4B | H4BA | 110.1° | 109.5° |
| C2B | C3B | H3B | 109.1° | 109.5° |
| C2B | C3B | H3BA | 108.9° | 109.5° |
| C3B | C2B | C1B | 111.3° | 109.4° |
| C3B | C2B | H2B | 108.9° | 109.5° |
| C3B | C2B | H2BA | 108.4° | 109.5° |
| H3B | C3B | H3BA | 110.2° | 109.4° |
| C1B | C2B | H2B | 108.9° | 109.5° |
| C1B | C2B | H2BA | 108.5° | 109.5° |
| C2B | C1B | H1B | 109.5° | 109.5° |
| C2B | C1B | H1BA | 109.5° | 109.5° |
| H2B | C2B | H2BA | 110.9° | 109.4° |
| H1B | C1B | H1BA | 109.5° | 109.5° |
| O5A | C1A | C2A | 111.4° | 109.4° |
| O5A | C1A | H1A | 108.1° | 109.5° |
| C1A | O5A | C5A | 111.9° | 114.1° |
| C2A | C1A | H1A | 108.5° | 109.5° |
| C1A | C2A | C3A | 110.7° | 109.1° |
| C1A | C2A | O2A | 107.8° | 109.5° |
| C1A | C2A | H2A | 110.3° | 109.5° |
| O5A | C5A | C6A | 108.3° | 109.5° |
| O5A | C5A | C4A | 110.5° | 109.4° |
| O5A | C5A | H5A | 110.2° | 109.4° |
| C6A | C5A | C4A | 111.3° | 109.5° |
| C6A | C5A | H5A | 109.3° | 109.5° |
| C5A | C6A | H6AA | 110.0° | 109.4° |
| C5A | C6A | H6AB | 110.3° | 109.5° |
| C4A | C5A | H5A | 107.2° | 109.5° |
| C5A | C4A | O4A | 112.1° | 109.5° |
| C5A | C4A | C3A | 107.5° | 109.1° |
| C5A | C4A | H4A | 108.9° | 109.5° |
| H6AA | C6A | H6AB | 108.3° | 109.5° |
| O4A | C4A | C3A | 108.8° | 109.5° |
| O4A | C4A | H4A | 107.5° | 109.5° |
| C4A | O4A | HO4A | 109.5° | 114.0° |
| C3A | C4A | H4A | 112.1° | 109.6° |
| C4A | C3A | O3A | 109.8° | 109.5° |
| C4A | C3A | C2A | 110.4° | 109.0° |
| C4A | C3A | H3A | 108.7° | 109.6° |
| O3A | C3A | C2A | 109.8° | 109.5° |
| O3A | C3A | H3A | 109.3° | 109.6° |
| C3A | O3A | HO3A | 109.5° | 114.0° |
| C2A | C3A | H3A | 108.7° | 109.6° |
| C3A | C2A | O2A | 111.2° | 109.5° |
| C3A | C2A | H2A | 106.9° | 109.5° |
| O2A | C2A | H2A | 109.9° | 109.6° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| H34 | C19 | C20 | 109.5° | 109.5° |
| H35 | C19 | C20 | 109.5° | 109.4° |
| C19 | C20 | H36 | 109.5° | 109.5° |
| C19 | C20 | H37 | 109.5° | 109.4° |
| C19 | C20 | H38 | 109.4° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H36 | C20 | H38 | 109.4° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O2A | 122.2° | 120.0° |
| C2 | C1 | O5 | H1 | 119.6° | 120.0° |
| C2 | C1 | O2A | H1 | 119.6° | 120.1° |
| C1 | C2 | O2 | C3 | 118.1° | 119.7° |
| C1 | C2 | O2 | H2 | 120.7° | 120.1° |
| C1 | C2 | C3 | H2 | 120.7° | 119.9° |
| C1 | C2 | O2 | HO2 | 109.0° | 60.0° |
| C1 | C2 | C3 | O3 | 179.1° | 176.8° |
| C1 | C2 | C3 | C4 | 58.0° | 57.0° |
| C1 | C2 | C3 | H3 | 61.5° | 63.0° |
| C2 | C1 | O5 | C5 | 58.9° | 61.1° |
| C2 | C1 | O2A | C2A | 175.6° | 167.9° |
| O5 | C1 | O2A | H1 | 117.9° | 120.0° |
| O5 | C1 | C2 | O2 | 175.6° | 177.5° |
| O5 | C1 | C2 | C3 | 56.8° | 57.6° |
| O5 | C1 | C2 | H2 | 64.3° | 62.4° |
| C1 | O5 | C5 | C4 | 57.1° | 61.2° |
| C1 | O5 | C5 | C6 | 179.4° | 178.8° |
| C1 | O5 | C5 | H5 | 61.8° | 58.8° |
| O5 | C1 | O2A | C2A | 61.9° | 72.2° |
| O2A | C1 | C2 | O2 | 51.9° | 57.6° |
| O2A | C1 | C2 | C3 | 66.9° | 62.4° |
| O2A | C1 | C2 | H2 | 172.0° | 177.7° |
| O2A | C1 | O5 | C5 | 63.3° | 58.8° |
| C1 | O2A | C2A | C1A | 140.6° | 146.7° |
| C1 | O2A | C2A | C3A | 97.9° | 93.6° |
| C1 | O2A | C2A | H2A | 20.3° | 26.6° |
| H1 | C1 | C2 | O2 | 66.5° | 62.5° |
| H1 | C1 | C2 | C3 | 174.7° | 177.6° |
| H1 | C1 | C2 | H2 | 53.6° | 57.6° |
| H1 | C1 | O5 | C5 | 178.5° | 178.9° |
| H1 | C1 | O2A | C2A | 55.9° | 47.9° |
| O1 | C1B | C2B | C3B | 59.5° | 175.2° |
| O1 | C1B | C2B | H1B | 120.0° | 120.0° |
| O1 | C1B | C2B | H1BA | 120.0° | 119.9° |
| O1 | C1B | C2B | H2B | 60.5° | 64.8° |
| O1 | C1B | C2B | H2BA | 178.7° | 55.2° |
| O1 | C1B | H1B | H1BA | 120.0° | 120.0° |
| C1B | O1 | C1A | O5A | 70.3° | 71.1° |
| C1B | O1 | C1A | C2A | 167.7° | 169.0° |
| C1B | O1 | C1A | H1A | 48.6° | 49.0° |
| C1A | O1 | C1B | C2B | 122.8° | 175.0° |
| C1A | O1 | C1B | H1B | 2.8° | 55.0° |
| C1A | O1 | C1B | H1BA | 117.2° | 65.0° |
| O1 | C1A | O5A | C2A | 120.5° | 119.9° |
| O1 | C1A | O5A | H1A | 120.4° | 120.1° |
| O1 | C1A | C2A | H1A | 120.4° | 120.0° |
| O1 | C1A | O5A | C5A | 179.5° | 178.9° |
| O1 | C1A | C2A | C3A | 173.9° | 177.6° |
| O1 | C1A | C2A | O2A | 64.3° | 62.5° |
| O1 | C1A | C2A | H2A | 55.7° | 57.7° |
| O2 | C2 | C3 | H2 | 120.1° | 120.2° |
| O2 | C2 | C3 | O3 | 61.7° | 63.3° |
| O2 | C2 | C3 | C4 | 177.1° | 176.9° |
| O2 | C2 | C3 | H3 | 57.7° | 56.9° |
| C3 | C2 | O2 | HO2 | 9.1° | 179.7° |
| C2 | C3 | O3 | C4 | 121.9° | 119.6° |
| C2 | C3 | O3 | H3 | 118.6° | 120.2° |
| C2 | C3 | C4 | H3 | 118.6° | 119.9° |
| C2 | C3 | O3 | HO3 | 88.7° | 60.0° |
| C2 | C3 | C4 | O4 | 63.6° | 62.9° |
| C2 | C3 | C4 | C5 | 57.7° | 57.0° |
| C2 | C3 | C4 | H4 | 177.1° | 177.0° |
| H2 | C2 | O2 | HO2 | 130.2° | 60.1° |
| H2 | C2 | C3 | O3 | 58.3° | 56.9° |
| H2 | C2 | C3 | C4 | 62.8° | 62.9° |
| H2 | C2 | C3 | H3 | 177.7° | 177.1° |
| O3 | C3 | C4 | H3 | 119.4° | 120.2° |
| O3 | C3 | C4 | O4 | 58.4° | 56.9° |
| O3 | C3 | C4 | C5 | 179.7° | 176.9° |
| O3 | C3 | C4 | H4 | 60.9° | 63.1° |
| C4 | C3 | O3 | HO3 | 149.5° | 179.6° |
| C3 | C4 | O4 | C5 | 121.1° | 119.7° |
| C3 | C4 | O4 | H4 | 119.6° | 120.1° |
| C3 | C4 | C5 | H4 | 119.6° | 119.9° |
| C3 | C4 | O4 | HO4 | 36.6° | 180.0° |
| C3 | C4 | C5 | O5 | 54.2° | 57.6° |
| C3 | C4 | C5 | C6 | 175.0° | 177.6° |
| C3 | C4 | C5 | H5 | 66.2° | 62.3° |
| H3 | C3 | O3 | HO3 | 29.9° | 60.1° |
| H3 | C3 | C4 | O4 | 177.8° | 177.2° |
| H3 | C3 | C4 | C5 | 60.9° | 62.9° |
| H3 | C3 | C4 | H4 | 58.5° | 57.1° |
| O4 | C4 | C5 | H4 | 119.3° | 120.1° |
| O4 | C4 | C5 | O5 | 66.8° | 62.3° |
| O4 | C4 | C5 | C6 | 53.9° | 57.7° |
| O4 | C4 | C5 | H5 | 172.7° | 177.8° |
| C5 | C4 | O4 | HO4 | 157.6° | 60.3° |
| C4 | C5 | O5 | C6 | 122.3° | 120.0° |
| C4 | C5 | O5 | H5 | 118.9° | 120.0° |
| C4 | C5 | C6 | H5 | 118.8° | 120.1° |
| C4 | C5 | C6 | H6 | 110.6° | 54.2° |
| C4 | C5 | C6 | H6A | 9.4° | 174.3° |
| C4 | C5 | C6 | H6B | 129.4° | 65.8° |
| H4 | C4 | O4 | HO4 | 83.0° | 59.8° |
| H4 | C4 | C5 | O5 | 173.8° | 177.6° |
| H4 | C4 | C5 | C6 | 65.4° | 62.5° |
| H4 | C4 | C5 | H5 | 53.4° | 57.6° |
| O5 | C5 | C6 | H5 | 120.5° | 120.0° |
| O5 | C5 | C6 | H6 | 10.1° | 174.1° |
| O5 | C5 | C6 | H6A | 130.1° | 65.8° |
| O5 | C5 | C6 | H6B | 109.9° | 54.2° |
| C5 | C6 | H6 | H6A | 120.0° | 120.1° |
| C5 | C6 | H6 | H6B | 120.0° | 119.9° |
| C5 | C6 | H6A | H6B | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 130.5° | 65.9° |
| H5 | C5 | C6 | H6A | 109.4° | 54.2° |
| H5 | C5 | C6 | H6B | 10.6° | 174.1° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| O6 | C6A | C5A | O5A | 66.3° | 65.0° |
| O6 | C6A | C5A | H6AA | 120.0° | 120.0° |
| O6 | C6A | C5A | H6AB | 120.6° | 120.0° |
| O6 | C6A | C5A | C4A | 172.1° | 175.1° |
| O6 | C6A | C5A | H5A | 53.9° | 55.0° |
| O6 | C6A | H6AA | H6AB | 120.7° | 120.0° |
| HO6 | O6 | C6A | C5A | 99.9° | 180.0° |
| HO6 | O6 | C6A | H6AA | 20.1° | 60.0° |
| HO6 | O6 | C6A | H6AB | 139.5° | 60.0° |
| C5B | C6B | H6BA | C19 | 120.0° | 120.0° |
| C5B | C6B | H6BA | H6BB | 120.0° | 120.0° |
| C5B | C6B | C19 | H6BB | 120.0° | 120.0° |
| C6B | C5B | C4B | H5B | 120.0° | 120.1° |
| C6B | C5B | C4B | H5BA | 119.9° | 119.9° |
| C6B | C5B | H5B | H5BA | 119.9° | 120.0° |
| C6B | C5B | C4B | C3B | 141.0° | 180.0° |
| C6B | C5B | C4B | H4B | 21.0° | 59.9° |
| C6B | C5B | C4B | H4BA | 99.3° | 60.1° |
| C5B | C6B | C19 | H34 | 103.6° | 60.1° |
| C5B | C6B | C19 | H35 | 16.4° | 60.0° |
| C5B | C6B | C19 | C20 | 136.4° | 180.0° |
| H6BA | C6B | C19 | H6BB | 120.0° | 120.0° |
| H6BA | C6B | C5B | C4B | 57.4° | 59.9° |
| H6BA | C6B | C5B | H5B | 62.6° | 180.0° |
| H6BA | C6B | C5B | H5BA | 177.3° | 60.0° |
| H6BA | C6B | C19 | H34 | 136.4° | 60.0° |
| H6BA | C6B | C19 | H35 | 103.5° | 180.0° |
| H6BA | C6B | C19 | C20 | 16.5° | 60.0° |
| C19 | C6B | C5B | C4B | 177.4° | 179.9° |
| C19 | C6B | C5B | H5B | 57.4° | 60.0° |
| C19 | C6B | C5B | H5BA | 62.7° | 60.0° |
| C6B | C19 | H34 | H35 | 120.0° | 120.1° |
| C6B | C19 | H34 | C20 | 120.0° | 120.0° |
| C6B | C19 | H35 | C20 | 120.0° | 120.0° |
| C6B | C19 | C20 | H36 | 52.1° | 60.0° |
| C6B | C19 | C20 | H37 | 172.1° | 60.0° |
| C6B | C19 | C20 | H38 | 67.9° | 180.0° |
| H6BB | C6B | C5B | C4B | 62.6° | 60.0° |
| H6BB | C6B | C5B | H5B | 177.4° | 60.0° |
| H6BB | C6B | C5B | H5BA | 57.3° | 180.0° |
| H6BB | C6B | C19 | H34 | 16.4° | 179.9° |
| H6BB | C6B | C19 | H35 | 136.5° | 60.0° |
| H6BB | C6B | C19 | C20 | 103.5° | 60.0° |
| C4B | C5B | H5B | H5BA | 119.9° | 120.0° |
| C5B | C4B | C3B | H4B | 120.0° | 120.0° |
| C5B | C4B | C3B | H4BA | 119.7° | 119.9° |
| C5B | C4B | H4B | H4BA | 119.7° | 119.9° |
| C5B | C4B | C3B | C2B | 155.6° | 179.9° |
| C5B | C4B | C3B | H3B | 84.4° | 59.9° |
| C5B | C4B | C3B | H3BA | 36.0° | 60.0° |
| H5B | C5B | C4B | C3B | 99.0° | 59.9° |
| H5B | C5B | C4B | H4B | 141.0° | NaN° |
| H5B | C5B | C4B | H4BA | 20.7° | 60.0° |
| H5BA | C5B | C4B | C3B | 21.1° | 60.1° |
| H5BA | C5B | C4B | H4B | 98.9° | 60.0° |
| H5BA | C5B | C4B | H4BA | 140.8° | 180.0° |
| C3B | C4B | H4B | H4BA | 119.7° | 120.0° |
| C4B | C3B | C2B | H3B | 120.0° | 120.0° |
| C4B | C3B | C2B | H3BA | 119.6° | 120.0° |
| C4B | C3B | H3B | H3BA | 119.6° | 120.0° |
| C4B | C3B | C2B | C1B | 157.5° | 180.0° |
| C4B | C3B | C2B | H2B | 82.5° | 60.0° |
| C4B | C3B | C2B | H2BA | 38.2° | 60.0° |
| H4B | C4B | C3B | C2B | 35.6° | 60.0° |
| H4B | C4B | C3B | H3B | 155.6° | 180.0° |
| H4B | C4B | C3B | H3BA | 84.0° | 60.0° |
| H4BA | C4B | C3B | C2B | 84.7° | 60.1° |
| H4BA | C4B | C3B | H3B | 35.3° | 60.0° |
| H4BA | C4B | C3B | H3BA | 155.7° | 179.9° |
| C2B | C3B | H3B | H3BA | 119.6° | 120.0° |
| C3B | C2B | C1B | H2B | 120.0° | 120.0° |
| C3B | C2B | C1B | H2BA | 119.2° | 120.0° |
| C3B | C2B | H2B | H2BA | 119.2° | 120.0° |
| C3B | C2B | C1B | H1B | 60.5° | 64.8° |
| C3B | C2B | C1B | H1BA | 179.4° | 55.3° |
| H3B | C3B | C2B | C1B | 37.5° | 60.0° |
| H3B | C3B | C2B | H2B | 157.5° | 180.0° |
| H3B | C3B | C2B | H2BA | 81.8° | 60.0° |
| H3BA | C3B | C2B | C1B | 82.9° | 60.0° |
| H3BA | C3B | C2B | H2B | 37.1° | 60.0° |
| H3BA | C3B | C2B | H2BA | 157.8° | 180.0° |
| C1B | C2B | H2B | H2BA | 119.3° | 120.0° |
| C2B | C1B | H1B | H1BA | 120.0° | 120.1° |
| H2B | C2B | C1B | H1B | 179.5° | 55.2° |
| H2B | C2B | C1B | H1BA | 59.4° | 175.3° |
| H2BA | C2B | C1B | H1B | 58.7° | 175.2° |
| H2BA | C2B | C1B | H1BA | 61.3° | 64.8° |
| O5A | C1A | C2A | H1A | 118.8° | 120.0° |
| C1A | O5A | C5A | C6A | 173.4° | 178.8° |
| C1A | O5A | C5A | C4A | 64.4° | 61.2° |
| C1A | O5A | C5A | H5A | 53.8° | 58.8° |
| O5A | C1A | C2A | C3A | 53.1° | 57.6° |
| O5A | C1A | C2A | O2A | 174.9° | 177.5° |
| O5A | C1A | C2A | H2A | 65.1° | 62.3° |
| C2A | C1A | O5A | C5A | 60.0° | 61.2° |
| C1A | C2A | C3A | C4A | 51.9° | 57.0° |
| C1A | C2A | C3A | O3A | 173.2° | 176.8° |
| C1A | C2A | C3A | O2A | 119.8° | 119.9° |
| C1A | C2A | C3A | H2A | 120.2° | 119.9° |
| C1A | C2A | C3A | H3A | 67.3° | 62.9° |
| C1A | C2A | O2A | H2A | 120.3° | 120.1° |
| H1A | C1A | O5A | C5A | 59.1° | 58.8° |
| H1A | C1A | C2A | C3A | 65.7° | 62.4° |
| H1A | C1A | C2A | O2A | 56.1° | 57.5° |
| H1A | C1A | C2A | H2A | 176.1° | 177.7° |
| O5A | C5A | C6A | C4A | 121.6° | 120.0° |
| O5A | C5A | C6A | H5A | 120.1° | 120.0° |
| O5A | C5A | C4A | H5A | 120.1° | 120.0° |
| O5A | C5A | C6A | H6AA | 53.7° | 55.0° |
| O5A | C5A | C6A | H6AB | 173.1° | 175.0° |
| O5A | C5A | C4A | O4A | 58.7° | 62.3° |
| O5A | C5A | C4A | C3A | 60.8° | 57.6° |
| O5A | C5A | C4A | H4A | 177.6° | 177.6° |
| C6A | C5A | C4A | H5A | 119.5° | 120.0° |
| C5A | C6A | H6AA | H6AB | 120.7° | 120.0° |
| C6A | C5A | C4A | O4A | 61.7° | 57.7° |
| C6A | C5A | C4A | C3A | 178.8° | 177.6° |
| C6A | C5A | C4A | H4A | 57.2° | 62.4° |
| C4A | C5A | C6A | H6AA | 67.9° | 65.0° |
| C4A | C5A | C6A | H6AB | 51.5° | 55.0° |
| C5A | C4A | O4A | C3A | 118.7° | 119.7° |
| C5A | C4A | O4A | H4A | 119.6° | 120.2° |
| C5A | C4A | C3A | H4A | 119.6° | 119.9° |
| C5A | C4A | O4A | HO4A | 147.1° | 60.0° |
| C5A | C4A | C3A | O3A | 175.9° | 176.8° |
| C5A | C4A | C3A | C2A | 54.6° | 57.0° |
| C5A | C4A | C3A | H3A | 64.6° | 63.0° |
| H5A | C5A | C6A | H6AA | 173.9° | 175.0° |
| H5A | C5A | C6A | H6AB | 66.8° | 65.0° |
| H5A | C5A | C4A | O4A | 178.8° | 177.8° |
| H5A | C5A | C4A | C3A | 59.3° | 62.3° |
| H5A | C5A | C4A | H4A | 62.3° | 57.6° |
| O4A | C4A | C3A | H4A | 118.8° | 120.2° |
| O4A | C4A | C3A | O3A | 54.3° | 56.9° |
| O4A | C4A | C3A | C2A | 67.0° | 62.9° |
| O4A | C4A | C3A | H3A | 173.8° | 177.1° |
| C3A | C4A | O4A | HO4A | 94.2° | 179.6° |
| C4A | C3A | O3A | C2A | 121.6° | 119.5° |
| C4A | C3A | O3A | H3A | 119.2° | 120.2° |
| C4A | C3A | C2A | H3A | 119.2° | 120.0° |
| C4A | C3A | O3A | HO3A | 102.0° | 60.1° |
| C4A | C3A | C2A | O2A | 171.7° | 176.9° |
| C4A | C3A | C2A | H2A | 68.3° | 62.9° |
| H4A | C4A | O4A | HO4A | 27.5° | 60.2° |
| H4A | C4A | C3A | O3A | 64.5° | 63.3° |
| H4A | C4A | C3A | C2A | 174.2° | 176.9° |
| H4A | C4A | C3A | H3A | 55.0° | 56.9° |
| O3A | C3A | C2A | H3A | 119.5° | 120.2° |
| O3A | C3A | C2A | O2A | 67.0° | 63.3° |
| O3A | C3A | C2A | H2A | 52.9° | 56.9° |
| C2A | C3A | O3A | HO3A | 136.4° | 179.6° |
| C3A | C2A | O2A | H2A | 118.2° | 120.2° |
| H3A | C3A | O3A | HO3A | 17.2° | 60.1° |
| H3A | C3A | C2A | O2A | 52.5° | 57.0° |
| H3A | C3A | C2A | H2A | 172.5° | 177.2° |
| H34 | C19 | H35 | C20 | 120.0° | 120.0° |
| H34 | C19 | C20 | H36 | 67.9° | 180.0° |
| H34 | C19 | C20 | H37 | 52.1° | 60.0° |
| H34 | C19 | C20 | H38 | 172.2° | 60.0° |
| H35 | C19 | C20 | H36 | 172.0° | 60.0° |
| H35 | C19 | C20 | H37 | 67.9° | NaN° |
| H35 | C19 | C20 | H38 | 52.1° | 60.0° |
| C19 | C20 | H36 | H37 | 120.0° | 120.0° |
| C19 | C20 | H36 | H38 | 119.9° | 119.9° |
| C19 | C20 | H37 | H38 | 120.0° | 120.0° |
| H36 | C20 | H37 | H38 | 120.0° | 120.1° |
