DEO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| N1 | C8 | sing | 1.34Å | 1.38Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.48Å | 1.45Å | |
| C1 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.48Å | 1.45Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | O1 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C28 | sing | 1.51Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C20 | sing | 1.48Å | 1.52Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | O4 | sing | 1.36Å | 1.40Å | |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| O4 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C28 | O5 | sing | 1.34Å | 1.21Å | |
| C28 | O6 | doub | 1.21Å | 1.34Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C8 | 111.9° | 111.1° |
| C1 | N1 | C9 | 124.3° | 124.4° |
| N1 | C1 | C2 | 106.1° | 108.6° |
| N1 | C1 | O2 | 126.7° | 125.7° |
| C8 | N1 | C9 | 123.8° | 124.5° |
| N1 | C8 | C3 | 105.8° | 108.6° |
| N1 | C8 | O1 | 126.7° | 125.7° |
| N1 | C9 | C10 | 116.6° | 109.5° |
| N1 | C9 | H91 | 109.7° | 109.5° |
| N1 | C9 | H92 | 109.6° | 109.5° |
| C2 | C1 | O2 | 127.2° | 125.7° |
| C1 | C2 | C3 | 108.1° | 105.9° |
| C1 | C2 | C7 | 130.0° | 134.3° |
| C3 | C2 | C7 | 121.8° | 119.8° |
| C2 | C3 | C4 | 121.7° | 119.8° |
| C2 | C3 | C8 | 108.1° | 105.8° |
| C2 | C7 | C6 | 117.6° | 119.7° |
| C2 | C7 | H7 | 120.7° | 120.1° |
| C4 | C3 | C8 | 130.2° | 134.3° |
| C3 | C4 | C5 | 117.7° | 119.7° |
| C3 | C4 | H4 | 121.0° | 120.2° |
| C3 | C8 | O1 | 127.4° | 125.7° |
| C5 | C4 | H4 | 121.3° | 120.1° |
| C4 | C5 | C6 | 120.5° | 120.5° |
| C4 | C5 | H5 | 119.7° | 119.8° |
| C6 | C5 | H5 | 119.8° | 119.7° |
| C5 | C6 | C7 | 120.7° | 120.4° |
| C5 | C6 | H6 | 119.6° | 119.8° |
| C7 | C6 | H6 | 119.7° | 119.8° |
| C6 | C7 | H7 | 121.7° | 120.1° |
| C10 | C9 | H91 | 109.6° | 109.5° |
| C10 | C9 | H92 | 109.6° | 109.5° |
| C9 | C10 | C11 | 118.3° | 109.5° |
| C9 | C10 | H101 | 109.0° | 109.4° |
| C9 | C10 | H102 | 109.0° | 109.4° |
| H91 | C9 | H92 | 100.5° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| C10 | C11 | C12 | 110.4° | 109.5° |
| C10 | C11 | C28 | 112.1° | 109.5° |
| C10 | C11 | H11 | 106.7° | 109.5° |
| H101 | C10 | H102 | 101.0° | 109.5° |
| C12 | C11 | C28 | 108.7° | 109.5° |
| C12 | C11 | H11 | 110.3° | 109.5° |
| C11 | C12 | C13 | 114.8° | 109.5° |
| C11 | C12 | H121 | 110.2° | 109.5° |
| C11 | C12 | H122 | 110.2° | 109.5° |
| C28 | C11 | H11 | 108.6° | 109.5° |
| C11 | C28 | O5 | 123.5° | 120.0° |
| C11 | C28 | O6 | 113.5° | 120.0° |
| C13 | C12 | H121 | 110.3° | 109.5° |
| C13 | C12 | H122 | 110.3° | 109.5° |
| C12 | C13 | O3 | 117.9° | 120.0° |
| C12 | C13 | C14 | 118.9° | 120.0° |
| H121 | C12 | H122 | 100.0° | 109.4° |
| O3 | C13 | C14 | 123.2° | 120.0° |
| C13 | C14 | C15 | 123.5° | 120.1° |
| C13 | C14 | C19 | 119.0° | 120.0° |
| C15 | C14 | C19 | 117.5° | 119.9° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C19 | C18 | 120.7° | 119.9° |
| C14 | C19 | H19 | 119.9° | 120.1° |
| C16 | C15 | H15 | 119.0° | 120.0° |
| C15 | C16 | C17 | 122.3° | 120.0° |
| C15 | C16 | H16 | 118.5° | 120.0° |
| C17 | C16 | H16 | 119.2° | 120.0° |
| C16 | C17 | C18 | 116.3° | 120.1° |
| C16 | C17 | C20 | 121.6° | 119.9° |
| C18 | C17 | C20 | 122.1° | 119.9° |
| C17 | C18 | C19 | 122.1° | 120.0° |
| C17 | C18 | H18 | 119.3° | 120.0° |
| C17 | C20 | C21 | 121.1° | 120.0° |
| C17 | C20 | C25 | 122.6° | 120.1° |
| C19 | C18 | H18 | 118.6° | 120.0° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C21 | C20 | C25 | 116.3° | 119.9° |
| C20 | C21 | C22 | 122.6° | 119.9° |
| C20 | C21 | H21 | 119.2° | 120.1° |
| C20 | C25 | C24 | 121.6° | 119.9° |
| C20 | C25 | H25 | 119.3° | 120.0° |
| C22 | C21 | H21 | 118.2° | 120.0° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C21 | C22 | H22 | 118.7° | 120.0° |
| C23 | C22 | H22 | 120.2° | 120.0° |
| C22 | C23 | C24 | 117.4° | 120.2° |
| C22 | C23 | O4 | 125.9° | 119.9° |
| C24 | C23 | O4 | 116.7° | 119.9° |
| C23 | C24 | C25 | 121.0° | 120.1° |
| C23 | C24 | H24 | 119.3° | 119.9° |
| C23 | O4 | C26 | 118.3° | 106.8° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C24 | C25 | H25 | 119.1° | 120.1° |
| O4 | C26 | C27 | 109.0° | 109.5° |
| O4 | C26 | H261 | 112.4° | 109.4° |
| O4 | C26 | H262 | 112.4° | 109.5° |
| C27 | C26 | H261 | 112.4° | 109.5° |
| C27 | C26 | H262 | 112.4° | 109.5° |
| C26 | C27 | H271 | 112.4° | 109.5° |
| C26 | C27 | H272 | 109.1° | 109.5° |
| C26 | C27 | H273 | 112.4° | 109.4° |
| H261 | C26 | H262 | 98.1° | 109.5° |
| H271 | C27 | H272 | 112.4° | 109.5° |
| H271 | C27 | H273 | 98.0° | 109.5° |
| H272 | C27 | H273 | 112.4° | 109.5° |
| O5 | C28 | O6 | 123.0° | 120.0° |
| C28 | O5 | HO5 | 123.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C8 | C9 | 179.6° | 179.8° |
| N1 | C1 | C2 | O2 | 179.7° | 180.0° |
| N1 | C1 | C2 | C3 | 0.5° | 0.3° |
| N1 | C1 | C2 | C7 | 178.6° | 179.9° |
| C1 | N1 | C8 | C3 | 0.7° | 0.2° |
| C1 | N1 | C8 | O1 | 179.4° | 179.8° |
| C1 | N1 | C9 | C10 | 115.9° | 90.3° |
| C1 | N1 | C9 | H91 | 118.8° | 149.7° |
| C1 | N1 | C9 | H92 | 9.3° | 29.7° |
| C8 | N1 | C1 | C2 | 0.2° | 0.3° |
| C8 | N1 | C1 | O2 | 179.5° | 179.7° |
| N1 | C8 | C3 | C2 | 1.0° | 0.0° |
| N1 | C8 | C3 | C4 | 179.7° | 180.0° |
| N1 | C8 | C3 | O1 | 178.6° | 180.0° |
| C8 | N1 | C9 | C10 | 64.6° | 90.0° |
| C8 | N1 | C9 | H91 | 60.7° | 30.0° |
| C8 | N1 | C9 | H92 | 170.2° | 150.0° |
| C9 | N1 | C1 | C2 | 179.4° | 179.9° |
| C9 | N1 | C1 | O2 | 0.9° | 0.1° |
| C9 | N1 | C8 | C3 | 178.8° | 180.0° |
| C9 | N1 | C8 | O1 | 0.2° | 0.0° |
| N1 | C9 | C10 | H91 | 125.3° | 120.0° |
| N1 | C9 | C10 | H92 | 125.3° | 120.0° |
| N1 | C9 | H91 | H92 | 115.4° | 120.0° |
| N1 | C9 | C10 | C11 | 70.5° | 180.0° |
| N1 | C9 | C10 | H101 | 54.8° | 60.0° |
| N1 | C9 | C10 | H102 | 164.2° | 60.0° |
| C1 | C2 | C3 | C7 | 178.3° | 179.8° |
| C1 | C2 | C3 | C4 | 179.7° | 179.8° |
| C1 | C2 | C3 | C8 | 0.9° | 0.2° |
| C1 | C2 | C7 | C6 | 179.4° | 179.7° |
| C1 | C2 | C7 | H7 | 0.6° | 0.3° |
| O2 | C1 | C2 | C3 | 179.8° | 179.7° |
| O2 | C1 | C2 | C7 | 1.7° | 0.0° |
| C2 | C3 | C4 | C8 | 178.5° | 180.0° |
| C2 | C3 | C4 | C5 | 1.6° | 0.0° |
| C2 | C3 | C4 | H4 | 178.4° | 180.0° |
| C3 | C2 | C7 | C6 | 1.5° | 0.1° |
| C3 | C2 | C7 | H7 | 178.5° | 180.0° |
| C2 | C3 | C8 | O1 | 179.7° | 180.0° |
| C7 | C2 | C3 | C4 | 2.0° | 0.0° |
| C7 | C2 | C3 | C8 | 179.3° | 180.0° |
| C2 | C7 | C6 | C5 | 0.7° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | H6 | 179.3° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C4 | C3 | C8 | O1 | 1.7° | 0.0° |
| C8 | C3 | C4 | C5 | 180.0° | 180.0° |
| C8 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| H4 | C4 | C5 | C6 | 179.2° | 180.0° |
| H4 | C4 | C5 | H5 | 0.8° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| H5 | C5 | C6 | C7 | 179.6° | 180.0° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
| H6 | C6 | C7 | H7 | 0.7° | 0.0° |
| C10 | C9 | H91 | H92 | 115.4° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 114.7° | 119.9° |
| C9 | C10 | C11 | C12 | 170.7° | 175.0° |
| C9 | C10 | C11 | C28 | 67.9° | 65.0° |
| C9 | C10 | C11 | H11 | 50.8° | 55.0° |
| H91 | C9 | C10 | C11 | 164.3° | 60.0° |
| H91 | C9 | C10 | H101 | 70.5° | 180.0° |
| H91 | C9 | C10 | H102 | 39.0° | 60.0° |
| H92 | C9 | C10 | C11 | 54.8° | 60.0° |
| H92 | C9 | C10 | H101 | 179.9° | 60.0° |
| H92 | C9 | C10 | H102 | 70.5° | 180.0° |
| C11 | C10 | H101 | H102 | 114.8° | 120.1° |
| C10 | C11 | C12 | C28 | 123.4° | 120.0° |
| C10 | C11 | C12 | H11 | 117.7° | 120.0° |
| C10 | C11 | C28 | H11 | 117.7° | 120.0° |
| C10 | C11 | C12 | C13 | 158.9° | 175.0° |
| C10 | C11 | C12 | H121 | 75.9° | 65.0° |
| C10 | C11 | C12 | H122 | 33.6° | 55.0° |
| C10 | C11 | C28 | O5 | 51.7° | 60.0° |
| C10 | C11 | C28 | O6 | 127.3° | 120.0° |
| H101 | C10 | C11 | C12 | 64.0° | 65.0° |
| H101 | C10 | C11 | C28 | 57.3° | 55.0° |
| H101 | C10 | C11 | H11 | 176.1° | 175.0° |
| H102 | C10 | C11 | C12 | 45.4° | 55.0° |
| H102 | C10 | C11 | C28 | 166.8° | 175.0° |
| H102 | C10 | C11 | H11 | 74.5° | 65.0° |
| C12 | C11 | C28 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 116.1° | 120.0° |
| C11 | C12 | C13 | O3 | 80.0° | 0.0° |
| C11 | C12 | C13 | C14 | 100.4° | 180.0° |
| C12 | C11 | C28 | O5 | 70.6° | 180.0° |
| C12 | C11 | C28 | O6 | 110.4° | 0.0° |
| C28 | C11 | C12 | C13 | 77.8° | 65.0° |
| C28 | C11 | C12 | H121 | 47.5° | 55.0° |
| C28 | C11 | C12 | H122 | 157.0° | 175.0° |
| C11 | C28 | O5 | O6 | 178.9° | 180.0° |
| C11 | C28 | O5 | HO5 | 180.0° | 180.0° |
| H11 | C11 | C12 | C13 | 41.1° | 55.0° |
| H11 | C11 | C12 | H121 | 166.4° | 175.0° |
| H11 | C11 | C12 | H122 | 84.1° | 65.0° |
| H11 | C11 | C28 | O5 | 169.4° | 60.1° |
| H11 | C11 | C28 | O6 | 9.6° | 120.0° |
| C13 | C12 | H121 | H122 | 116.1° | 120.0° |
| C12 | C13 | O3 | C14 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 19.3° | 180.0° |
| C12 | C13 | C14 | C19 | 160.9° | 0.1° |
| H121 | C12 | C13 | O3 | 154.8° | 120.0° |
| H121 | C12 | C13 | C14 | 24.8° | 60.0° |
| H122 | C12 | C13 | O3 | 45.3° | 120.0° |
| H122 | C12 | C13 | C14 | 134.3° | 60.0° |
| O3 | C13 | C14 | C15 | 160.3° | 0.0° |
| O3 | C13 | C14 | C19 | 19.5° | 179.9° |
| C13 | C14 | C15 | C19 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 179.5° | 180.0° |
| C13 | C14 | C15 | H15 | 0.5° | 0.1° |
| C13 | C14 | C19 | C18 | 179.5° | 179.8° |
| C13 | C14 | C19 | H19 | 0.5° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| C15 | C14 | C19 | C18 | 0.3° | 0.3° |
| C15 | C14 | C19 | H19 | 179.7° | 180.0° |
| C19 | C14 | C15 | C16 | 0.3° | 0.1° |
| C19 | C14 | C15 | H15 | 179.7° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.6° |
| C14 | C19 | C18 | H19 | 180.0° | 179.7° |
| C14 | C19 | C18 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.4° |
| C15 | C16 | C17 | C20 | 178.8° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 179.9° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| C16 | C17 | C18 | C20 | 178.8° | 179.6° |
| C16 | C17 | C18 | C19 | 0.1° | 0.6° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C16 | C17 | C20 | C21 | 162.2° | 140.3° |
| C16 | C17 | C20 | C25 | 16.6° | 39.7° |
| H16 | C16 | C17 | C18 | 180.0° | 179.8° |
| H16 | C16 | C17 | C20 | 1.2° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.5° |
| C17 | C18 | C19 | H19 | 179.9° | 179.7° |
| C18 | C17 | C20 | C21 | 16.6° | 40.1° |
| C18 | C17 | C20 | C25 | 164.6° | 140.0° |
| C20 | C17 | C18 | C19 | 178.8° | 179.7° |
| C20 | C17 | C18 | H18 | 1.2° | 0.3° |
| C17 | C20 | C21 | C25 | 178.9° | 179.9° |
| C17 | C20 | C21 | C22 | 178.6° | 180.0° |
| C17 | C20 | C21 | H21 | 1.3° | 0.1° |
| C17 | C20 | C25 | C24 | 178.6° | 179.8° |
| C17 | C20 | C25 | H25 | 1.4° | 0.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C20 | C25 | C24 | 0.3° | 0.2° |
| C21 | C20 | C25 | H25 | 179.7° | 180.0° |
| C25 | C20 | C21 | C22 | 0.2° | 0.1° |
| C25 | C20 | C21 | H21 | 179.8° | 180.0° |
| C20 | C25 | C24 | C23 | 0.1° | 0.4° |
| C20 | C25 | C24 | H25 | 180.0° | 179.8° |
| C20 | C25 | C24 | H24 | 179.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.2° |
| C21 | C22 | C23 | O4 | 179.3° | 180.0° |
| H21 | C21 | C22 | C23 | 179.8° | 180.0° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| C22 | C23 | C24 | O4 | 179.8° | 179.7° |
| C22 | C23 | C24 | C25 | 0.5° | 0.5° |
| C22 | C23 | C24 | H24 | 179.5° | 180.0° |
| C22 | C23 | O4 | C26 | 0.1° | 180.0° |
| H22 | C22 | C23 | C24 | 179.5° | 179.8° |
| H22 | C22 | C23 | O4 | 0.7° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.6° |
| C23 | C24 | C25 | H25 | 179.9° | 179.8° |
| C24 | C23 | O4 | C26 | 179.6° | 0.2° |
| O4 | C23 | C24 | C25 | 179.3° | 179.8° |
| O4 | C23 | C24 | H24 | 0.7° | 0.2° |
| C23 | O4 | C26 | C27 | 179.7° | 180.0° |
| C23 | O4 | C26 | H261 | 54.5° | 60.0° |
| C23 | O4 | C26 | H262 | 55.0° | 60.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.2° |
| O4 | C26 | C27 | H261 | 125.3° | 120.0° |
| O4 | C26 | C27 | H262 | 125.3° | 120.0° |
| O4 | C26 | H261 | H262 | 118.3° | 120.0° |
| O4 | C26 | C27 | H271 | 54.7° | 180.0° |
| O4 | C26 | C27 | H272 | 180.0° | 60.0° |
| O4 | C26 | C27 | H273 | 54.7° | 60.0° |
| C27 | C26 | H261 | H262 | 118.3° | 120.0° |
| C26 | C27 | H271 | H272 | 123.4° | 120.0° |
| C26 | C27 | H271 | H273 | 118.3° | 120.0° |
| C26 | C27 | H272 | H273 | 125.3° | 120.0° |
| H261 | C26 | C27 | H271 | 180.0° | 60.1° |
| H261 | C26 | C27 | H272 | 54.7° | 60.0° |
| H261 | C26 | C27 | H273 | 70.6° | 180.0° |
| H262 | C26 | C27 | H271 | 70.5° | 60.0° |
| H262 | C26 | C27 | H272 | 54.7° | 180.0° |
| H262 | C26 | C27 | H273 | 180.0° | 60.0° |
| H271 | C27 | H272 | H273 | 109.5° | 120.0° |
| O6 | C28 | O5 | HO5 | 1.0° | 0.1° |
