A1AQ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O11 | sing | 1.45Å | 1.42Å | |
| O11 | C12 | sing | 1.35Å | 1.44Å | |
| O33 | C12 | doub | 1.22Å | 1.23Å | |
| C12 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| N13 | C13 | sing | 1.47Å | 1.46Å | |
| C34 | C14 | sing | 1.54Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C16 | C34 | sing | 1.55Å | 1.52Å | |
| C13 | C16 | sing | 1.55Å | 1.51Å | |
| O3 | C16 | sing | 1.43Å | 1.42Å | |
| O38 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.35Å | 1.32Å | |
| N16 | C17 | sing | 1.46Å | 1.44Å | |
| C8 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| O9 | C8 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| N23 | C24 | sing | 1.34Å | 1.34Å | |
| C24 | O26 | doub | 1.21Å | 1.21Å | |
| C10 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C18 | C10 | sing | 1.53Å | 1.53Å | |
| C23 | C10 | sing | 1.53Å | 1.52Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | C9 | 119.3° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.3° | 120.0° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C5 | C4 | H4 | 120.4° | 120.1° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C4 | C3 | C9 | 120.3° | 120.0° |
| C4 | C3 | C1 | 119.3° | 120.0° |
| C3 | C4 | H4 | 120.4° | 119.9° |
| C7 | C9 | C3 | 120.4° | 120.0° |
| C9 | C7 | H7 | 120.3° | 119.9° |
| C7 | C9 | H9 | 119.8° | 120.0° |
| C9 | C3 | C1 | 120.4° | 120.1° |
| C3 | C9 | H9 | 119.8° | 120.0° |
| C3 | C1 | O11 | 108.6° | 109.5° |
| C3 | C1 | H12 | 109.7° | 109.4° |
| C3 | C1 | H1 | 109.7° | 109.5° |
| C1 | O11 | C12 | 121.4° | 117.0° |
| O11 | C1 | H12 | 109.7° | 109.4° |
| O11 | C1 | H1 | 109.7° | 109.5° |
| O11 | C12 | O33 | 119.8° | 120.0° |
| O11 | C12 | N13 | 116.2° | 120.0° |
| O33 | C12 | N13 | 124.0° | 120.0° |
| C12 | N13 | C14 | 120.3° | 125.7° |
| C12 | N13 | C13 | 126.6° | 125.6° |
| C14 | N13 | C13 | 113.1° | 108.7° |
| N13 | C14 | C34 | 102.5° | 107.3° |
| N13 | C14 | C15 | 110.6° | 109.9° |
| N13 | C14 | H14 | 111.3° | 110.0° |
| N13 | C13 | C16 | 102.6° | 104.8° |
| N13 | C13 | H13 | 111.2° | 110.4° |
| N13 | C13 | H131 | 111.2° | 110.5° |
| C34 | C14 | C15 | 111.3° | 109.9° |
| C14 | C34 | C16 | 106.3° | 103.0° |
| C34 | C14 | H14 | 110.3° | 109.9° |
| C14 | C34 | H341 | 110.2° | 110.7° |
| C14 | C34 | H34 | 110.3° | 110.7° |
| C14 | C15 | O38 | 121.5° | 120.0° |
| C14 | C15 | N16 | 115.3° | 120.0° |
| C15 | C14 | H14 | 110.6° | 109.9° |
| C34 | C16 | C13 | 102.5° | 101.6° |
| C34 | C16 | O3 | 109.6° | 111.0° |
| C34 | C16 | H16 | 111.9° | 111.0° |
| C16 | C34 | H341 | 110.2° | 110.7° |
| C16 | C34 | H34 | 110.2° | 110.7° |
| C13 | C16 | O3 | 107.0° | 111.0° |
| C16 | C13 | H13 | 111.2° | 110.3° |
| C16 | C13 | H131 | 111.2° | 110.4° |
| C13 | C16 | H16 | 111.9° | 111.0° |
| C16 | O3 | C10 | 117.8° | 114.0° |
| O3 | C16 | H16 | 113.5° | 110.9° |
| O38 | C15 | N16 | 123.2° | 120.0° |
| C15 | N16 | C17 | 119.7° | 120.0° |
| C15 | N16 | HN16 | 120.1° | 120.0° |
| N16 | C17 | C8 | 106.9° | 109.5° |
| N16 | C17 | C19 | 109.2° | 109.5° |
| N16 | C17 | H17 | 109.7° | 109.5° |
| C17 | N16 | HN16 | 120.1° | 120.0° |
| C8 | C17 | C19 | 113.9° | 109.4° |
| C17 | C8 | O9 | 111.5° | 109.5° |
| C8 | C17 | H17 | 108.6° | 109.5° |
| C17 | C8 | H81 | 109.0° | 109.4° |
| C17 | C8 | H8 | 109.0° | 109.5° |
| C17 | C19 | C20 | 108.5° | 109.5° |
| C19 | C17 | H17 | 108.5° | 109.4° |
| C17 | C19 | H191 | 109.7° | 109.4° |
| C17 | C19 | H19 | 109.7° | 109.5° |
| O9 | C8 | H81 | 108.9° | 109.5° |
| O9 | C8 | H8 | 109.0° | 109.5° |
| C8 | O9 | HO9 | 109.5° | 114.0° |
| C19 | C20 | C21 | 112.3° | 110.5° |
| C19 | C20 | C24 | 111.8° | 110.5° |
| C20 | C19 | H191 | 109.7° | 109.5° |
| C20 | C19 | H19 | 109.7° | 109.5° |
| C19 | C20 | H20 | 109.7° | 110.4° |
| C21 | C20 | C24 | 103.4° | 104.2° |
| C20 | C21 | C22 | 105.1° | 101.7° |
| C21 | C20 | H20 | 109.6° | 110.5° |
| C20 | C21 | H211 | 110.6° | 111.0° |
| C20 | C21 | H21 | 110.5° | 111.0° |
| C20 | C24 | N23 | 111.3° | 110.1° |
| C20 | C24 | O26 | 123.4° | 125.0° |
| C24 | C20 | H20 | 109.9° | 110.6° |
| C21 | C22 | N23 | 105.2° | 105.5° |
| C22 | C21 | H211 | 110.5° | 110.9° |
| C22 | C21 | H21 | 110.6° | 111.0° |
| C21 | C22 | H22 | 110.5° | 110.2° |
| C21 | C22 | H221 | 110.5° | 110.2° |
| C22 | N23 | C24 | 112.1° | 111.3° |
| N23 | C22 | H22 | 110.5° | 110.3° |
| N23 | C22 | H221 | 110.5° | 110.2° |
| C22 | N23 | HN23 | 123.9° | 124.4° |
| N23 | C24 | O26 | 125.4° | 124.9° |
| C24 | N23 | HN23 | 124.0° | 124.3° |
| O3 | C10 | C11 | 106.0° | 109.5° |
| O3 | C10 | C18 | 110.4° | 109.5° |
| O3 | C10 | C23 | 110.8° | 109.5° |
| C11 | C10 | C18 | 111.1° | 109.4° |
| C11 | C10 | C23 | 108.3° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| C18 | C10 | C23 | 110.1° | 109.5° |
| C10 | C18 | H18 | 109.5° | 109.5° |
| C10 | C18 | H182 | 109.4° | 109.5° |
| C10 | C18 | H181 | 109.5° | 109.4° |
| C10 | C23 | H232 | 109.5° | 109.5° |
| C10 | C23 | H23 | 109.5° | 109.4° |
| C10 | C23 | H231 | 109.5° | 109.5° |
| H12 | C1 | H1 | 109.4° | 109.4° |
| H11 | C11 | H111 | 109.5° | 109.5° |
| H11 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H13 | C13 | H131 | 109.5° | 110.4° |
| H18 | C18 | H182 | 109.4° | 109.5° |
| H18 | C18 | H181 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H191 | C19 | H19 | 109.5° | 109.5° |
| H211 | C21 | H21 | 109.5° | 110.9° |
| H22 | C22 | H221 | 109.5° | 110.3° |
| H232 | C23 | H23 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H23 | C23 | H231 | 109.5° | 109.5° |
| H341 | C34 | H34 | 109.5° | 110.8° |
| H81 | C8 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | C9 | 0.4° | 0.2° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| C5 | C6 | C7 | H7 | 179.6° | 179.9° |
| C7 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C7 | C9 | H7 | 180.0° | 179.9° |
| C6 | C7 | C9 | C3 | 0.3° | 0.5° |
| C7 | C6 | C5 | H5 | 179.6° | 180.0° |
| C6 | C7 | C9 | H9 | 179.6° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C9 | 0.1° | 0.3° |
| C5 | C4 | C3 | C1 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 179.6° | 179.9° |
| C4 | C3 | C9 | C7 | 0.2° | 0.6° |
| C4 | C3 | C9 | C1 | 179.9° | 179.7° |
| C4 | C3 | C1 | O11 | 167.2° | 90.1° |
| C4 | C3 | C1 | H12 | 47.3° | 150.0° |
| C4 | C3 | C1 | H1 | 73.0° | 30.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C3 | C9 | H9 | 179.8° | 179.9° |
| C7 | C9 | C3 | H9 | 180.0° | 179.5° |
| C7 | C9 | C3 | C1 | 179.7° | 179.7° |
| C9 | C7 | C6 | H6 | 179.6° | 179.8° |
| C9 | C3 | C1 | O11 | 13.0° | 90.2° |
| C9 | C3 | C1 | H12 | 132.9° | 29.7° |
| C9 | C3 | C1 | H1 | 106.9° | 149.7° |
| C9 | C3 | C4 | H4 | 179.9° | 179.8° |
| C3 | C9 | C7 | H7 | 179.6° | 179.6° |
| C3 | C1 | O11 | H12 | 119.9° | 119.9° |
| C3 | C1 | O11 | H1 | 119.9° | 120.1° |
| C3 | C1 | O11 | C12 | 80.6° | 180.0° |
| C3 | C1 | H12 | H1 | 120.4° | 120.0° |
| C1 | C3 | C4 | H4 | 0.2° | 0.1° |
| C1 | C3 | C9 | H9 | 0.3° | 0.2° |
| C1 | O11 | C12 | O33 | 0.3° | 0.1° |
| C1 | O11 | C12 | N13 | 179.2° | 180.0° |
| O11 | C1 | H12 | H1 | 120.4° | 120.0° |
| O11 | C12 | O33 | N13 | 179.5° | 179.9° |
| O11 | C12 | N13 | C14 | 172.8° | 180.0° |
| O11 | C12 | N13 | C13 | 7.3° | 0.0° |
| C12 | O11 | C1 | H12 | 39.3° | 60.0° |
| C12 | O11 | C1 | H1 | 159.5° | 60.0° |
| O33 | C12 | N13 | C14 | 7.7° | 0.0° |
| O33 | C12 | N13 | C13 | 172.2° | 179.9° |
| C12 | N13 | C14 | C13 | 179.9° | 180.0° |
| C12 | N13 | C14 | C34 | 178.2° | 178.9° |
| C12 | N13 | C14 | C15 | 63.0° | 61.6° |
| C12 | N13 | C13 | C16 | 156.9° | 155.9° |
| C12 | N13 | C13 | H13 | 38.0° | 85.3° |
| C12 | N13 | C13 | H131 | 84.3° | 37.0° |
| C12 | N13 | C14 | H14 | 60.3° | 59.5° |
| N13 | C14 | C34 | C15 | 118.3° | 119.4° |
| N13 | C14 | C34 | H14 | 118.6° | 119.5° |
| N13 | C14 | C15 | H14 | 123.7° | 121.1° |
| N13 | C14 | C34 | C16 | 20.6° | 22.2° |
| C14 | N13 | C13 | C16 | 23.0° | 24.1° |
| N13 | C14 | C15 | O38 | 42.2° | 18.1° |
| N13 | C14 | C15 | N16 | 136.7° | 161.8° |
| C14 | N13 | C13 | H13 | 141.9° | 94.7° |
| C14 | N13 | C13 | H131 | 95.8° | 143.0° |
| N13 | C14 | C34 | H341 | 98.9° | 96.2° |
| N13 | C14 | C34 | H34 | 140.2° | 140.5° |
| C13 | N13 | C14 | C34 | 1.7° | 1.1° |
| C13 | N13 | C14 | C15 | 117.1° | 118.4° |
| N13 | C13 | C16 | C34 | 34.1° | 37.0° |
| N13 | C13 | C16 | H13 | 118.9° | 118.8° |
| N13 | C13 | C16 | H131 | 118.9° | 118.9° |
| N13 | C13 | C16 | O3 | 81.2° | 81.1° |
| N13 | C13 | H13 | H131 | 123.2° | 122.4° |
| C13 | N13 | C14 | H14 | 119.6° | 120.5° |
| N13 | C13 | C16 | H16 | 154.0° | 155.1° |
| C34 | C14 | C15 | H14 | 122.9° | 121.0° |
| C14 | C34 | C16 | H341 | 119.5° | 118.3° |
| C14 | C34 | C16 | H34 | 119.5° | 118.3° |
| C14 | C34 | C16 | C13 | 34.5° | 35.5° |
| C14 | C34 | C16 | O3 | 78.8° | 82.6° |
| C34 | C14 | C15 | O38 | 71.2° | 99.7° |
| C34 | C14 | C15 | N16 | 110.0° | 80.3° |
| C14 | C34 | C16 | H16 | 154.5° | 153.6° |
| C14 | C34 | H341 | H34 | 121.5° | 123.2° |
| C15 | C14 | C34 | C16 | 138.9° | 141.6° |
| C14 | C15 | O38 | N16 | 178.7° | 180.0° |
| C14 | C15 | N16 | C17 | 177.5° | 180.0° |
| C15 | C14 | C34 | H341 | 19.4° | 23.2° |
| C15 | C14 | C34 | H34 | 101.5° | 100.0° |
| C14 | C15 | N16 | HN16 | 2.6° | 0.0° |
| C34 | C16 | C13 | O3 | 115.2° | 118.1° |
| C34 | C16 | C13 | H16 | 120.0° | 118.1° |
| C34 | C16 | O3 | H16 | 125.8° | 123.9° |
| C34 | C16 | O3 | C10 | 119.8° | 156.3° |
| C34 | C16 | C13 | H13 | 152.9° | 81.8° |
| C34 | C16 | C13 | H131 | 84.8° | 155.9° |
| C16 | C34 | C14 | H14 | 97.9° | 97.4° |
| C16 | C34 | H341 | H34 | 121.4° | 123.3° |
| C13 | C16 | O3 | H16 | 123.9° | 123.9° |
| C13 | C16 | O3 | C10 | 129.8° | 91.4° |
| C16 | C13 | H13 | H131 | 123.2° | 122.3° |
| C13 | C16 | C34 | H341 | 85.0° | 82.9° |
| C13 | C16 | C34 | H34 | 154.1° | 153.8° |
| C16 | O3 | C10 | C11 | 178.3° | 60.0° |
| C16 | O3 | C10 | C18 | 58.0° | 60.0° |
| C16 | O3 | C10 | C23 | 64.4° | 180.0° |
| O3 | C16 | C13 | H13 | 37.7° | 160.1° |
| O3 | C16 | C13 | H131 | 159.9° | 37.9° |
| O3 | C16 | C34 | H341 | 161.7° | 159.1° |
| O3 | C16 | C34 | H34 | 40.8° | 35.8° |
| O38 | C15 | N16 | C17 | 3.7° | 0.1° |
| O38 | C15 | C14 | H14 | 165.9° | 139.3° |
| O38 | C15 | N16 | HN16 | 176.3° | 180.0° |
| C15 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C15 | N16 | C17 | C8 | 113.9° | 86.3° |
| C15 | N16 | C17 | C19 | 122.4° | 153.7° |
| N16 | C15 | C14 | H14 | 12.9° | 40.7° |
| C15 | N16 | C17 | H17 | 3.7° | 33.7° |
| N16 | C17 | C8 | C19 | 120.7° | 120.0° |
| N16 | C17 | C8 | H17 | 118.3° | 120.0° |
| N16 | C17 | C19 | H17 | 119.5° | 120.0° |
| N16 | C17 | C8 | O9 | 177.0° | 65.0° |
| N16 | C17 | C19 | C20 | 58.4° | 63.3° |
| N16 | C17 | C19 | H191 | 61.5° | 56.7° |
| N16 | C17 | C19 | H19 | 178.2° | 176.7° |
| N16 | C17 | C8 | H81 | 56.7° | 55.0° |
| N16 | C17 | C8 | H8 | 62.7° | 175.0° |
| C8 | C17 | C19 | H17 | 121.1° | 120.0° |
| C17 | C8 | O9 | H81 | 120.3° | 119.9° |
| C17 | C8 | O9 | H8 | 120.3° | 120.1° |
| C8 | C17 | C19 | C20 | 177.8° | 176.6° |
| C8 | C17 | C19 | H191 | 57.9° | 63.4° |
| C8 | C17 | C19 | H19 | 62.3° | 56.7° |
| C17 | C8 | H81 | H8 | 119.1° | 120.0° |
| C8 | C17 | N16 | HN16 | 66.1° | 93.6° |
| C17 | C8 | O9 | HO9 | 180.0° | 179.9° |
| C19 | C17 | C8 | O9 | 56.3° | 55.0° |
| C17 | C19 | C20 | H191 | 119.8° | 120.0° |
| C17 | C19 | C20 | H19 | 119.9° | 120.0° |
| C17 | C19 | C20 | C21 | 70.6° | 65.4° |
| C17 | C19 | C20 | C24 | 173.7° | 179.7° |
| C17 | C19 | H191 | H19 | 120.5° | 120.0° |
| C17 | C19 | C20 | H20 | 51.5° | 57.1° |
| C19 | C17 | C8 | H81 | 64.0° | 175.0° |
| C19 | C17 | C8 | H8 | 176.6° | 65.0° |
| C19 | C17 | N16 | HN16 | 57.6° | 26.4° |
| O9 | C8 | C17 | H17 | 64.7° | 175.0° |
| O9 | C8 | H81 | H8 | 119.1° | 120.0° |
| C19 | C20 | C21 | C24 | 120.7° | 118.7° |
| C19 | C20 | C21 | H20 | 122.2° | 122.5° |
| C19 | C20 | C24 | H20 | 122.0° | 122.6° |
| C19 | C20 | C21 | C22 | 137.1° | 143.5° |
| C19 | C20 | C24 | N23 | 132.2° | 135.0° |
| C19 | C20 | C24 | O26 | 48.7° | 45.1° |
| C20 | C19 | C17 | H17 | 61.1° | 56.7° |
| C20 | C19 | H191 | H19 | 120.4° | 120.0° |
| C19 | C20 | C21 | H211 | 17.8° | 25.4° |
| C19 | C20 | C21 | H21 | 103.6° | 98.4° |
| C21 | C20 | C24 | H20 | 116.9° | 118.7° |
| C20 | C21 | C22 | H211 | 119.3° | 118.1° |
| C20 | C21 | C22 | H21 | 119.3° | 118.1° |
| C20 | C21 | C22 | N23 | 16.4° | 25.4° |
| C21 | C20 | C24 | N23 | 11.1° | 16.3° |
| C21 | C20 | C24 | O26 | 169.7° | 163.8° |
| C21 | C20 | C19 | H191 | 169.5° | 174.6° |
| C21 | C20 | C19 | H19 | 49.3° | 54.6° |
| C20 | C21 | H211 | H21 | 122.0° | 123.9° |
| C20 | C21 | C22 | H22 | 135.7° | 144.4° |
| C20 | C21 | C22 | H221 | 102.9° | 93.6° |
| C24 | C20 | C21 | C22 | 16.4° | 24.8° |
| C20 | C24 | N23 | C22 | 0.6° | 0.4° |
| C20 | C24 | N23 | O26 | 179.1° | 179.9° |
| C24 | C20 | C19 | H191 | 53.8° | 59.8° |
| C24 | C20 | C19 | H19 | 66.5° | 60.3° |
| C24 | C20 | C21 | H211 | 102.9° | 93.3° |
| C24 | C20 | C21 | H21 | 135.7° | 142.9° |
| C20 | C24 | N23 | HN23 | 179.3° | 179.5° |
| C21 | C22 | N23 | H22 | 119.3° | 119.0° |
| C21 | C22 | N23 | H221 | 119.3° | 119.0° |
| C21 | C22 | N23 | C24 | 10.2° | 17.0° |
| C22 | C21 | C20 | H20 | 100.7° | 94.0° |
| C22 | C21 | H211 | H21 | 122.0° | 123.8° |
| C21 | C22 | H22 | H221 | 122.0° | 122.0° |
| C21 | C22 | N23 | HN23 | 169.9° | 162.9° |
| C22 | N23 | C24 | HN23 | 180.0° | 179.9° |
| C22 | N23 | C24 | O26 | 179.8° | 179.5° |
| N23 | C22 | C21 | H211 | 102.9° | 92.7° |
| N23 | C22 | C21 | H21 | 135.7° | 143.5° |
| N23 | C22 | H22 | H221 | 122.0° | 122.0° |
| N23 | C24 | C20 | H20 | 105.8° | 102.4° |
| C24 | N23 | C22 | H22 | 129.5° | 136.0° |
| C24 | N23 | C22 | H221 | 109.2° | 102.0° |
| O26 | C24 | C20 | H20 | 73.4° | 77.5° |
| O26 | C24 | N23 | HN23 | 0.2° | 0.6° |
| O3 | C10 | C11 | C18 | 119.9° | 120.0° |
| O3 | C10 | C11 | C23 | 119.0° | 120.0° |
| O3 | C10 | C18 | C23 | 122.7° | 120.0° |
| O3 | C10 | C11 | H11 | 180.0° | 60.0° |
| O3 | C10 | C11 | H111 | 60.0° | 180.0° |
| O3 | C10 | C11 | H112 | 60.0° | 60.0° |
| C10 | O3 | C16 | H16 | 6.0° | 32.4° |
| O3 | C10 | C18 | H18 | 180.0° | 59.9° |
| O3 | C10 | C18 | H182 | 60.0° | 180.0° |
| O3 | C10 | C18 | H181 | 60.0° | 60.0° |
| O3 | C10 | C23 | H232 | 180.0° | 60.0° |
| O3 | C10 | C23 | H23 | 60.0° | 180.0° |
| O3 | C10 | C23 | H231 | 60.0° | 60.0° |
| C11 | C10 | C18 | C23 | 120.0° | 120.0° |
| C10 | C11 | H11 | H111 | 120.0° | 119.9° |
| C10 | C11 | H11 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | C10 | C18 | H18 | 62.7° | 60.0° |
| C11 | C10 | C18 | H182 | 177.3° | 60.1° |
| C11 | C10 | C18 | H181 | 57.3° | 180.0° |
| C11 | C10 | C23 | H232 | 64.1° | 180.0° |
| C11 | C10 | C23 | H23 | 55.9° | 60.0° |
| C11 | C10 | C23 | H231 | 175.9° | 60.0° |
| C18 | C10 | C11 | H11 | 60.1° | 180.0° |
| C18 | C10 | C11 | H111 | 59.9° | 60.0° |
| C18 | C10 | C11 | H112 | 179.9° | 60.0° |
| C10 | C18 | H18 | H182 | 120.0° | 120.1° |
| C10 | C18 | H18 | H181 | 120.0° | 120.0° |
| C10 | C18 | H182 | H181 | 120.0° | 119.9° |
| C18 | C10 | C23 | H232 | 57.5° | 60.0° |
| C18 | C10 | C23 | H23 | 177.5° | 59.9° |
| C18 | C10 | C23 | H231 | 62.5° | 180.0° |
| C23 | C10 | C11 | H11 | 61.0° | 60.0° |
| C23 | C10 | C11 | H111 | 179.0° | 60.0° |
| C23 | C10 | C11 | H112 | 59.0° | 180.0° |
| C23 | C10 | C18 | H18 | 57.3° | 179.9° |
| C23 | C10 | C18 | H182 | 62.7° | 59.9° |
| C23 | C10 | C18 | H181 | 177.3° | 60.0° |
| C10 | C23 | H232 | H23 | 120.0° | 120.0° |
| C10 | C23 | H232 | H231 | 120.0° | 120.0° |
| C10 | C23 | H23 | H231 | 120.0° | 120.1° |
| H11 | C11 | H111 | H112 | 119.9° | 120.1° |
| H13 | C13 | C16 | H16 | 87.1° | 36.3° |
| H131 | C13 | C16 | H16 | 35.1° | 86.0° |
| H14 | C14 | C34 | H341 | 142.6° | 144.3° |
| H14 | C14 | C34 | H34 | 21.6° | 21.0° |
| H16 | C16 | C34 | H341 | 35.0° | 35.3° |
| H16 | C16 | C34 | H34 | 85.9° | 88.1° |
| H17 | C17 | C19 | H191 | 179.0° | 176.7° |
| H17 | C17 | C19 | H19 | 58.8° | 63.3° |
| H17 | C17 | C8 | H81 | 175.0° | 65.0° |
| H17 | C17 | C8 | H8 | 55.6° | 54.9° |
| H17 | C17 | N16 | HN16 | 176.3° | 146.3° |
| H18 | C18 | H182 | H181 | 120.0° | 120.0° |
| H191 | C19 | C20 | H20 | 68.3° | 62.9° |
| H19 | C19 | C20 | H20 | 171.4° | 177.1° |
| H20 | C20 | C21 | H211 | 140.0° | 147.9° |
| H20 | C20 | C21 | H21 | 18.6° | 24.1° |
| H211 | C21 | C22 | H22 | 16.4° | 26.3° |
| H211 | C21 | C22 | H221 | 137.8° | 148.3° |
| H21 | C21 | C22 | H22 | 105.0° | 97.5° |
| H21 | C21 | C22 | H221 | 16.4° | 24.5° |
| H22 | C22 | N23 | HN23 | 50.5° | 43.9° |
| H221 | C22 | N23 | HN23 | 70.8° | 78.1° |
| H232 | C23 | H23 | H231 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| H7 | C7 | C9 | H9 | 0.4° | 0.1° |
| H81 | C8 | O9 | HO9 | 59.7° | 60.0° |
| H8 | C8 | O9 | HO9 | 59.7° | 60.0° |
