A1EOQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C18 | doub | 1.21Å | 1.19Å | |
| C18 | O06 | sing | 1.34Å | 1.47Å | |
| C18 | C16 | sing | 1.52Å | 1.45Å | |
| O06 | C17 | sing | 1.46Å | 1.27Å | |
| C16 | C14 | sing | 1.55Å | 1.49Å | |
| C17 | C14 | sing | 1.54Å | 1.55Å | |
| C14 | O1 | sing | 1.43Å | 1.40Å | |
| O2 | C2 | sing | 1.43Å | 1.45Å | |
| O1 | C1 | sing | 1.43Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C18 | O06 | 123.2° | 126.4° |
| O08 | C18 | C16 | 130.3° | 126.4° |
| O06 | C18 | C16 | 106.5° | 107.2° |
| C18 | O06 | C17 | 111.7° | 109.6° |
| C18 | C16 | C14 | 103.1° | 103.5° |
| C18 | C16 | H162 | 111.0° | 110.6° |
| C18 | C16 | H161 | 111.1° | 110.7° |
| O06 | C17 | C14 | 105.9° | 106.4° |
| O06 | C17 | H172 | 110.3° | 110.1° |
| O06 | C17 | H171 | 110.4° | 110.2° |
| C16 | C14 | C17 | 102.3° | 103.1° |
| C16 | C14 | O1 | 116.7° | 110.7° |
| C16 | C14 | H141 | 110.1° | 110.8° |
| C14 | C16 | H162 | 111.0° | 110.6° |
| C14 | C16 | H161 | 111.0° | 110.6° |
| C17 | C14 | O1 | 106.1° | 110.7° |
| C14 | C17 | H172 | 110.3° | 110.0° |
| C14 | C17 | H171 | 110.3° | 110.1° |
| C17 | C14 | H141 | 109.4° | 110.7° |
| C14 | O1 | C1 | 105.5° | 114.0° |
| O1 | C14 | H141 | 111.5° | 110.6° |
| O2 | C2 | C1 | 112.8° | 109.6° |
| O2 | C2 | C3 | 110.6° | 109.5° |
| O2 | C2 | H2 | 107.9° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O1 | C1 | C2 | 108.1° | 109.5° |
| O1 | C1 | O5 | 116.3° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | O5 | 107.5° | 109.4° |
| C1 | C2 | C3 | 110.9° | 109.2° |
| C1 | C2 | H2 | 106.7° | 109.5° |
| C2 | C1 | H1 | 107.2° | 109.5° |
| C1 | O5 | C5 | 108.8° | 114.1° |
| O5 | C1 | H1 | 108.0° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.0° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| O3 | C3 | C4 | 108.6° | 109.6° |
| O3 | C3 | H3 | 108.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 116.7° | 109.2° |
| C3 | C4 | O4 | 106.4° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| O5 | C5 | C4 | 112.5° | 109.4° |
| O5 | C5 | C6 | 110.1° | 109.5° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C4 | C5 | C6 | 107.8° | 109.4° |
| C5 | C4 | O4 | 107.8° | 109.5° |
| C5 | C4 | H4 | 107.9° | 109.6° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | O6 | 111.6° | 109.5° |
| C5 | C6 | H61 | 108.9° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.4° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| O4 | C4 | H4 | 109.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | H61 | 108.9° | 109.4° |
| O6 | C6 | H62 | 108.9° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H172 | C17 | H171 | 109.5° | 110.0° |
| H162 | C16 | H161 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C18 | O06 | C16 | 178.5° | 180.0° |
| O08 | C18 | O06 | C17 | 178.8° | 147.2° |
| O08 | C18 | C16 | C14 | 160.3° | 149.4° |
| O08 | C18 | C16 | H162 | 80.8° | 30.9° |
| O08 | C18 | C16 | H161 | 41.3° | 92.0° |
| O06 | C18 | C16 | C14 | 18.1° | 30.6° |
| C18 | O06 | C17 | C14 | 21.7° | 21.3° |
| C18 | O06 | C17 | H172 | 141.1° | 140.5° |
| C18 | O06 | C17 | H171 | 97.7° | 98.0° |
| O06 | C18 | C16 | H162 | 100.9° | 149.2° |
| O06 | C18 | C16 | H161 | 137.0° | 87.9° |
| C16 | C18 | O06 | C17 | 2.7° | 32.9° |
| C18 | C16 | C14 | H162 | 119.0° | 118.5° |
| C18 | C16 | C14 | H161 | 119.0° | 118.6° |
| C18 | C16 | C14 | C17 | 29.1° | 16.5° |
| C18 | C16 | C14 | O1 | 86.3° | 101.9° |
| C18 | C16 | C14 | H141 | 145.3° | 135.0° |
| C18 | C16 | H162 | H161 | 123.0° | 123.0° |
| O06 | C17 | C14 | C16 | 32.2° | 1.1° |
| O06 | C17 | C14 | H172 | 119.4° | 119.2° |
| O06 | C17 | C14 | H171 | 119.4° | 119.4° |
| O06 | C17 | C14 | O1 | 90.6° | 119.5° |
| O06 | C17 | H172 | H171 | 121.7° | 121.6° |
| O06 | C17 | C14 | H141 | 149.0° | 117.5° |
| C16 | C14 | C17 | O1 | 122.9° | 118.4° |
| C16 | C14 | C17 | H141 | 116.8° | 118.6° |
| C16 | C14 | O1 | H141 | 127.8° | 123.2° |
| C16 | C14 | O1 | C1 | 64.3° | 154.9° |
| C16 | C14 | C17 | H172 | 151.7° | 120.3° |
| C16 | C14 | C17 | H171 | 87.2° | 118.2° |
| C14 | C16 | H162 | H161 | 123.0° | 122.9° |
| C17 | C14 | O1 | H141 | 119.0° | 123.1° |
| C17 | C14 | O1 | C1 | 177.5° | 91.5° |
| C14 | C17 | H172 | H171 | 121.6° | 121.5° |
| C17 | C14 | C16 | H162 | 89.9° | 135.0° |
| C17 | C14 | C16 | H161 | 148.1° | 102.2° |
| C14 | O1 | C1 | C2 | 114.5° | 175.0° |
| C14 | O1 | C1 | O5 | 124.6° | 65.1° |
| C14 | O1 | C1 | H1 | 2.0° | 55.0° |
| O1 | C14 | C17 | H172 | 28.8° | 121.3° |
| O1 | C14 | C17 | H171 | 149.9° | 0.1° |
| O1 | C14 | C16 | H162 | 154.7° | 16.6° |
| O1 | C14 | C16 | H161 | 32.7° | 139.4° |
| O2 | C2 | C1 | O1 | 43.2° | 62.5° |
| O2 | C2 | C1 | C3 | 124.7° | 120.0° |
| O2 | C2 | C1 | H2 | 118.3° | 120.1° |
| O2 | C2 | C1 | O5 | 169.4° | 177.5° |
| O2 | C2 | C3 | H2 | 117.6° | 120.1° |
| O2 | C2 | C3 | O3 | 62.5° | 63.2° |
| O2 | C2 | C3 | C4 | 176.7° | 176.9° |
| O2 | C2 | C1 | H1 | 74.8° | 57.6° |
| O2 | C2 | C3 | H3 | 56.7° | 57.0° |
| O1 | C1 | C2 | O5 | 126.2° | 120.0° |
| O1 | C1 | C2 | H1 | 118.0° | 120.0° |
| O1 | C1 | O5 | H1 | 123.5° | 120.1° |
| O1 | C1 | C2 | C3 | 167.9° | 177.6° |
| O1 | C1 | O5 | C5 | 172.3° | 178.8° |
| O1 | C1 | C2 | H2 | 75.1° | 57.7° |
| C1 | O1 | C14 | H141 | 63.5° | 31.6° |
| C2 | C1 | O5 | H1 | 115.3° | 119.9° |
| C1 | C2 | C3 | H2 | 116.4° | 119.9° |
| C1 | C2 | C3 | O3 | 171.5° | 176.9° |
| C1 | C2 | C3 | C4 | 50.7° | 56.9° |
| C2 | C1 | O5 | C5 | 66.5° | 61.2° |
| C1 | C2 | C3 | H3 | 69.3° | 63.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.2° |
| O5 | C1 | C2 | C3 | 65.9° | 57.6° |
| C1 | O5 | C5 | C4 | 54.4° | 61.2° |
| C1 | O5 | C5 | C6 | 174.6° | 178.8° |
| O5 | C1 | C2 | H2 | 51.1° | 62.3° |
| C1 | O5 | C5 | H5 | 66.0° | 58.8° |
| C2 | C3 | O3 | C4 | 122.8° | 119.6° |
| C2 | C3 | O3 | H3 | 119.2° | 120.1° |
| C2 | C3 | C4 | H3 | 120.2° | 119.8° |
| C2 | C3 | C4 | C5 | 39.0° | 56.9° |
| C2 | C3 | C4 | O4 | 159.4° | 176.9° |
| C3 | C2 | C1 | H1 | 49.9° | 62.4° |
| C2 | C3 | C4 | H4 | 83.2° | 63.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C3 | C2 | O2 | HO2 | 55.1° | 180.0° |
| O3 | C3 | C4 | H3 | 118.2° | 120.3° |
| O3 | C3 | C4 | C5 | 160.7° | 176.8° |
| O3 | C3 | C4 | O4 | 78.9° | 63.3° |
| O3 | C3 | C2 | H2 | 55.1° | 57.0° |
| O3 | C3 | C4 | H4 | 38.5° | 56.8° |
| C3 | C4 | C5 | O5 | 41.0° | 57.6° |
| C3 | C4 | C5 | O4 | 119.6° | 119.9° |
| C3 | C4 | C5 | H4 | 122.5° | 119.9° |
| C3 | C4 | C5 | C6 | 162.6° | 177.6° |
| C3 | C4 | O4 | H4 | 117.0° | 120.1° |
| C4 | C3 | C2 | H2 | 65.7° | 63.0° |
| C3 | C4 | C5 | H5 | 79.8° | 62.4° |
| C4 | C3 | O3 | HO3 | 57.2° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O5 | C5 | C4 | C6 | 121.6° | 120.0° |
| O5 | C5 | C4 | H5 | 120.8° | 120.1° |
| O5 | C5 | C6 | H5 | 119.6° | 120.1° |
| O5 | C5 | C4 | O4 | 160.6° | 177.5° |
| O5 | C5 | C6 | O6 | 54.7° | 65.1° |
| C5 | O5 | C1 | H1 | 48.8° | 58.8° |
| O5 | C5 | C6 | H61 | 65.6° | 175.0° |
| O5 | C5 | C6 | H62 | 175.0° | 54.9° |
| O5 | C5 | C4 | H4 | 81.5° | 62.3° |
| C4 | C5 | C6 | H5 | 117.3° | 120.0° |
| C5 | C4 | O4 | H4 | 117.0° | 120.2° |
| C4 | C5 | C6 | O6 | 68.4° | 175.0° |
| C4 | C5 | C6 | H61 | 171.3° | 55.0° |
| C4 | C5 | C6 | H62 | 51.9° | 65.0° |
| C5 | C4 | C3 | H3 | 81.2° | 62.9° |
| C5 | C4 | O4 | HO4 | 54.0° | 179.7° |
| C6 | C5 | C4 | O4 | 77.8° | 62.5° |
| C5 | C6 | O6 | H61 | 120.3° | 120.0° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C5 | C6 | H61 | H62 | 119.1° | 120.0° |
| C6 | C5 | C4 | H4 | 40.1° | 57.7° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O4 | C4 | C3 | H3 | 39.2° | 57.0° |
| O4 | C4 | C5 | H5 | 39.8° | 57.5° |
| O6 | C6 | H61 | H62 | 119.0° | 120.0° |
| O6 | C6 | C5 | H5 | 174.3° | 55.0° |
| H2 | C2 | C1 | H1 | 166.9° | 177.7° |
| H2 | C2 | C3 | H3 | 174.3° | 177.1° |
| H2 | C2 | O2 | HO2 | 62.3° | 59.9° |
| H61 | C6 | C5 | H5 | 54.0° | 65.0° |
| H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H62 | C6 | C5 | H5 | 65.3° | 175.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H172 | C17 | C14 | H141 | 91.6° | 1.8° |
| H171 | C17 | C14 | H141 | 29.6° | 123.2° |
| H3 | C3 | C4 | H4 | 156.6° | 177.1° |
| H3 | C3 | O3 | HO3 | 60.8° | 60.1° |
| H4 | C4 | C5 | H5 | 157.6° | 177.7° |
| H4 | C4 | O4 | HO4 | 63.0° | 60.1° |
| H141 | C14 | C16 | H162 | 26.3° | 106.5° |
| H141 | C14 | C16 | H161 | 95.7° | 16.3° |
