A1AOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C20 | sing | 1.35Å | 1.35Å | |
| C20 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C13 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | N6 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C34 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C2 | sing | 1.37Å | 1.34Å | Aromatic |
| O18 | C3 | sing | 1.35Å | 1.31Å | |
| C13 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C9 | sing | 1.47Å | 1.44Å | Aromatic |
| C37 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C9 | doub | 1.34Å | 1.46Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.47Å | |
| C3 | C5 | sing | 1.51Å | 1.51Å | |
| C3 | C1 | doub | 1.35Å | 1.36Å | |
| C17 | C7 | sing | 1.51Å | 1.52Å | |
| C17 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C22 | sing | 1.51Å | 1.50Å | |
| C35 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C5 | sing | 1.51Å | 1.51Å | |
| C15 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C5 | sing | 1.53Å | 1.51Å | |
| O19 | C16 | doub | 1.21Å | 1.21Å | |
| C5 | O8 | sing | 1.43Å | 1.44Å | |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C33 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.41Å | 1.43Å | |
| C26 | C22 | sing | 1.53Å | 1.57Å | |
| C26 | N21 | sing | 1.46Å | 1.46Å | |
| C16 | N21 | sing | 1.35Å | 1.33Å | |
| C16 | C27 | sing | 1.51Å | 1.50Å | |
| O8 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | O14 | doub | 1.22Å | 1.21Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O18 | H1 | sing | 0.97Å | 0.95Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H324 | sing | 1.09Å | 1.10Å | |
| C24 | H124 | sing | 1.09Å | 1.10Å | |
| C24 | H224 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H122 | sing | 1.09Å | 1.10Å | |
| C26 | H226 | sing | 1.09Å | 1.10Å | |
| C26 | H126 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C27 | H127 | sing | 1.09Å | 1.10Å | |
| C27 | H227 | sing | 1.09Å | 1.10Å | |
| C27 | H327 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C20 | C12 | 117.9° | 119.7° |
| F25 | C20 | C23 | 121.3° | 119.7° |
| C12 | C20 | C23 | 120.9° | 120.6° |
| C20 | C12 | C10 | 119.0° | 119.7° |
| C20 | C12 | H12 | 120.5° | 120.1° |
| C20 | C23 | C13 | 121.1° | 120.5° |
| C20 | C23 | H23 | 119.5° | 119.7° |
| C12 | C10 | N6 | 130.5° | 133.4° |
| C12 | C10 | C11 | 119.5° | 119.4° |
| C10 | C12 | H12 | 120.5° | 120.1° |
| C23 | C13 | C11 | 117.0° | 119.8° |
| C23 | C13 | H13 | 121.5° | 120.1° |
| C13 | C23 | H23 | 119.4° | 119.8° |
| N6 | C10 | C11 | 110.0° | 107.2° |
| C10 | N6 | C2 | 110.7° | 109.9° |
| C10 | N6 | HN6 | 124.6° | 125.1° |
| C10 | C11 | C13 | 122.5° | 120.0° |
| C10 | C11 | C9 | 106.0° | 106.0° |
| C31 | C34 | C37 | 120.1° | 120.0° |
| C34 | C31 | C17 | 120.7° | 120.0° |
| C31 | C34 | H34 | 120.0° | 120.0° |
| C34 | C31 | H31 | 119.6° | 120.0° |
| C34 | C37 | C35 | 119.6° | 120.0° |
| C34 | C37 | H37 | 120.2° | 120.0° |
| C37 | C34 | H34 | 119.9° | 120.0° |
| N6 | C2 | C9 | 108.0° | 109.9° |
| N6 | C2 | C7 | 127.0° | 125.1° |
| C2 | N6 | HN6 | 124.7° | 125.1° |
| O18 | C3 | C5 | 121.5° | 126.9° |
| O18 | C3 | C1 | 128.3° | 126.9° |
| C3 | O18 | H1 | 109.5° | 117.0° |
| C13 | C11 | C9 | 131.6° | 134.0° |
| C11 | C13 | H13 | 121.5° | 120.1° |
| C31 | C17 | C7 | 123.8° | 120.0° |
| C31 | C17 | C30 | 117.9° | 120.0° |
| C17 | C31 | H31 | 119.6° | 120.0° |
| C29 | C32 | C36 | 119.6° | 120.0° |
| C32 | C29 | C15 | 121.6° | 120.0° |
| C29 | C32 | H32 | 120.2° | 120.0° |
| C32 | C29 | H29 | 119.2° | 120.0° |
| C32 | C36 | C33 | 118.7° | 120.0° |
| C32 | C36 | H36 | 120.6° | 120.0° |
| C36 | C32 | H32 | 120.2° | 120.0° |
| C11 | C9 | C2 | 105.3° | 107.0° |
| C11 | C9 | C22 | 126.7° | 126.5° |
| C37 | C35 | C30 | 120.4° | 120.0° |
| C37 | C35 | H35 | 119.8° | 120.0° |
| C35 | C37 | H37 | 120.2° | 120.0° |
| C29 | C15 | C5 | 119.7° | 120.0° |
| C29 | C15 | C28 | 117.9° | 120.0° |
| C15 | C29 | H29 | 119.2° | 120.0° |
| C36 | C33 | C28 | 121.4° | 120.0° |
| C36 | C33 | H33 | 119.3° | 120.0° |
| C33 | C36 | H36 | 120.6° | 120.0° |
| C9 | C2 | C7 | 125.0° | 125.0° |
| C2 | C9 | C22 | 128.1° | 126.5° |
| C2 | C7 | C17 | 111.1° | 109.4° |
| C2 | C7 | C1 | 113.5° | 109.5° |
| C2 | C7 | H7 | 107.5° | 109.5° |
| C5 | C3 | C1 | 110.2° | 106.2° |
| C3 | C5 | C15 | 108.4° | 110.3° |
| C3 | C5 | C24 | 114.3° | 110.3° |
| C3 | C5 | O8 | 101.8° | 105.4° |
| C3 | C1 | C7 | 130.8° | 125.2° |
| C3 | C1 | C4 | 107.1° | 109.7° |
| C7 | C17 | C30 | 118.4° | 120.0° |
| C17 | C7 | C1 | 110.3° | 109.4° |
| C17 | C7 | H7 | 106.9° | 109.5° |
| C17 | C30 | C35 | 121.3° | 120.0° |
| C17 | C30 | H30 | 119.4° | 120.0° |
| C9 | C22 | C26 | 107.3° | 109.5° |
| C9 | C22 | H222 | 110.0° | 109.5° |
| C9 | C22 | H122 | 110.0° | 109.5° |
| C35 | C30 | H30 | 119.4° | 120.0° |
| C30 | C35 | H35 | 119.8° | 120.0° |
| C5 | C15 | C28 | 122.5° | 120.0° |
| C15 | C5 | C24 | 114.4° | 110.3° |
| C15 | C5 | O8 | 111.9° | 110.2° |
| C15 | C28 | C33 | 120.7° | 120.0° |
| C15 | C28 | H28 | 119.7° | 120.0° |
| C24 | C5 | O8 | 105.3° | 110.3° |
| C5 | C24 | H324 | 109.5° | 109.4° |
| C5 | C24 | H124 | 109.5° | 109.5° |
| C5 | C24 | H224 | 109.5° | 109.4° |
| O19 | C16 | N21 | 123.2° | 120.0° |
| O19 | C16 | C27 | 120.5° | 120.0° |
| C5 | O8 | C4 | 110.9° | 107.9° |
| C7 | C1 | C4 | 122.1° | 125.2° |
| C1 | C7 | H7 | 107.2° | 109.5° |
| C33 | C28 | H28 | 119.6° | 120.0° |
| C28 | C33 | H33 | 119.3° | 120.0° |
| C1 | C4 | O8 | 110.1° | 110.9° |
| C1 | C4 | O14 | 128.8° | 124.6° |
| C22 | C26 | N21 | 114.2° | 109.5° |
| C26 | C22 | H222 | 110.0° | 109.5° |
| C26 | C22 | H122 | 110.0° | 109.4° |
| C22 | C26 | H226 | 108.3° | 109.5° |
| C22 | C26 | H126 | 108.3° | 109.5° |
| C26 | N21 | C16 | 122.7° | 120.0° |
| N21 | C26 | H226 | 108.3° | 109.5° |
| N21 | C26 | H126 | 108.3° | 109.5° |
| C26 | N21 | H21 | 118.7° | 120.0° |
| N21 | C16 | C27 | 116.3° | 120.0° |
| C16 | N21 | H21 | 118.6° | 120.0° |
| C16 | C27 | H127 | 109.5° | 109.5° |
| C16 | C27 | H227 | 109.4° | 109.5° |
| C16 | C27 | H327 | 109.5° | 109.4° |
| O8 | C4 | O14 | 121.1° | 124.6° |
| H324 | C24 | H124 | 109.5° | 109.5° |
| H324 | C24 | H224 | 109.5° | 109.5° |
| H124 | C24 | H224 | 109.5° | 109.5° |
| H222 | C22 | H122 | 109.5° | 109.5° |
| H226 | C26 | H126 | 109.4° | 109.4° |
| H127 | C27 | H227 | 109.5° | 109.5° |
| H127 | C27 | H327 | 109.5° | 109.5° |
| H227 | C27 | H327 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C20 | C12 | C23 | 179.5° | 179.9° |
| F25 | C20 | C12 | C10 | 177.3° | 180.0° |
| F25 | C20 | C23 | C13 | 179.7° | 180.0° |
| F25 | C20 | C12 | H12 | 2.7° | 0.1° |
| F25 | C20 | C23 | H23 | 0.3° | 0.1° |
| C20 | C12 | C10 | H12 | 180.0° | 179.9° |
| C12 | C20 | C23 | C13 | 0.2° | 0.1° |
| C20 | C12 | C10 | N6 | 179.3° | 180.0° |
| C20 | C12 | C10 | C11 | 2.3° | 0.1° |
| C12 | C20 | C23 | H23 | 179.8° | 180.0° |
| C23 | C20 | C12 | C10 | 2.2° | 0.1° |
| C20 | C23 | C13 | H23 | 180.0° | 179.9° |
| C20 | C23 | C13 | C11 | 2.4° | 0.1° |
| C23 | C20 | C12 | H12 | 177.8° | 180.0° |
| C20 | C23 | C13 | H13 | 177.6° | 180.0° |
| C12 | C10 | N6 | C11 | 178.5° | 179.9° |
| C12 | C10 | N6 | C2 | 179.2° | 180.0° |
| C12 | C10 | C11 | C13 | 0.0° | 0.1° |
| C12 | C10 | C11 | C9 | 179.5° | 180.0° |
| C12 | C10 | N6 | HN6 | 0.8° | 0.0° |
| C23 | C13 | C11 | C10 | 2.3° | 0.1° |
| C23 | C13 | C11 | H13 | 180.0° | 179.9° |
| C23 | C13 | C11 | C9 | 178.3° | 180.0° |
| C10 | N6 | C2 | HN6 | 180.0° | 180.0° |
| N6 | C10 | C11 | C13 | 178.8° | 180.0° |
| N6 | C10 | C11 | C9 | 0.8° | 0.1° |
| C10 | N6 | C2 | C9 | 0.2° | 0.0° |
| C10 | N6 | C2 | C7 | 177.9° | 179.7° |
| N6 | C10 | C12 | H12 | 0.7° | 0.1° |
| C11 | C10 | N6 | C2 | 0.6° | 0.0° |
| C10 | C11 | C13 | C9 | 179.4° | 179.9° |
| C10 | C11 | C9 | C2 | 0.7° | 0.1° |
| C10 | C11 | C9 | C22 | 179.3° | 179.7° |
| C11 | C10 | C12 | H12 | 177.7° | 180.0° |
| C10 | C11 | C13 | H13 | 177.7° | 180.0° |
| C11 | C10 | N6 | HN6 | 179.4° | 179.9° |
| C31 | C34 | C37 | H34 | 180.0° | 179.4° |
| C34 | C31 | C17 | H31 | 180.0° | 179.4° |
| C31 | C34 | C37 | C35 | 1.1° | 0.2° |
| C34 | C31 | C17 | C7 | 178.5° | 179.7° |
| C34 | C31 | C17 | C30 | 1.6° | 0.6° |
| C31 | C34 | C37 | H37 | 178.9° | 179.7° |
| C37 | C34 | C31 | C17 | 1.4° | 0.6° |
| C34 | C37 | C35 | H37 | 180.0° | 180.0° |
| C34 | C37 | C35 | C30 | 1.1° | 0.0° |
| C34 | C37 | C35 | H35 | 178.9° | 180.0° |
| C37 | C34 | C31 | H31 | 178.6° | 180.0° |
| N6 | C2 | C9 | C11 | 0.3° | 0.0° |
| N6 | C2 | C9 | C7 | 178.2° | 179.7° |
| N6 | C2 | C7 | C17 | 72.9° | 60.3° |
| N6 | C2 | C9 | C22 | 179.6° | 179.7° |
| N6 | C2 | C7 | C1 | 52.2° | 59.7° |
| N6 | C2 | C7 | H7 | 170.4° | 179.7° |
| O18 | C3 | C5 | C1 | 178.6° | 180.0° |
| O18 | C3 | C5 | C15 | 63.1° | 61.0° |
| O18 | C3 | C5 | C24 | 65.8° | 61.0° |
| O18 | C3 | C5 | O8 | 178.8° | 180.0° |
| O18 | C3 | C1 | C7 | 4.0° | 0.3° |
| O18 | C3 | C1 | C4 | 179.4° | 180.0° |
| C13 | C11 | C9 | C2 | 178.8° | 179.9° |
| C13 | C11 | C9 | C22 | 1.2° | 0.2° |
| C11 | C13 | C23 | H23 | 177.6° | 180.0° |
| C31 | C17 | C7 | C2 | 1.1° | 43.3° |
| C31 | C17 | C7 | C30 | 179.9° | 179.7° |
| C31 | C17 | C30 | C35 | 1.7° | 0.4° |
| C31 | C17 | C7 | C1 | 127.9° | 76.7° |
| C31 | C17 | C7 | H7 | 115.9° | 163.3° |
| C31 | C17 | C30 | H30 | 178.3° | 179.7° |
| C17 | C31 | C34 | H34 | 178.6° | 180.0° |
| C29 | C32 | C36 | H32 | 180.0° | 179.4° |
| C32 | C29 | C15 | H29 | 180.0° | 179.5° |
| C29 | C32 | C36 | C33 | 1.6° | 0.3° |
| C32 | C29 | C15 | C5 | 178.7° | 179.7° |
| C32 | C29 | C15 | C28 | 0.7° | 0.5° |
| C29 | C32 | C36 | H36 | 178.4° | 179.8° |
| C36 | C32 | C29 | C15 | 1.7° | 0.6° |
| C32 | C36 | C33 | H36 | 180.0° | 179.9° |
| C32 | C36 | C33 | C28 | 0.5° | 0.1° |
| C32 | C36 | C33 | H33 | 179.5° | 180.0° |
| C36 | C32 | C29 | H29 | 178.3° | 180.0° |
| C11 | C9 | C2 | C22 | 179.9° | 179.8° |
| C11 | C9 | C2 | C7 | 178.5° | 179.8° |
| C11 | C9 | C22 | C26 | 93.8° | 90.3° |
| C9 | C11 | C13 | H13 | 1.8° | 0.1° |
| C11 | C9 | C22 | H222 | 25.8° | 29.7° |
| C11 | C9 | C22 | H122 | 146.5° | 149.7° |
| C37 | C35 | C30 | C17 | 1.5° | 0.0° |
| C37 | C35 | C30 | H35 | 180.0° | 180.0° |
| C37 | C35 | C30 | H30 | 178.6° | 179.9° |
| C35 | C37 | C34 | H34 | 178.9° | 179.7° |
| C29 | C15 | C5 | C3 | 95.9° | 30.3° |
| C29 | C15 | C5 | C28 | 179.3° | 179.7° |
| C29 | C15 | C5 | C24 | 32.9° | 91.7° |
| C29 | C15 | C5 | O8 | 152.6° | 146.2° |
| C29 | C15 | C28 | C33 | 0.4° | 0.3° |
| C29 | C15 | C28 | H28 | 179.6° | 179.7° |
| C15 | C29 | C32 | H32 | 178.3° | 180.0° |
| C36 | C33 | C28 | C15 | 0.4° | 0.0° |
| C36 | C33 | C28 | H33 | 180.0° | 179.9° |
| C36 | C33 | C28 | H28 | 179.6° | 180.0° |
| C33 | C36 | C32 | H32 | 178.4° | 179.7° |
| C9 | C2 | C7 | C17 | 104.9° | 120.0° |
| C9 | C2 | C7 | C1 | 130.0° | 120.0° |
| C2 | C9 | C22 | C26 | 86.1° | 90.0° |
| C9 | C2 | C7 | H7 | 11.7° | 0.0° |
| C9 | C2 | N6 | HN6 | 179.8° | 180.0° |
| C2 | C9 | C22 | H222 | 154.3° | 150.0° |
| C2 | C9 | C22 | H122 | 33.6° | 30.0° |
| C2 | C7 | C1 | C3 | 61.3° | 114.1° |
| C2 | C7 | C17 | C1 | 126.8° | 120.0° |
| C2 | C7 | C17 | H7 | 117.0° | 120.0° |
| C2 | C7 | C17 | C30 | 178.7° | 137.0° |
| C7 | C2 | C9 | C22 | 1.4° | 0.0° |
| C2 | C7 | C1 | H7 | 118.5° | 120.1° |
| C2 | C7 | C1 | C4 | 122.5° | 65.6° |
| C7 | C2 | N6 | HN6 | 2.0° | 0.3° |
| C3 | C5 | C15 | C24 | 128.9° | 122.0° |
| C3 | C5 | C15 | O8 | 111.4° | 115.9° |
| C3 | C5 | C15 | C28 | 83.4° | 150.0° |
| C3 | C5 | C24 | O8 | 110.8° | 116.0° |
| C5 | C3 | C1 | C7 | 174.5° | 179.7° |
| C5 | C3 | C1 | C4 | 2.1° | 0.0° |
| C3 | C5 | O8 | C4 | 2.1° | 0.1° |
| C5 | C3 | O18 | H1 | 180.0° | 179.9° |
| C3 | C5 | C24 | H324 | 180.0° | 60.0° |
| C3 | C5 | C24 | H124 | 60.0° | 180.0° |
| C3 | C5 | C24 | H224 | 60.0° | 60.0° |
| C3 | C1 | C7 | C17 | 64.2° | 126.0° |
| C1 | C3 | C5 | C15 | 115.5° | 119.0° |
| C1 | C3 | C5 | C24 | 115.6° | 119.0° |
| C1 | C3 | C5 | O8 | 2.6° | 0.1° |
| C3 | C1 | C7 | C4 | 176.2° | 179.6° |
| C3 | C1 | C4 | O8 | 0.8° | 0.0° |
| C3 | C1 | C4 | O14 | 179.6° | 179.9° |
| C1 | C3 | O18 | H1 | 1.7° | 0.0° |
| C3 | C1 | C7 | H7 | 179.7° | 6.0° |
| C7 | C17 | C30 | C35 | 178.4° | 180.0° |
| C17 | C7 | C1 | H7 | 116.1° | 120.0° |
| C17 | C7 | C1 | C4 | 112.0° | 54.4° |
| C7 | C17 | C30 | H30 | 1.5° | 0.1° |
| C7 | C17 | C31 | H31 | 1.5° | 0.3° |
| C17 | C30 | C35 | H30 | 180.0° | 179.9° |
| C30 | C17 | C7 | C1 | 51.9° | 103.0° |
| C30 | C17 | C7 | H7 | 64.3° | 17.0° |
| C17 | C30 | C35 | H35 | 178.5° | 179.9° |
| C30 | C17 | C31 | H31 | 178.4° | 180.0° |
| C9 | C22 | C26 | H222 | 119.6° | 120.0° |
| C9 | C22 | C26 | H122 | 119.7° | 120.0° |
| C9 | C22 | C26 | N21 | 102.5° | 180.0° |
| C9 | C22 | H222 | H122 | 121.0° | 120.0° |
| C9 | C22 | C26 | H226 | 18.2° | 60.0° |
| C9 | C22 | C26 | H126 | 136.8° | 60.0° |
| C30 | C35 | C37 | H37 | 178.8° | 180.0° |
| C15 | C5 | C24 | O8 | 123.3° | 122.0° |
| C5 | C15 | C28 | C33 | 179.7° | 180.0° |
| C15 | C5 | O8 | C4 | 113.4° | 119.0° |
| C15 | C5 | C24 | H324 | 54.1° | 62.0° |
| C15 | C5 | C24 | H124 | 174.1° | 58.0° |
| C15 | C5 | C24 | H224 | 65.8° | 178.0° |
| C5 | C15 | C28 | H28 | 0.3° | 0.0° |
| C5 | C15 | C29 | H29 | 1.3° | 0.2° |
| C28 | C15 | C5 | C24 | 147.7° | 88.0° |
| C28 | C15 | C5 | O8 | 28.1° | 34.1° |
| C15 | C28 | C33 | H28 | 180.0° | 180.0° |
| C15 | C28 | C33 | H33 | 179.6° | 180.0° |
| C28 | C15 | C29 | H29 | 179.3° | 180.0° |
| C24 | C5 | O8 | C4 | 121.7° | 118.9° |
| C5 | C24 | H324 | H124 | 120.0° | 120.0° |
| C5 | C24 | H324 | H224 | 120.0° | 120.0° |
| C5 | C24 | H124 | H224 | 120.0° | 120.0° |
| O19 | C16 | N21 | C26 | 0.8° | 0.1° |
| O19 | C16 | N21 | C27 | 179.5° | 180.0° |
| O19 | C16 | N21 | H21 | 179.2° | 180.0° |
| O19 | C16 | C27 | H127 | 0.0° | 0.0° |
| O19 | C16 | C27 | H227 | 120.0° | 120.0° |
| O19 | C16 | C27 | H327 | 120.0° | 120.0° |
| C5 | O8 | C4 | C1 | 1.0° | 0.0° |
| C5 | O8 | C4 | O14 | 178.7° | 180.0° |
| O8 | C5 | C24 | H324 | 69.2° | 176.0° |
| O8 | C5 | C24 | H124 | 50.8° | 64.0° |
| O8 | C5 | C24 | H224 | 170.8° | 55.9° |
| C7 | C1 | C4 | O8 | 176.2° | 179.7° |
| C7 | C1 | C4 | O14 | 3.5° | 0.2° |
| C28 | C33 | C36 | H36 | 179.4° | 180.0° |
| C1 | C4 | O8 | O14 | 179.7° | 179.9° |
| C4 | C1 | C7 | H7 | 4.1° | 174.4° |
| C22 | C26 | N21 | H226 | 120.7° | 120.0° |
| C22 | C26 | N21 | H126 | 120.7° | 120.0° |
| C22 | C26 | N21 | C16 | 157.7° | 180.0° |
| C26 | C22 | H222 | H122 | 121.0° | 120.0° |
| C22 | C26 | H226 | H126 | 117.8° | 120.0° |
| C22 | C26 | N21 | H21 | 22.3° | 0.0° |
| C26 | N21 | C16 | H21 | 180.0° | 180.0° |
| C26 | N21 | C16 | C27 | 179.7° | 180.0° |
| N21 | C26 | C22 | H222 | 137.8° | 60.0° |
| N21 | C26 | C22 | H122 | 17.1° | 60.0° |
| N21 | C26 | H226 | H126 | 117.8° | 120.0° |
| C16 | N21 | C26 | H226 | 37.0° | 60.0° |
| C16 | N21 | C26 | H126 | 81.6° | 60.0° |
| N21 | C16 | C27 | H127 | 179.5° | 180.0° |
| N21 | C16 | C27 | H227 | 59.5° | 60.0° |
| N21 | C16 | C27 | H327 | 60.5° | 60.0° |
| C27 | C16 | N21 | H21 | 0.2° | 0.0° |
| C16 | C27 | H127 | H227 | 120.0° | 120.0° |
| C16 | C27 | H127 | H327 | 120.0° | 119.9° |
| C16 | C27 | H227 | H327 | 120.0° | 119.9° |
| H13 | C13 | C23 | H23 | 2.4° | 0.1° |
| H324 | C24 | H124 | H224 | 120.0° | 120.1° |
| H28 | C28 | C33 | H33 | 0.4° | 0.0° |
| H33 | C33 | C36 | H36 | 0.5° | 0.1° |
| H36 | C36 | C32 | H32 | 1.6° | 0.4° |
| H32 | C32 | C29 | H29 | 1.7° | 0.6° |
| H30 | C30 | C35 | H35 | 1.5° | 0.0° |
| H35 | C35 | C37 | H37 | 1.2° | 0.0° |
| H37 | C37 | C34 | H34 | 1.1° | 0.3° |
| H34 | C34 | C31 | H31 | 1.4° | 0.6° |
| H222 | C22 | C26 | H226 | 101.5° | 180.0° |
| H222 | C22 | C26 | H126 | 17.1° | 60.1° |
| H122 | C22 | C26 | H226 | 137.8° | 60.0° |
| H122 | C22 | C26 | H126 | 103.6° | 179.9° |
| H226 | C26 | N21 | H21 | 143.0° | 120.0° |
| H126 | C26 | N21 | H21 | 98.4° | 120.0° |
| H127 | C27 | H227 | H327 | 120.0° | 120.1° |
