A1IXY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | O2 | sing | 1.34Å | 1.36Å | |
| C10 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C28 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | C3 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.42Å | 1.44Å | Aromatic |
| C14 | C27 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C28 | doub | 1.41Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C17 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | O5 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | O5 | sing | 1.43Å | 1.42Å | |
| C19 | N1 | sing | 1.35Å | 1.33Å | |
| C19 | O6 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C25 | sing | 1.53Å | 1.54Å | |
| C20 | N1 | sing | 1.47Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
| C6 | O3 | sing | 1.37Å | 1.35Å | |
| C7 | O3 | sing | 1.44Å | 1.41Å | |
| C7 | O4 | sing | 1.44Å | 1.40Å | |
| C8 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | O4 | sing | 1.36Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | HC20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | HC27 | sing | 1.08Å | 1.08Å | |
| C28 | HC28 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C9 | HC9 | sing | 1.08Å | 1.08Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 121.4° | 120.0° |
| C2 | C1 | O2 | 115.8° | 120.0° |
| C1 | C2 | C3 | 114.4° | 109.5° |
| C1 | C2 | H22 | 108.2° | 109.5° |
| C1 | C2 | H21 | 108.2° | 109.4° |
| O1 | C1 | O2 | 122.8° | 120.0° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C4 | C10 | C9 | 122.4° | 120.1° |
| C10 | C4 | C3 | 118.5° | 119.9° |
| C10 | C4 | C5 | 119.0° | 120.2° |
| C4 | C10 | HC10 | 118.8° | 119.9° |
| C10 | C9 | C8 | 116.5° | 120.1° |
| C9 | C10 | HC10 | 118.8° | 120.0° |
| C10 | C9 | HC9 | 121.7° | 120.0° |
| C12 | C11 | C28 | 121.1° | 121.0° |
| C12 | C11 | C3 | 117.4° | 119.5° |
| C11 | C12 | C13 | 120.7° | 121.0° |
| C11 | C12 | HC12 | 119.6° | 119.5° |
| C28 | C11 | C3 | 121.5° | 119.5° |
| C11 | C28 | C15 | 118.9° | 119.7° |
| C11 | C28 | HC28 | 120.6° | 120.2° |
| C11 | C3 | C2 | 115.2° | 109.4° |
| C11 | C3 | C4 | 110.2° | 109.5° |
| C11 | C3 | HC3 | 104.2° | 109.5° |
| C12 | C13 | C14 | 120.6° | 119.7° |
| C13 | C12 | HC12 | 119.6° | 119.6° |
| C12 | C13 | HC13 | 119.7° | 120.2° |
| C13 | C14 | C15 | 120.5° | 119.3° |
| C13 | C14 | C27 | 120.2° | 121.2° |
| C14 | C13 | HC13 | 119.7° | 120.1° |
| C15 | C14 | C27 | 119.3° | 119.4° |
| C14 | C15 | C16 | 119.6° | 119.4° |
| C14 | C15 | C28 | 118.2° | 119.3° |
| C14 | C27 | C26 | 118.7° | 119.7° |
| C14 | C27 | HC27 | 120.7° | 120.2° |
| C16 | C15 | C28 | 122.2° | 121.3° |
| C15 | C16 | C17 | 119.3° | 119.7° |
| C15 | C16 | HC16 | 120.3° | 120.2° |
| C15 | C28 | HC28 | 120.6° | 120.2° |
| C16 | C17 | C26 | 119.9° | 120.8° |
| C16 | C17 | O5 | 122.5° | 119.6° |
| C17 | C16 | HC16 | 120.4° | 120.2° |
| C26 | C17 | O5 | 117.7° | 119.6° |
| C17 | C26 | C27 | 123.2° | 120.9° |
| C17 | C26 | HC26 | 118.4° | 119.5° |
| C17 | O5 | C18 | 119.5° | 117.0° |
| C19 | C18 | O5 | 107.8° | 109.5° |
| C18 | C19 | N1 | 117.1° | 120.0° |
| C18 | C19 | O6 | 118.4° | 120.0° |
| C19 | C18 | H182 | 109.9° | 109.5° |
| C19 | C18 | H181 | 109.9° | 109.5° |
| O5 | C18 | H182 | 109.9° | 109.4° |
| O5 | C18 | H181 | 109.9° | 109.5° |
| N1 | C19 | O6 | 124.5° | 120.0° |
| C19 | N1 | C20 | 124.6° | 120.0° |
| C19 | N1 | HN1 | 117.7° | 120.1° |
| C2 | C3 | C4 | 116.9° | 109.5° |
| C2 | C3 | HC3 | 104.6° | 109.5° |
| C3 | C2 | H22 | 108.2° | 109.4° |
| C3 | C2 | H21 | 108.2° | 109.5° |
| C21 | C20 | C25 | 111.5° | 109.4° |
| C21 | C20 | N1 | 107.6° | 109.4° |
| C20 | C21 | C22 | 106.2° | 109.5° |
| C21 | C20 | HC20 | 109.7° | 109.5° |
| C20 | C21 | H211 | 110.3° | 109.5° |
| C20 | C21 | H212 | 110.3° | 109.5° |
| C25 | C20 | N1 | 107.7° | 109.5° |
| C20 | C25 | C24 | 115.2° | 109.5° |
| C25 | C20 | HC20 | 109.5° | 109.5° |
| C20 | C25 | H252 | 108.0° | 109.5° |
| C20 | C25 | H251 | 108.0° | 109.5° |
| C20 | N1 | HN1 | 117.7° | 120.0° |
| N1 | C20 | HC20 | 110.9° | 109.5° |
| C21 | C22 | C23 | 114.4° | 109.5° |
| C22 | C21 | H211 | 110.3° | 109.5° |
| C22 | C21 | H212 | 110.3° | 109.4° |
| C21 | C22 | H221 | 108.2° | 109.4° |
| C21 | C22 | H222 | 108.2° | 109.5° |
| C22 | C23 | C24 | 115.6° | 109.5° |
| C22 | C23 | H231 | 107.9° | 109.4° |
| C22 | C23 | H232 | 108.0° | 109.4° |
| C23 | C22 | H221 | 108.2° | 109.4° |
| C23 | C22 | H222 | 108.2° | 109.5° |
| C23 | C24 | C25 | 110.1° | 109.5° |
| C24 | C23 | H231 | 107.9° | 109.5° |
| C24 | C23 | H232 | 107.9° | 109.5° |
| C23 | C24 | H242 | 109.3° | 109.4° |
| C23 | C24 | H241 | 109.3° | 109.5° |
| C25 | C24 | H242 | 109.3° | 109.5° |
| C25 | C24 | H241 | 109.3° | 109.5° |
| C24 | C25 | H252 | 108.0° | 109.4° |
| C24 | C25 | H251 | 108.0° | 109.4° |
| C26 | C27 | HC27 | 120.7° | 120.1° |
| C27 | C26 | HC26 | 118.4° | 119.5° |
| C3 | C4 | C5 | 122.5° | 119.9° |
| C4 | C3 | HC3 | 104.0° | 109.5° |
| C4 | C5 | C6 | 116.9° | 120.0° |
| C4 | C5 | HC5 | 121.6° | 120.0° |
| C5 | C6 | C8 | 121.9° | 119.8° |
| C5 | C6 | O3 | 130.2° | 131.6° |
| C6 | C5 | HC5 | 121.5° | 120.0° |
| C8 | C6 | O3 | 107.9° | 108.6° |
| C6 | C8 | C9 | 123.2° | 119.8° |
| C6 | C8 | O4 | 108.8° | 108.6° |
| C6 | O3 | C7 | 101.4° | 105.5° |
| O3 | C7 | O4 | 104.5° | 103.8° |
| O3 | C7 | H72 | 110.7° | 110.6° |
| O3 | C7 | H71 | 110.7° | 110.5° |
| C7 | O4 | C8 | 100.6° | 105.5° |
| O4 | C7 | H72 | 110.7° | 110.6° |
| O4 | C7 | H71 | 110.7° | 110.5° |
| C9 | C8 | O4 | 128.1° | 131.6° |
| C8 | C9 | HC9 | 121.7° | 119.9° |
| H72 | C7 | H71 | 109.5° | 110.6° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H22 | C2 | H21 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.8° | 180.0° |
| C1 | C2 | C3 | C11 | 167.9° | 65.0° |
| C1 | C2 | C3 | H22 | 120.7° | 120.0° |
| C1 | C2 | C3 | H21 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 60.2° | 175.0° |
| C1 | C2 | C3 | HC3 | 54.2° | 55.0° |
| C1 | C2 | H22 | H21 | 117.7° | 120.0° |
| C2 | C1 | O2 | H1 | 179.8° | 180.0° |
| O1 | C1 | C2 | C3 | 133.2° | 0.0° |
| O1 | C1 | C2 | H22 | 106.0° | 119.9° |
| O1 | C1 | C2 | H21 | 12.5° | 120.0° |
| O1 | C1 | O2 | H1 | 0.0° | 0.0° |
| O2 | C1 | C2 | C3 | 46.6° | 180.0° |
| O2 | C1 | C2 | H22 | 74.2° | 60.0° |
| O2 | C1 | C2 | H21 | 167.3° | 60.0° |
| C4 | C10 | C9 | HC10 | 180.0° | 179.9° |
| C10 | C4 | C3 | C11 | 57.6° | 112.2° |
| C10 | C4 | C3 | C2 | 168.3° | 127.8° |
| C10 | C4 | C3 | C5 | 178.8° | 179.8° |
| C10 | C4 | C5 | C6 | 0.9° | 0.3° |
| C4 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C4 | C3 | HC3 | 53.5° | 7.8° |
| C10 | C4 | C5 | HC5 | 179.1° | 179.8° |
| C4 | C10 | C9 | HC9 | 180.0° | 180.0° |
| C9 | C10 | C4 | C3 | 179.6° | 180.0° |
| C9 | C10 | C4 | C5 | 0.8° | 0.2° |
| C10 | C9 | C8 | C6 | 0.6° | 0.3° |
| C10 | C9 | C8 | HC9 | 180.0° | 180.0° |
| C10 | C9 | C8 | O4 | 180.0° | 179.9° |
| C12 | C11 | C28 | C3 | 178.8° | 179.6° |
| C11 | C12 | C13 | HC12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 2.5° | 0.1° |
| C12 | C11 | C28 | C15 | 0.6° | 0.1° |
| C12 | C11 | C3 | C2 | 98.9° | 51.9° |
| C12 | C11 | C3 | C4 | 126.1° | 68.1° |
| C12 | C11 | C3 | HC3 | 15.1° | 171.9° |
| C11 | C12 | C13 | HC13 | 177.5° | 179.9° |
| C12 | C11 | C28 | HC28 | 179.4° | 180.0° |
| C28 | C11 | C12 | C13 | 2.0° | 0.1° |
| C11 | C28 | C15 | C14 | 0.2° | 0.1° |
| C11 | C28 | C15 | C16 | 179.6° | 180.0° |
| C11 | C28 | C15 | HC28 | 180.0° | 179.9° |
| C28 | C11 | C3 | C2 | 82.3° | 128.5° |
| C28 | C11 | C3 | C4 | 52.7° | 111.5° |
| C28 | C11 | C3 | HC3 | 163.8° | 8.5° |
| C28 | C11 | C12 | HC12 | 178.0° | 180.0° |
| C3 | C11 | C12 | C13 | 176.9° | 179.7° |
| C3 | C11 | C28 | C15 | 178.2° | 179.7° |
| C11 | C3 | C2 | C4 | 131.9° | 120.0° |
| C11 | C3 | C2 | HC3 | 113.7° | 120.0° |
| C11 | C3 | C4 | HC3 | 111.2° | 120.0° |
| C11 | C3 | C4 | C5 | 121.2° | 68.0° |
| C3 | C11 | C12 | HC12 | 3.2° | 0.4° |
| C3 | C11 | C28 | HC28 | 1.8° | 0.3° |
| C11 | C3 | C2 | H22 | 47.2° | 175.0° |
| C11 | C3 | C2 | H21 | 71.3° | 55.0° |
| C12 | C13 | C14 | HC13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.6° | 0.0° |
| C12 | C13 | C14 | C27 | 178.7° | 179.9° |
| C13 | C14 | C15 | C27 | 179.7° | 179.9° |
| C13 | C14 | C15 | C16 | 179.1° | 179.9° |
| C13 | C14 | C15 | C28 | 0.3° | 0.0° |
| C13 | C14 | C27 | C26 | 178.1° | 180.0° |
| C14 | C13 | C12 | HC12 | 177.5° | 179.9° |
| C13 | C14 | C27 | HC27 | 1.9° | 0.0° |
| C14 | C15 | C16 | C28 | 179.4° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C14 | C27 | C26 | 1.5° | 0.0° |
| C15 | C14 | C13 | HC13 | 178.4° | 180.0° |
| C14 | C15 | C16 | HC16 | 179.8° | 180.0° |
| C15 | C14 | C27 | HC27 | 178.5° | 180.0° |
| C14 | C15 | C28 | HC28 | 179.8° | 180.0° |
| C27 | C14 | C15 | C16 | 0.6° | 0.0° |
| C27 | C14 | C15 | C28 | 179.9° | 179.9° |
| C14 | C27 | C26 | C17 | 2.2° | 0.0° |
| C14 | C27 | C26 | HC27 | 180.0° | 180.0° |
| C27 | C14 | C13 | HC13 | 1.3° | 0.1° |
| C14 | C27 | C26 | HC26 | 177.8° | 180.0° |
| C15 | C16 | C17 | HC16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C26 | 0.9° | 0.1° |
| C15 | C16 | C17 | O5 | 179.2° | 180.0° |
| C16 | C15 | C28 | HC28 | 0.4° | 0.1° |
| C28 | C15 | C16 | C17 | 179.6° | 180.0° |
| C28 | C15 | C16 | HC16 | 0.4° | 0.1° |
| C16 | C17 | C26 | O5 | 179.9° | 179.9° |
| C16 | C17 | O5 | C18 | 0.1° | 180.0° |
| C16 | C17 | C26 | C27 | 2.0° | 0.1° |
| C16 | C17 | C26 | HC26 | 178.0° | 180.0° |
| C26 | C17 | O5 | C18 | 179.9° | 0.1° |
| C17 | C26 | C27 | HC26 | 180.0° | 180.0° |
| C26 | C17 | C16 | HC16 | 179.1° | 180.0° |
| C17 | C26 | C27 | HC27 | 177.7° | 180.0° |
| C17 | O5 | C18 | C19 | 70.1° | 180.0° |
| O5 | C17 | C26 | C27 | 178.1° | 180.0° |
| O5 | C17 | C16 | HC16 | 0.8° | 0.1° |
| C17 | O5 | C18 | H182 | 49.6° | 60.0° |
| C17 | O5 | C18 | H181 | 170.1° | 60.0° |
| O5 | C17 | C26 | HC26 | 1.9° | 0.1° |
| C19 | C18 | O5 | H182 | 119.7° | 120.0° |
| C19 | C18 | O5 | H181 | 119.8° | 120.0° |
| C18 | C19 | N1 | O6 | 179.0° | 180.0° |
| C18 | C19 | N1 | C20 | 179.6° | 179.7° |
| C18 | C19 | N1 | HN1 | 0.3° | 0.1° |
| C19 | C18 | H182 | H181 | 120.7° | 120.0° |
| O5 | C18 | C19 | N1 | 139.2° | 180.0° |
| O5 | C18 | C19 | O6 | 41.7° | 0.0° |
| O5 | C18 | H182 | H181 | 120.8° | 120.0° |
| C19 | N1 | C20 | C21 | 162.4° | 154.7° |
| C19 | N1 | C20 | C25 | 77.3° | 85.3° |
| C19 | N1 | C20 | HN1 | 180.0° | 179.7° |
| N1 | C19 | C18 | H182 | 19.5° | 60.0° |
| N1 | C19 | C18 | H181 | 101.0° | 60.0° |
| C19 | N1 | C20 | HC20 | 42.4° | 34.7° |
| O6 | C19 | N1 | C20 | 1.3° | 0.3° |
| O6 | C19 | N1 | HN1 | 178.7° | 180.0° |
| O6 | C19 | C18 | H182 | 161.5° | 120.0° |
| O6 | C19 | C18 | H181 | 78.1° | 120.0° |
| C2 | C3 | C4 | HC3 | 114.7° | 120.0° |
| C2 | C3 | C4 | C5 | 13.0° | 51.9° |
| C3 | C2 | H22 | H21 | 117.7° | 120.0° |
| C21 | C20 | C25 | N1 | 117.8° | 119.9° |
| C21 | C20 | C25 | HC20 | 121.5° | 120.0° |
| C21 | C20 | N1 | HC20 | 119.9° | 120.0° |
| C20 | C21 | C22 | H211 | 119.5° | 120.0° |
| C20 | C21 | C22 | H212 | 119.5° | 120.0° |
| C20 | C21 | C22 | C23 | 57.0° | 60.0° |
| C21 | C20 | C25 | C24 | 57.9° | 60.0° |
| C21 | C20 | N1 | HN1 | 17.7° | 24.9° |
| C20 | C21 | H211 | H212 | 121.5° | 120.0° |
| C20 | C21 | C22 | H221 | 63.7° | 60.0° |
| C20 | C21 | C22 | H222 | 177.7° | 180.0° |
| C21 | C20 | C25 | H252 | 63.0° | 60.0° |
| C21 | C20 | C25 | H251 | 178.7° | 180.0° |
| C25 | C20 | N1 | HC20 | 119.7° | 120.0° |
| C25 | C20 | C21 | C22 | 59.9° | 60.0° |
| C20 | C25 | C24 | C23 | 45.5° | 60.0° |
| C20 | C25 | C24 | H252 | 120.8° | 120.0° |
| C20 | C25 | C24 | H251 | 120.8° | 120.0° |
| C25 | C20 | N1 | HN1 | 102.7° | 95.0° |
| C25 | C20 | C21 | H211 | 179.4° | 180.0° |
| C25 | C20 | C21 | H212 | 59.6° | 59.9° |
| C20 | C25 | C24 | H242 | 74.6° | 60.0° |
| C20 | C25 | C24 | H241 | 165.6° | 180.0° |
| C20 | C25 | H252 | H251 | 117.4° | 120.0° |
| N1 | C20 | C21 | C22 | 177.8° | 180.0° |
| N1 | C20 | C25 | C24 | 175.7° | 180.0° |
| N1 | C20 | C21 | H211 | 62.6° | 60.0° |
| N1 | C20 | C21 | H212 | 58.3° | 60.0° |
| N1 | C20 | C25 | H252 | 54.9° | 60.0° |
| N1 | C20 | C25 | H251 | 63.5° | 60.1° |
| C21 | C22 | C23 | H221 | 120.7° | 119.9° |
| C21 | C22 | C23 | H222 | 120.7° | 120.1° |
| C21 | C22 | C23 | C24 | 50.0° | 60.0° |
| C22 | C21 | C20 | HC20 | 61.5° | 60.0° |
| C22 | C21 | H211 | H212 | 121.5° | 120.0° |
| C21 | C22 | C23 | H231 | 170.9° | 180.0° |
| C21 | C22 | C23 | H232 | 70.9° | 60.1° |
| C21 | C22 | H221 | H222 | 117.8° | 120.0° |
| C22 | C23 | C24 | H231 | 120.9° | 120.0° |
| C22 | C23 | C24 | H232 | 120.9° | 120.0° |
| C22 | C23 | C24 | C25 | 41.3° | 60.0° |
| C23 | C22 | C21 | H211 | 176.5° | 180.0° |
| C23 | C22 | C21 | H212 | 62.5° | 60.0° |
| C22 | C23 | H231 | H232 | 117.3° | 119.9° |
| C23 | C22 | H221 | H222 | 117.7° | 120.0° |
| C22 | C23 | C24 | H242 | 78.8° | 60.0° |
| C22 | C23 | C24 | H241 | 161.4° | 180.0° |
| C23 | C24 | C25 | H242 | 120.1° | 120.0° |
| C23 | C24 | C25 | H241 | 120.1° | 120.0° |
| C24 | C23 | H231 | H232 | 117.2° | 120.0° |
| C24 | C23 | C22 | H221 | 70.7° | 60.0° |
| C24 | C23 | C22 | H222 | 170.7° | 180.0° |
| C23 | C24 | H242 | H241 | 119.7° | 120.0° |
| C23 | C24 | C25 | H252 | 75.3° | 60.0° |
| C23 | C24 | C25 | H251 | 166.4° | 180.0° |
| C24 | C25 | C20 | HC20 | 63.7° | 60.0° |
| C25 | C24 | C23 | H231 | 162.2° | 180.0° |
| C25 | C24 | C23 | H232 | 79.6° | 60.0° |
| C25 | C24 | H242 | H241 | 119.7° | 120.0° |
| C24 | C25 | H252 | H251 | 117.4° | 120.0° |
| C3 | C4 | C5 | C6 | 179.6° | 180.0° |
| C3 | C4 | C5 | HC5 | 0.4° | 0.0° |
| C3 | C4 | C10 | HC10 | 0.4° | 0.1° |
| C4 | C3 | C2 | H22 | 179.1° | 55.0° |
| C4 | C3 | C2 | H21 | 60.6° | 65.0° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C8 | 0.3° | 0.0° |
| C4 | C5 | C6 | O3 | 179.2° | 180.0° |
| C5 | C4 | C3 | HC3 | 127.7° | 171.9° |
| C5 | C4 | C10 | HC10 | 179.3° | 179.7° |
| C5 | C6 | C8 | O3 | 179.6° | 180.0° |
| C5 | C6 | O3 | C7 | 155.8° | 162.7° |
| C5 | C6 | C8 | C9 | 0.5° | 0.3° |
| C5 | C6 | C8 | O4 | 180.0° | 179.9° |
| C8 | C6 | O3 | C7 | 23.7° | 17.3° |
| C6 | C8 | O4 | C7 | 24.4° | 17.2° |
| C6 | C8 | C9 | O4 | 179.4° | 179.6° |
| C8 | C6 | C5 | HC5 | 179.7° | 179.9° |
| C6 | C8 | C9 | HC9 | 179.4° | 179.7° |
| C6 | O3 | C7 | O4 | 39.3° | 27.1° |
| O3 | C6 | C8 | C9 | 179.9° | 179.7° |
| O3 | C6 | C8 | O4 | 0.4° | 0.0° |
| O3 | C6 | C5 | HC5 | 0.8° | 0.1° |
| C6 | O3 | C7 | H72 | 158.6° | 145.7° |
| C6 | O3 | C7 | H71 | 79.9° | 91.4° |
| O3 | C7 | O4 | H72 | 119.2° | 118.6° |
| O3 | C7 | O4 | H71 | 119.2° | 118.5° |
| O3 | C7 | O4 | C8 | 39.2° | 27.1° |
| O3 | C7 | H72 | H71 | 122.3° | 122.8° |
| C7 | O4 | C8 | C9 | 156.1° | 162.4° |
| O4 | C7 | H72 | H71 | 122.3° | 122.8° |
| C8 | C9 | C10 | HC10 | 180.0° | 180.0° |
| C8 | O4 | C7 | H72 | 158.4° | 145.7° |
| C8 | O4 | C7 | H71 | 80.0° | 91.4° |
| O4 | C8 | C9 | HC9 | 0.0° | 0.1° |
| HN1 | N1 | C20 | HC20 | 137.6° | 145.0° |
| HC3 | C3 | C2 | H22 | 66.5° | 65.0° |
| HC3 | C3 | C2 | H21 | 174.9° | 175.0° |
| HC10 | C10 | C9 | HC9 | 0.0° | 0.0° |
| HC12 | C12 | C13 | HC13 | 2.5° | 0.1° |
| HC20 | C20 | C21 | H211 | 58.0° | 60.0° |
| HC20 | C20 | C21 | H212 | 179.0° | 179.9° |
| HC20 | C20 | C25 | H252 | 175.5° | 179.9° |
| HC20 | C20 | C25 | H251 | 57.2° | 60.0° |
| H211 | C21 | C22 | H221 | 55.8° | 60.0° |
| H211 | C21 | C22 | H222 | 62.8° | 59.9° |
| H212 | C21 | C22 | H221 | 176.7° | 180.0° |
| H212 | C21 | C22 | H222 | 58.2° | 60.1° |
| H231 | C23 | C22 | H221 | 50.1° | 60.1° |
| H231 | C23 | C22 | H222 | 68.4° | 59.9° |
| H231 | C23 | C24 | H242 | 42.1° | 60.0° |
| H231 | C23 | C24 | H241 | 77.8° | 60.0° |
| H232 | C23 | C22 | H221 | 168.4° | NaN° |
| H232 | C23 | C22 | H222 | 49.8° | 60.0° |
| H232 | C23 | C24 | H242 | 160.3° | 180.0° |
| H232 | C23 | C24 | H241 | 40.4° | 60.0° |
| HC27 | C27 | C26 | HC26 | 2.3° | 0.0° |
| H242 | C24 | C25 | H252 | 164.6° | 180.0° |
| H242 | C24 | C25 | H251 | 46.3° | 60.0° |
| H241 | C24 | C25 | H252 | 44.8° | 60.0° |
| H241 | C24 | C25 | H251 | 73.5° | 60.0° |
