A1JMR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.33Å | |
| C2 | F3 | sing | 1.40Å | 1.33Å | |
| C2 | F4 | sing | 1.40Å | 1.33Å | |
| C2 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N12 | sing | 1.39Å | 1.37Å | |
| N12 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | N16 | sing | 1.47Å | 1.50Å | |
| N16 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N16 | C19 | sing | 1.47Å | 1.49Å | |
| C14 | F20 | sing | 1.40Å | 1.41Å | |
| C11 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.46Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | trip | 1.17Å | 1.19Å | |
| C25 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | N27 | sing | 1.47Å | 1.46Å | |
| N27 | C28 | sing | 1.39Å | 1.38Å | |
| C28 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C34 | sing | 1.47Å | 1.50Å | |
| C34 | N35 | sing | 1.35Å | 1.33Å | |
| N35 | C36 | sing | 1.47Å | 1.45Å | |
| C34 | O37 | doub | 1.22Å | 1.23Å | |
| C29 | O38 | sing | 1.36Å | 1.36Å | |
| O38 | C39 | sing | 1.43Å | 1.43Å | |
| C23 | N6 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| C33 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36C | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| N35 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | F3 | 106.5° | 109.5° |
| F1 | C2 | F4 | 107.1° | 109.5° |
| F1 | C2 | C5 | 111.8° | 109.5° |
| F3 | C2 | F4 | 106.6° | 109.5° |
| F3 | C2 | C5 | 112.6° | 109.5° |
| F4 | C2 | C5 | 112.0° | 109.4° |
| C2 | C5 | N6 | 112.0° | 109.4° |
| C2 | C5 | H5A | 108.8° | 109.5° |
| C2 | C5 | H5B | 108.8° | 109.5° |
| C5 | N6 | C7 | 125.2° | 125.1° |
| C5 | N6 | C23 | 126.7° | 125.1° |
| N6 | C5 | H5A | 108.9° | 109.5° |
| N6 | C5 | H5B | 108.8° | 109.4° |
| N6 | C7 | C8 | 129.4° | 133.1° |
| C7 | N6 | C23 | 108.1° | 109.8° |
| N6 | C7 | C21 | 108.7° | 107.5° |
| C7 | C8 | C9 | 118.1° | 120.1° |
| C8 | C7 | C21 | 121.9° | 119.5° |
| C7 | C8 | H8 | 120.9° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.7° |
| C9 | C8 | H8 | 120.9° | 119.9° |
| C8 | C9 | H9 | 119.4° | 119.6° |
| C9 | C10 | C11 | 120.7° | 120.4° |
| C9 | C10 | H10 | 119.6° | 119.8° |
| C10 | C9 | H9 | 119.4° | 119.6° |
| C10 | C11 | N12 | 121.4° | 120.3° |
| C10 | C11 | C21 | 118.9° | 119.5° |
| C11 | C10 | H10 | 119.7° | 119.8° |
| C11 | N12 | C13 | 126.2° | 120.0° |
| N12 | C11 | C21 | 119.7° | 120.2° |
| C11 | N12 | H12 | 105.1° | 120.0° |
| N12 | C13 | C14 | 112.6° | 109.5° |
| N12 | C13 | C18 | 109.7° | 109.6° |
| C13 | N12 | H12 | 105.2° | 120.0° |
| N12 | C13 | H13 | 108.8° | 109.5° |
| C13 | C14 | C15 | 111.8° | 109.3° |
| C13 | C14 | F20 | 108.5° | 109.5° |
| C14 | C13 | C18 | 110.1° | 109.2° |
| C14 | C13 | H13 | 107.8° | 109.5° |
| C13 | C14 | H14 | 108.8° | 109.5° |
| C14 | C15 | N16 | 111.1° | 109.5° |
| C15 | C14 | F20 | 108.6° | 109.5° |
| C14 | C15 | H15A | 109.1° | 109.4° |
| C14 | C15 | H15B | 109.1° | 109.5° |
| C15 | C14 | H14 | 108.8° | 109.5° |
| C15 | N16 | C17 | 110.3° | 111.2° |
| C15 | N16 | C19 | 110.9° | 111.0° |
| N16 | C15 | H15A | 109.1° | 109.4° |
| N16 | C15 | H15B | 109.1° | 109.5° |
| N16 | C17 | C18 | 109.9° | 109.5° |
| C17 | N16 | C19 | 111.5° | 111.0° |
| N16 | C17 | H17A | 109.4° | 109.5° |
| N16 | C17 | H17B | 109.4° | 109.5° |
| C17 | C18 | C13 | 111.1° | 109.3° |
| C18 | C17 | H17A | 109.4° | 109.5° |
| C18 | C17 | H17B | 109.4° | 109.5° |
| C17 | C18 | H18A | 109.0° | 109.5° |
| C17 | C18 | H18B | 109.1° | 109.5° |
| N16 | C19 | H19A | 109.5° | 109.4° |
| N16 | C19 | H19B | 109.4° | 109.5° |
| N16 | C19 | H19C | 109.5° | 109.5° |
| F20 | C14 | H14 | 110.3° | 109.5° |
| C11 | C21 | C22 | 134.5° | 133.7° |
| C11 | C21 | C7 | 119.2° | 119.8° |
| C21 | C22 | C23 | 107.6° | 106.9° |
| C22 | C21 | C7 | 106.3° | 106.4° |
| C21 | C22 | H22 | 126.2° | 126.6° |
| C22 | C23 | C24 | 124.4° | 125.3° |
| C22 | C23 | N6 | 109.3° | 109.4° |
| C23 | C22 | H22 | 126.2° | 126.5° |
| C23 | C24 | C25 | 176.5° | 179.9° |
| C24 | C23 | N6 | 126.2° | 125.3° |
| C24 | C25 | C26 | 176.8° | 180.0° |
| C25 | C26 | N27 | 113.1° | 109.4° |
| C25 | C26 | H26A | 108.6° | 109.5° |
| C25 | C26 | H26B | 108.6° | 109.5° |
| C26 | N27 | C28 | 123.4° | 120.0° |
| N27 | C26 | H26A | 108.5° | 109.5° |
| N27 | C26 | H26B | 108.6° | 109.5° |
| C26 | N27 | H27 | 105.9° | 120.0° |
| N27 | C28 | C29 | 118.7° | 119.9° |
| N27 | C28 | C33 | 122.4° | 120.0° |
| C28 | N27 | H27 | 105.9° | 120.0° |
| C28 | C29 | C30 | 121.0° | 119.9° |
| C28 | C29 | O38 | 114.6° | 120.0° |
| C29 | C28 | C33 | 119.0° | 120.1° |
| C29 | C30 | C31 | 119.7° | 119.9° |
| C30 | C29 | O38 | 124.4° | 120.0° |
| C29 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | C32 | 119.5° | 119.8° |
| C30 | C31 | C34 | 119.7° | 120.1° |
| C31 | C30 | H30 | 120.1° | 120.1° |
| C31 | C32 | C33 | 120.8° | 120.0° |
| C32 | C31 | C34 | 120.8° | 120.1° |
| C31 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | C28 | 120.0° | 120.1° |
| C33 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | H33 | 120.0° | 119.9° |
| C31 | C34 | N35 | 117.0° | 120.0° |
| C31 | C34 | O37 | 120.8° | 120.0° |
| C34 | N35 | C36 | 121.9° | 120.0° |
| N35 | C34 | O37 | 122.2° | 120.0° |
| C34 | N35 | H35 | 119.0° | 120.0° |
| N35 | C36 | H36A | 109.5° | 109.5° |
| N35 | C36 | H36B | 109.4° | 109.5° |
| N35 | C36 | H36C | 109.5° | 109.4° |
| C36 | N35 | H35 | 119.0° | 120.0° |
| C29 | O38 | C39 | 117.4° | 117.0° |
| O38 | C39 | H39A | 109.5° | 109.5° |
| O38 | C39 | H39B | 109.5° | 109.5° |
| O38 | C39 | H39C | 109.4° | 109.5° |
| C18 | C13 | H13 | 107.7° | 109.6° |
| C13 | C18 | H18A | 109.1° | 109.5° |
| C13 | C18 | H18B | 109.1° | 109.5° |
| C28 | C33 | H33 | 120.0° | 120.0° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19C | 109.4° | 109.4° |
| H19B | C19 | H19C | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36C | 109.4° | 109.5° |
| H36B | C36 | H36C | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.4° |
| H39A | C39 | H39C | 109.5° | 109.4° |
| H39B | C39 | H39C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | F3 | F4 | 114.1° | 120.0° |
| F1 | C2 | F3 | C5 | 122.8° | 120.0° |
| F1 | C2 | F4 | C5 | 122.9° | 120.0° |
| F1 | C2 | C5 | N6 | 57.2° | 60.1° |
| F1 | C2 | C5 | H5A | 63.2° | 59.9° |
| F1 | C2 | C5 | H5B | 177.5° | 180.0° |
| F3 | C2 | F4 | C5 | 123.5° | 120.0° |
| F3 | C2 | C5 | N6 | 62.6° | 60.0° |
| F3 | C2 | C5 | H5A | 177.0° | 180.0° |
| F3 | C2 | C5 | H5B | 57.8° | 59.9° |
| F4 | C2 | C5 | N6 | 177.3° | 180.0° |
| F4 | C2 | C5 | H5A | 56.9° | 60.0° |
| F4 | C2 | C5 | H5B | 62.3° | 60.1° |
| C2 | C5 | N6 | H5A | 120.4° | 120.0° |
| C2 | C5 | N6 | H5B | 120.4° | 120.0° |
| C2 | C5 | N6 | C7 | 85.2° | 89.5° |
| C2 | C5 | N6 | C23 | 94.7° | 90.0° |
| C2 | C5 | H5A | H5B | 118.8° | 120.1° |
| C5 | N6 | C7 | C23 | 179.9° | 179.6° |
| C5 | N6 | C7 | C8 | 0.7° | 0.3° |
| C5 | N6 | C23 | C22 | 180.0° | 180.0° |
| C5 | N6 | C23 | C24 | 1.9° | 0.3° |
| C5 | N6 | C7 | C21 | 180.0° | 180.0° |
| N6 | C5 | H5A | H5B | 118.9° | 120.0° |
| N6 | C7 | C8 | C21 | 179.2° | 179.7° |
| N6 | C7 | C8 | C9 | 179.4° | 179.6° |
| N6 | C7 | C21 | C11 | 179.6° | 179.7° |
| N6 | C7 | C21 | C22 | 0.0° | 0.3° |
| C7 | N6 | C23 | C22 | 0.1° | 0.5° |
| C7 | N6 | C23 | C24 | 178.0° | 179.9° |
| C7 | N6 | C5 | H5A | 154.5° | 150.4° |
| C7 | N6 | C5 | H5B | 35.2° | 30.4° |
| N6 | C7 | C8 | H8 | 0.6° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C21 | C11 | 0.2° | 0.0° |
| C8 | C7 | C21 | C22 | 179.3° | 180.0° |
| C8 | C7 | N6 | C23 | 179.2° | 179.8° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C7 | C21 | 0.2° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | N12 | 179.8° | 180.0° |
| C9 | C10 | C11 | C21 | 0.1° | 0.0° |
| C10 | C9 | C8 | H8 | 179.8° | 179.9° |
| C10 | C11 | N12 | C21 | 180.0° | 180.0° |
| C10 | C11 | N12 | C13 | 11.5° | 0.1° |
| C10 | C11 | C21 | C22 | 179.2° | 180.0° |
| C10 | C11 | C21 | C7 | 0.2° | 0.0° |
| C10 | C11 | N12 | H12 | 133.8° | 180.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C11 | N12 | C13 | H12 | 122.3° | 179.9° |
| C11 | N12 | C13 | C14 | 67.5° | 155.0° |
| N12 | C11 | C21 | C22 | 0.8° | 0.0° |
| N12 | C11 | C21 | C7 | 179.8° | 179.9° |
| C11 | N12 | C13 | C18 | 169.5° | 85.3° |
| N12 | C11 | C10 | H10 | 0.1° | 0.1° |
| C11 | N12 | C13 | H13 | 51.9° | 35.0° |
| N12 | C13 | C14 | C18 | 122.7° | 119.9° |
| N12 | C13 | C14 | H13 | 120.0° | 120.0° |
| N12 | C13 | C14 | C15 | 176.0° | 177.6° |
| N12 | C13 | C18 | C17 | 179.0° | 177.6° |
| N12 | C13 | C14 | F20 | 56.3° | 57.7° |
| C13 | N12 | C11 | C21 | 168.5° | 180.0° |
| N12 | C13 | C18 | H13 | 118.3° | 120.2° |
| N12 | C13 | C14 | H14 | 63.8° | 62.5° |
| N12 | C13 | C18 | H18A | 60.8° | 57.6° |
| N12 | C13 | C18 | H18B | 58.8° | 62.5° |
| C13 | C14 | C15 | F20 | 119.7° | 119.9° |
| C13 | C14 | C15 | H14 | 120.2° | 120.0° |
| C13 | C14 | C15 | N16 | 55.8° | 59.1° |
| C14 | C13 | C18 | C17 | 54.6° | 57.7° |
| C13 | C14 | F20 | H14 | 119.1° | 120.1° |
| C14 | C13 | C18 | H13 | 117.3° | 119.9° |
| C14 | C13 | N12 | H12 | 54.7° | 25.1° |
| C13 | C14 | C15 | H15A | 64.5° | 60.8° |
| C13 | C14 | C15 | H15B | 176.0° | 179.2° |
| C14 | C13 | C18 | H18A | 174.8° | 62.3° |
| C14 | C13 | C18 | H18B | 65.6° | 177.6° |
| C14 | C15 | N16 | H15A | 120.2° | 120.0° |
| C14 | C15 | N16 | H15B | 120.3° | 120.1° |
| C14 | C15 | N16 | C17 | 58.8° | 61.7° |
| C14 | C15 | N16 | C19 | 177.2° | 174.2° |
| C15 | C14 | F20 | H14 | 119.2° | 120.1° |
| C15 | C14 | C13 | C18 | 53.3° | 57.6° |
| C15 | C14 | C13 | H13 | 64.0° | 62.4° |
| C14 | C15 | H15A | H15B | 119.2° | 120.0° |
| C15 | N16 | C17 | C19 | 123.6° | 124.1° |
| C15 | N16 | C17 | C18 | 59.9° | 61.7° |
| N16 | C15 | C14 | F20 | 63.9° | 60.8° |
| N16 | C15 | H15A | H15B | 119.3° | 120.0° |
| C15 | N16 | C17 | H17A | 60.2° | 178.2° |
| C15 | N16 | C17 | H17B | 179.9° | 58.3° |
| N16 | C15 | C14 | H14 | 176.0° | 179.1° |
| C15 | N16 | C19 | H19A | 180.0° | 60.0° |
| C15 | N16 | C19 | H19B | 60.0° | 179.9° |
| C15 | N16 | C19 | H19C | 60.0° | 60.0° |
| N16 | C17 | C18 | H17A | 120.1° | 120.0° |
| N16 | C17 | C18 | H17B | 120.1° | 120.0° |
| N16 | C17 | C18 | C13 | 58.3° | 59.2° |
| C17 | N16 | C15 | H15A | 61.5° | 58.3° |
| C17 | N16 | C15 | H15B | 179.0° | 178.2° |
| N16 | C17 | H17A | H17B | 119.8° | 120.0° |
| N16 | C17 | C18 | H18A | 178.6° | 60.8° |
| N16 | C17 | C18 | H18B | 61.9° | 179.1° |
| C17 | N16 | C19 | H19A | 56.7° | 175.8° |
| C17 | N16 | C19 | H19B | 63.3° | 55.8° |
| C17 | N16 | C19 | H19C | 176.7° | 64.2° |
| C18 | C17 | N16 | C19 | 176.5° | 174.2° |
| C17 | C18 | C13 | H18A | 120.2° | 120.0° |
| C17 | C18 | C13 | H18B | 120.2° | 120.0° |
| C17 | C18 | C13 | H13 | 62.7° | 62.3° |
| C18 | C17 | H17A | H17B | 119.8° | 120.0° |
| C17 | C18 | H18A | H18B | 119.3° | 120.1° |
| C19 | N16 | C15 | H15A | 62.5° | 65.8° |
| C19 | N16 | C15 | H15B | 57.0° | 54.1° |
| C19 | N16 | C17 | H17A | 63.4° | 54.2° |
| C19 | N16 | C17 | H17B | 56.4° | 65.8° |
| N16 | C19 | H19A | H19B | 120.0° | 120.0° |
| N16 | C19 | H19A | H19C | 120.0° | 120.0° |
| N16 | C19 | H19B | H19C | 120.0° | 120.1° |
| F20 | C14 | C13 | C18 | 66.5° | 62.3° |
| F20 | C14 | C13 | H13 | 176.2° | 177.7° |
| F20 | C14 | C15 | H15A | 175.9° | 179.3° |
| F20 | C14 | C15 | H15B | 56.4° | 59.3° |
| C11 | C21 | C22 | C7 | 179.4° | 180.0° |
| C11 | C21 | C22 | C23 | 179.4° | 180.0° |
| C21 | C11 | C10 | H10 | 179.9° | 179.9° |
| C21 | C11 | N12 | H12 | 46.2° | 0.1° |
| C11 | C21 | C22 | H22 | 0.6° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 178.1° | 180.0° |
| C21 | C22 | C23 | N6 | 0.1° | 0.3° |
| C22 | C23 | C24 | N6 | 177.9° | 179.6° |
| C22 | C23 | C24 | C25 | 84.3° | 50.7° |
| C23 | C22 | C21 | C7 | 0.0° | 0.0° |
| C23 | C24 | C25 | C26 | 23.4° | 169.2° |
| C24 | C23 | C22 | H22 | 1.9° | 0.0° |
| C24 | C25 | C26 | N27 | 174.3° | 39.8° |
| C25 | C24 | C23 | N6 | 93.6° | 129.7° |
| C24 | C25 | C26 | H26A | 65.2° | 80.2° |
| C24 | C25 | C26 | H26B | 53.7° | 159.8° |
| C25 | C26 | N27 | H26A | 120.5° | 120.0° |
| C25 | C26 | N27 | H26B | 120.6° | 120.0° |
| C25 | C26 | N27 | C28 | 72.4° | 180.0° |
| C25 | C26 | H26A | H26B | 118.3° | 120.0° |
| C25 | C26 | N27 | H27 | 165.7° | 0.0° |
| C26 | N27 | C28 | H27 | 121.9° | 180.0° |
| C26 | N27 | C28 | C29 | 175.2° | 180.0° |
| C26 | N27 | C28 | C33 | 5.1° | 0.3° |
| N27 | C26 | H26A | H26B | 118.3° | 120.0° |
| N27 | C28 | C29 | C33 | 179.7° | 179.7° |
| N27 | C28 | C29 | C30 | 179.6° | 179.7° |
| N27 | C28 | C33 | C32 | 179.7° | 179.7° |
| N27 | C28 | C29 | O38 | 1.7° | 0.3° |
| C28 | N27 | C26 | H26A | 48.1° | 60.0° |
| C28 | N27 | C26 | H26B | 167.0° | 60.0° |
| N27 | C28 | C33 | H33 | 0.3° | 0.4° |
| C28 | C29 | C30 | O38 | 178.5° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C29 | C28 | C33 | C32 | 0.0° | 0.1° |
| C28 | C29 | O38 | C39 | 178.7° | 180.0° |
| C28 | C29 | C30 | H30 | 179.8° | 180.0° |
| C29 | C28 | C33 | H33 | 180.0° | 180.0° |
| C29 | C28 | N27 | H27 | 62.9° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | C34 | 179.4° | 180.0° |
| C30 | C29 | O38 | C39 | 2.7° | 0.0° |
| C30 | C29 | C28 | C33 | 0.1° | 0.1° |
| C30 | C31 | C32 | C34 | 179.6° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C34 | N35 | 12.0° | 180.0° |
| C30 | C31 | C34 | O37 | 167.4° | 0.1° |
| C31 | C30 | C29 | O38 | 178.4° | 180.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C32 | C31 | C34 | N35 | 168.4° | 0.0° |
| C32 | C31 | C34 | O37 | 12.2° | 180.0° |
| C31 | C32 | C33 | C28 | 0.0° | 0.0° |
| C32 | C31 | C30 | H30 | 179.9° | 180.0° |
| C31 | C32 | C33 | H33 | 180.0° | 179.9° |
| C33 | C32 | C31 | C34 | 179.5° | 180.0° |
| C32 | C33 | C28 | H33 | 180.0° | 179.9° |
| C31 | C34 | N35 | O37 | 179.4° | 179.9° |
| C31 | C34 | N35 | C36 | 179.8° | 180.0° |
| C34 | C31 | C30 | H30 | 0.6° | 0.1° |
| C34 | C31 | C32 | H32 | 0.5° | 0.0° |
| C31 | C34 | N35 | H35 | 0.2° | 0.1° |
| C34 | N35 | C36 | H35 | 180.0° | 179.9° |
| C34 | N35 | C36 | H36A | 180.0° | 180.0° |
| C34 | N35 | C36 | H36B | 60.0° | 59.9° |
| C34 | N35 | C36 | H36C | 60.0° | 60.0° |
| C36 | N35 | C34 | O37 | 0.8° | 0.1° |
| N35 | C36 | H36A | H36B | 120.0° | 120.0° |
| N35 | C36 | H36A | H36C | 120.0° | 120.0° |
| N35 | C36 | H36B | H36C | 120.0° | 120.0° |
| O37 | C34 | N35 | H35 | 179.2° | 180.0° |
| O38 | C29 | C28 | C33 | 178.6° | 180.0° |
| O38 | C29 | C30 | H30 | 1.6° | 0.1° |
| C29 | O38 | C39 | H39A | 180.0° | 60.0° |
| C29 | O38 | C39 | H39B | 60.0° | 59.9° |
| C29 | O38 | C39 | H39C | 60.0° | 180.0° |
| O38 | C39 | H39A | H39B | 120.0° | 120.0° |
| O38 | C39 | H39A | H39C | 120.0° | 120.0° |
| O38 | C39 | H39B | H39C | 120.0° | 120.1° |
| C23 | N6 | C7 | C21 | 0.1° | 0.4° |
| C23 | N6 | C5 | H5A | 25.7° | 30.1° |
| C23 | N6 | C5 | H5B | 144.9° | 150.1° |
| N6 | C23 | C22 | H22 | 179.9° | 179.7° |
| C21 | C7 | C8 | H8 | 179.8° | 179.9° |
| C7 | C21 | C22 | H22 | 180.0° | 180.0° |
| C18 | C13 | N12 | H12 | 68.2° | 94.6° |
| C13 | C18 | C17 | H17A | 61.7° | 179.2° |
| C13 | C18 | C17 | H17B | 178.4° | 60.8° |
| C18 | C13 | C14 | H14 | 173.5° | 177.6° |
| C13 | C18 | H18A | H18B | 119.3° | 120.1° |
| C28 | C33 | C32 | H32 | 180.0° | 180.0° |
| C33 | C28 | N27 | H27 | 116.8° | 179.7° |
| H8 | C8 | C9 | H9 | 0.2° | 0.1° |
| H10 | C10 | C9 | H9 | 0.1° | 0.1° |
| H12 | N12 | C13 | H13 | 174.2° | 145.2° |
| H13 | C13 | C14 | H14 | 56.2° | 57.6° |
| H13 | C13 | C18 | H18A | 57.5° | 177.7° |
| H13 | C13 | C18 | H18B | 177.0° | 57.7° |
| H15A | C15 | C14 | H14 | 55.7° | 59.2° |
| H15B | C15 | C14 | H14 | 63.8° | 60.8° |
| H17A | C17 | C18 | H18A | 58.5° | 59.2° |
| H17A | C17 | C18 | H18B | 178.0° | 60.9° |
| H17B | C17 | C18 | H18A | 61.4° | 179.2° |
| H17B | C17 | C18 | H18B | 58.2° | 59.1° |
| H26A | C26 | N27 | H27 | 73.8° | 120.0° |
| H26B | C26 | N27 | H27 | 45.1° | 120.0° |
| H19A | C19 | H19B | H19C | 120.0° | 120.0° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| H36A | C36 | H36B | H36C | 120.0° | 120.0° |
| H36A | C36 | N35 | H35 | 0.0° | 0.0° |
| H36B | C36 | N35 | H35 | 120.0° | 120.0° |
| H36C | C36 | N35 | H35 | 120.0° | 120.0° |
| H39A | C39 | H39B | H39C | 120.0° | 120.0° |
