EBQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | O17 | sing | 1.43Å | 1.41Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| O17 | H1A | sing | 0.97Å | 0.95Å | |
| C9 | H2A | sing | 1.09Å | 1.10Å | |
| C16 | H3A | sing | 1.09Å | 1.10Å | |
| C16 | H4A | sing | 1.09Å | 1.10Å | |
| C8 | H5A | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C9 | C8 | 118.7° | 109.5° |
| C16 | C9 | O17 | 107.4° | 109.5° |
| C16 | C9 | H2A | 107.4° | 109.4° |
| C9 | C16 | H3A | 109.5° | 109.4° |
| C9 | C16 | H4A | 109.4° | 109.5° |
| C9 | C16 | H20 | 109.5° | 109.5° |
| C9 | C8 | C7 | 104.7° | 109.5° |
| C8 | C9 | O17 | 106.7° | 109.5° |
| C8 | C9 | H2A | 107.5° | 109.5° |
| C9 | C8 | H5A | 110.6° | 109.5° |
| C9 | C8 | H6 | 110.6° | 109.5° |
| C8 | C7 | O1 | 102.9° | 109.4° |
| C7 | C8 | H5A | 110.7° | 109.5° |
| C7 | C8 | H6 | 110.7° | 109.4° |
| C8 | C7 | H7 | 111.1° | 109.5° |
| C8 | C7 | H8 | 111.1° | 109.4° |
| C9 | O17 | H1A | 109.5° | 114.0° |
| O17 | C9 | H2A | 108.9° | 109.5° |
| C7 | O1 | C1 | 111.7° | 114.0° |
| O1 | C7 | H7 | 111.1° | 109.5° |
| O1 | C7 | H8 | 111.1° | 109.4° |
| O1 | C1 | C2 | 106.6° | 109.5° |
| O1 | C1 | O5 | 108.4° | 109.5° |
| O1 | C1 | H1 | 110.1° | 109.5° |
| O2 | C2 | C1 | 105.9° | 109.5° |
| O2 | C2 | C3 | 109.8° | 109.5° |
| O2 | C2 | H2 | 110.7° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O5 | 113.1° | 109.4° |
| C1 | C2 | C3 | 111.7° | 109.2° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | O5 | C5 | 114.7° | 114.1° |
| O5 | C1 | H1 | 109.9° | 109.5° |
| C2 | C3 | O3 | 110.7° | 109.6° |
| C2 | C3 | C4 | 110.4° | 109.0° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| O3 | C3 | C4 | 110.1° | 109.6° |
| O3 | C3 | H3 | 109.3° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 108.4° | 109.2° |
| C3 | C4 | O4 | 107.9° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.6° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| O5 | C5 | C4 | 110.8° | 109.4° |
| O5 | C5 | C6 | 107.2° | 109.5° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C4 | C5 | C6 | 113.6° | 109.5° |
| C5 | C4 | O4 | 112.1° | 109.5° |
| C5 | C4 | H4 | 108.9° | 109.6° |
| C4 | C5 | H5 | 107.9° | 109.4° |
| C5 | C6 | O6 | 109.8° | 109.4° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| O4 | C4 | H4 | 110.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H3A | C16 | H4A | 109.5° | 109.5° |
| H3A | C16 | H20 | 109.5° | 109.4° |
| H4A | C16 | H20 | 109.5° | 109.5° |
| H5A | C8 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C9 | C8 | O17 | 121.3° | 120.0° |
| C16 | C9 | C8 | H2A | 121.9° | 120.0° |
| C16 | C9 | C8 | C7 | 179.5° | 175.0° |
| C16 | C9 | O17 | H2A | 116.0° | 120.0° |
| C16 | C9 | O17 | H1A | 180.0° | 60.0° |
| C9 | C16 | H3A | H4A | 120.0° | 120.1° |
| C9 | C16 | H3A | H20 | 120.0° | 119.9° |
| C9 | C16 | H4A | H20 | 120.0° | 120.0° |
| C16 | C9 | C8 | H5A | 61.2° | 55.0° |
| C16 | C9 | C8 | H6 | 60.3° | 65.1° |
| C9 | C8 | C7 | H5A | 119.2° | 120.1° |
| C9 | C8 | C7 | H6 | 119.2° | 119.9° |
| C8 | C9 | O17 | H2A | 115.8° | 120.0° |
| C9 | C8 | C7 | O1 | 42.2° | 180.0° |
| C8 | C9 | O17 | H1A | 51.8° | 60.0° |
| C8 | C9 | C16 | H3A | 180.0° | 60.1° |
| C8 | C9 | C16 | H4A | 60.0° | 60.0° |
| C9 | C8 | H5A | H6 | 122.2° | 120.0° |
| C9 | C8 | C7 | H7 | 161.2° | 59.9° |
| C9 | C8 | C7 | H8 | 76.7° | 60.1° |
| C8 | C9 | C16 | H20 | 60.0° | 180.0° |
| C7 | C8 | C9 | O17 | 58.2° | 65.0° |
| C8 | C7 | O1 | H7 | 119.0° | 120.1° |
| C8 | C7 | O1 | H8 | 118.9° | 119.9° |
| C8 | C7 | O1 | C1 | 162.3° | 180.0° |
| C7 | C8 | C9 | H2A | 58.6° | 55.0° |
| C7 | C8 | H5A | H6 | 122.2° | 120.0° |
| C8 | C7 | H7 | H8 | 123.0° | 120.0° |
| O17 | C9 | C16 | H3A | 59.0° | 59.9° |
| O17 | C9 | C16 | H4A | 61.0° | 180.0° |
| O17 | C9 | C8 | H5A | 177.4° | 175.0° |
| O17 | C9 | C8 | H6 | 61.1° | 55.0° |
| O17 | C9 | C16 | H20 | 179.0° | 60.0° |
| C7 | O1 | C1 | C2 | 144.7° | 169.9° |
| C7 | O1 | C1 | O5 | 93.3° | 70.1° |
| O1 | C7 | C8 | H5A | 77.0° | 59.9° |
| O1 | C7 | C8 | H6 | 161.5° | 60.1° |
| O1 | C7 | H7 | H8 | 123.1° | 120.0° |
| C7 | O1 | C1 | H1 | 27.0° | 49.9° |
| O1 | C1 | C2 | O2 | 49.6° | 57.5° |
| O1 | C1 | C2 | O5 | 119.1° | 120.0° |
| O1 | C1 | C2 | H1 | 118.6° | 120.0° |
| O1 | C1 | O5 | H1 | 120.4° | 120.0° |
| O1 | C1 | C2 | C3 | 70.0° | 62.3° |
| O1 | C1 | O5 | C5 | 65.3° | 58.8° |
| C1 | O1 | C7 | H7 | 43.3° | 60.0° |
| C1 | O1 | C7 | H8 | 78.8° | 60.0° |
| O1 | C1 | C2 | H2 | 168.9° | 177.8° |
| O2 | C2 | C1 | C3 | 119.6° | 119.9° |
| O2 | C2 | C1 | H2 | 119.4° | 120.2° |
| O2 | C2 | C1 | O5 | 168.7° | 177.5° |
| O2 | C2 | C3 | H2 | 121.6° | 120.2° |
| O2 | C2 | C3 | O3 | 68.6° | 63.2° |
| O2 | C2 | C3 | C4 | 169.2° | 176.9° |
| O2 | C2 | C1 | H1 | 69.0° | 62.5° |
| O2 | C2 | C3 | H3 | 51.1° | 57.0° |
| C2 | C1 | O5 | H1 | 121.6° | 120.0° |
| C1 | C2 | C3 | H2 | 121.2° | 119.9° |
| C1 | C2 | C3 | O3 | 174.2° | 176.8° |
| C1 | C2 | C3 | C4 | 52.0° | 56.9° |
| C2 | C1 | O5 | C5 | 52.8° | 61.2° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 66.1° | 62.9° |
| O5 | C1 | C2 | C3 | 49.1° | 57.6° |
| C1 | O5 | C5 | C4 | 57.8° | 61.1° |
| C1 | O5 | C5 | C6 | 177.8° | 178.9° |
| O5 | C1 | C2 | H2 | 72.0° | 62.3° |
| C1 | O5 | C5 | H5 | 60.9° | 58.8° |
| C2 | C3 | O3 | C4 | 122.4° | 119.6° |
| C2 | C3 | O3 | H3 | 119.0° | 120.2° |
| C2 | C3 | C4 | H3 | 118.1° | 119.9° |
| C2 | C3 | C4 | C5 | 56.1° | 56.9° |
| C2 | C3 | C4 | O4 | 177.7° | 176.9° |
| C3 | C2 | C1 | H1 | 171.4° | 177.7° |
| C3 | C2 | O2 | HO2 | 59.2° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 62.4° | 63.0° |
| O3 | C3 | C4 | H3 | 119.4° | 120.2° |
| O3 | C3 | C4 | C5 | 178.6° | 176.9° |
| O3 | C3 | C4 | O4 | 59.8° | 63.2° |
| O3 | C3 | C2 | H2 | 53.0° | 56.9° |
| O3 | C3 | C4 | H4 | 60.1° | 56.9° |
| C3 | C4 | C5 | O5 | 58.5° | 57.6° |
| C3 | C4 | C5 | O4 | 119.0° | 119.9° |
| C3 | C4 | C5 | H4 | 118.7° | 119.9° |
| C3 | C4 | C5 | C6 | 179.2° | 177.6° |
| C3 | C4 | O4 | H4 | 119.2° | 120.1° |
| C4 | C3 | C2 | H2 | 69.2° | 63.0° |
| C4 | C3 | O3 | HO3 | 57.6° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 61.0° | 62.4° |
| O5 | C5 | C4 | C6 | 120.7° | 120.0° |
| O5 | C5 | C4 | H5 | 119.5° | 120.0° |
| O5 | C5 | C6 | H5 | 117.5° | 120.1° |
| O5 | C5 | C4 | O4 | 177.5° | 177.6° |
| O5 | C5 | C6 | O6 | 57.2° | 65.0° |
| C5 | O5 | C1 | H1 | 174.4° | 178.8° |
| O5 | C5 | C4 | H4 | 60.2° | 62.3° |
| O5 | C5 | C6 | H61 | 62.9° | 174.9° |
| O5 | C5 | C6 | H62 | 177.2° | 54.9° |
| C4 | C5 | C6 | H5 | 119.7° | 120.0° |
| C5 | C4 | O4 | H4 | 121.5° | 120.2° |
| C4 | C5 | C6 | O6 | 65.6° | 175.0° |
| C5 | C4 | C3 | H3 | 62.0° | 62.9° |
| C5 | C4 | O4 | HO4 | 60.7° | 179.7° |
| C4 | C5 | C6 | H61 | 174.4° | 55.0° |
| C4 | C5 | C6 | H62 | 54.5° | 65.0° |
| C6 | C5 | C4 | O4 | 61.8° | 62.5° |
| C5 | C6 | O6 | H61 | 120.0° | 120.1° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 60.5° | 57.7° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O4 | C4 | C3 | H3 | 59.6° | 57.0° |
| O4 | C4 | C5 | H5 | 58.0° | 57.5° |
| O6 | C6 | C5 | H5 | 174.7° | 55.1° |
| O6 | C6 | H61 | H62 | 119.9° | 120.0° |
| H1A | O17 | C9 | H2A | 64.0° | 180.0° |
| H2A | C9 | C16 | H3A | 58.0° | 179.9° |
| H2A | C9 | C16 | H4A | 178.0° | 60.0° |
| H2A | C9 | C8 | H5A | 60.7° | 65.0° |
| H2A | C9 | C8 | H6 | 177.8° | 175.0° |
| H2A | C9 | C16 | H20 | 62.0° | 60.0° |
| H3A | C16 | H4A | H20 | 120.0° | 120.0° |
| H5A | C8 | C7 | H7 | 42.0° | 180.0° |
| H5A | C8 | C7 | H8 | 164.0° | 60.0° |
| H6 | C8 | C7 | H7 | 79.6° | 60.0° |
| H6 | C8 | C7 | H8 | 42.5° | 180.0° |
| H1 | C1 | C2 | H2 | 50.3° | 57.8° |
| H2 | C2 | O2 | HO2 | 61.5° | 60.2° |
| H2 | C2 | C3 | H3 | 172.7° | 177.1° |
| H3 | C3 | O3 | HO3 | 61.0° | 60.2° |
| H3 | C3 | C4 | H4 | 179.5° | 177.1° |
| H4 | C4 | O4 | HO4 | 60.8° | 60.1° |
| H4 | C4 | C5 | H5 | 179.7° | 177.7° |
| H5 | C5 | C6 | H61 | 54.7° | 65.0° |
| H5 | C5 | C6 | H62 | 65.2° | 175.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.9° | 60.0° |
