LGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.45Å | Aromatic |
| C14 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C22 | sing | 1.48Å | 1.45Å | |
| C16 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C25 | sing | 1.51Å | 1.48Å | |
| C17 | C31 | sing | 1.51Å | 1.50Å | |
| C18 | N35 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | N38 | sing | 1.40Å | 1.45Å | |
| C20 | C23 | sing | 1.47Å | 1.45Å | |
| C20 | N35 | sing | 1.35Å | 1.36Å | Aromatic |
| C21 | C32 | sing | 1.51Å | 1.47Å | |
| C21 | N33 | doub | 1.32Å | 1.33Å | Aromatic |
| C22 | N34 | doub | 1.30Å | 1.30Å | |
| C22 | N36 | sing | 1.38Å | 1.36Å | |
| C23 | N38 | sing | 1.35Å | 1.43Å | |
| C23 | O40 | doub | 1.22Å | 1.23Å | |
| C24 | N36 | sing | 1.35Å | 1.38Å | |
| C24 | N37 | sing | 1.35Å | 1.41Å | |
| C24 | O41 | doub | 1.22Å | 1.22Å | |
| C25 | C28 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.54Å | 1.53Å | |
| C26 | C29 | sing | 1.54Å | 1.52Å | |
| C27 | C30 | sing | 1.54Å | 1.53Å | |
| C28 | N38 | sing | 1.46Å | 1.49Å | |
| C29 | N39 | sing | 1.49Å | 1.47Å | |
| C30 | N39 | sing | 1.49Å | 1.47Å | |
| C31 | N39 | sing | 1.47Å | 1.47Å | |
| C32 | F42 | sing | 1.40Å | 1.38Å | |
| C32 | F43 | sing | 1.40Å | 1.39Å | |
| C32 | F44 | sing | 1.40Å | 1.38Å | |
| N33 | N35 | sing | 1.41Å | 1.33Å | Aromatic |
| N34 | N37 | sing | 1.40Å | 1.37Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| 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 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N37 | HN37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.2° | 120.1° |
| C1 | C2 | C8 | 119.8° | 120.3° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C1 | C2 | H2 | 120.1° | 119.8° |
| C1 | C4 | C14 | 120.1° | 119.9° |
| C4 | C1 | H1 | 119.9° | 120.0° |
| C1 | C4 | H4 | 119.9° | 120.0° |
| C2 | C8 | C17 | 120.2° | 120.1° |
| C8 | C2 | H2 | 120.1° | 119.9° |
| C2 | C8 | H8 | 119.9° | 120.0° |
| C7 | C3 | C9 | 120.2° | 120.2° |
| C3 | C7 | C15 | 120.1° | 120.0° |
| C7 | C3 | H3 | 119.9° | 119.9° |
| C3 | C7 | H7 | 120.0° | 120.0° |
| C3 | C9 | C18 | 118.7° | 120.2° |
| C9 | C3 | H3 | 119.9° | 119.9° |
| C3 | C9 | H9 | 120.7° | 120.0° |
| C4 | C14 | C13 | 118.8° | 120.1° |
| C4 | C14 | C17 | 119.7° | 119.7° |
| C14 | C4 | H4 | 120.0° | 120.1° |
| C10 | C5 | C13 | 119.7° | 120.0° |
| C5 | C10 | C19 | 119.8° | 120.0° |
| C10 | C5 | H5 | 120.1° | 120.0° |
| C5 | C10 | H10 | 120.1° | 120.0° |
| C5 | C13 | C6 | 120.3° | 119.9° |
| C5 | C13 | C14 | 121.3° | 120.0° |
| C13 | C5 | H5 | 120.2° | 120.0° |
| C11 | C6 | C13 | 120.0° | 119.9° |
| C6 | C11 | C19 | 120.1° | 120.1° |
| C11 | C6 | H6 | 120.0° | 120.0° |
| C6 | C11 | H11 | 119.9° | 120.0° |
| C6 | C13 | C14 | 118.4° | 120.1° |
| C13 | C6 | H6 | 120.0° | 120.0° |
| C7 | C15 | C12 | 119.9° | 119.8° |
| C7 | C15 | C22 | 121.5° | 120.1° |
| C15 | C7 | H7 | 120.0° | 120.0° |
| C8 | C17 | C14 | 120.0° | 119.9° |
| C8 | C17 | C31 | 117.9° | 120.0° |
| C17 | C8 | H8 | 119.9° | 119.9° |
| C9 | C18 | C12 | 121.4° | 120.0° |
| C9 | C18 | N35 | 123.2° | 120.0° |
| C18 | C9 | H9 | 120.7° | 119.9° |
| C10 | C19 | C11 | 120.1° | 120.1° |
| C10 | C19 | N38 | 121.6° | 120.0° |
| C19 | C10 | H10 | 120.1° | 120.0° |
| C11 | C19 | N38 | 118.2° | 120.0° |
| C19 | C11 | H11 | 120.0° | 119.9° |
| C15 | C12 | C18 | 119.8° | 119.8° |
| C12 | C15 | C22 | 118.5° | 120.1° |
| C15 | C12 | H12 | 120.1° | 120.1° |
| C12 | C18 | N35 | 115.4° | 120.0° |
| C18 | C12 | H12 | 120.1° | 120.1° |
| C13 | C14 | C17 | 121.5° | 120.2° |
| C14 | C17 | C31 | 122.1° | 120.0° |
| C15 | C22 | N34 | 126.5° | 125.7° |
| C15 | C22 | N36 | 118.1° | 125.8° |
| C20 | C16 | C21 | 104.2° | 107.7° |
| C20 | C16 | C25 | 121.0° | 121.5° |
| C16 | C20 | C23 | 125.8° | 120.7° |
| C16 | C20 | N35 | 105.5° | 107.4° |
| C21 | C16 | C25 | 134.8° | 130.9° |
| C16 | C21 | C32 | 129.4° | 125.7° |
| C16 | C21 | N33 | 112.7° | 108.6° |
| C16 | C25 | C28 | 110.5° | 108.8° |
| C16 | C25 | H25 | 109.2° | 109.6° |
| C16 | C25 | H25A | 109.2° | 109.6° |
| C17 | C31 | N39 | 113.8° | 109.5° |
| C17 | C31 | H31 | 108.0° | 109.5° |
| C17 | C31 | H31A | 108.0° | 109.5° |
| C18 | N35 | C20 | 126.8° | 126.3° |
| C18 | N35 | N33 | 118.2° | 126.3° |
| C19 | N38 | C23 | 117.2° | 118.8° |
| C19 | N38 | C28 | 120.0° | 118.7° |
| C23 | C20 | N35 | 128.7° | 131.9° |
| C20 | C23 | N38 | 114.5° | 116.8° |
| C20 | C23 | O40 | 121.8° | 121.6° |
| C20 | N35 | N33 | 114.7° | 107.4° |
| C32 | C21 | N33 | 117.9° | 125.7° |
| C21 | C32 | F42 | 114.2° | 109.5° |
| C21 | C32 | F43 | 114.2° | 109.5° |
| C21 | C32 | F44 | 111.2° | 109.5° |
| C21 | N33 | N35 | 102.9° | 108.9° |
| N34 | C22 | N36 | 115.4° | 108.5° |
| C22 | N34 | N37 | 103.1° | 108.1° |
| C22 | N36 | C24 | 105.8° | 108.3° |
| C22 | N36 | HN36 | 127.1° | 125.8° |
| N38 | C23 | O40 | 123.7° | 121.6° |
| C23 | N38 | C28 | 118.2° | 122.5° |
| N36 | C24 | N37 | 104.3° | 107.6° |
| N36 | C24 | O41 | 127.6° | 126.2° |
| C24 | N36 | HN36 | 127.1° | 125.8° |
| N37 | C24 | O41 | 128.1° | 126.1° |
| C24 | N37 | N34 | 111.5° | 107.5° |
| C24 | N37 | HN37 | 124.3° | 126.3° |
| C25 | C28 | N38 | 114.0° | 112.7° |
| C28 | C25 | H25 | 109.1° | 109.6° |
| C28 | C25 | H25A | 109.1° | 109.6° |
| C25 | C28 | H28 | 108.0° | 108.8° |
| C25 | C28 | H28A | 108.0° | 108.8° |
| C27 | C26 | C29 | 104.3° | 105.0° |
| C26 | C27 | C30 | 105.6° | 105.1° |
| C27 | C26 | H26 | 111.2° | 110.3° |
| C27 | C26 | H26A | 111.2° | 110.3° |
| C26 | C27 | H27 | 110.8° | 110.3° |
| C26 | C27 | H27A | 110.8° | 110.4° |
| C26 | C29 | N39 | 101.7° | 104.6° |
| C29 | C26 | H26 | 111.2° | 110.3° |
| C29 | C26 | H26A | 111.2° | 110.3° |
| C26 | C29 | H29 | 112.1° | 110.4° |
| C26 | C29 | H29A | 112.1° | 110.4° |
| C27 | C30 | N39 | 103.6° | 104.6° |
| C30 | C27 | H27 | 110.8° | 110.3° |
| C30 | C27 | H27A | 110.8° | 110.3° |
| C27 | C30 | H30 | 111.5° | 110.4° |
| C27 | C30 | H30A | 111.5° | 110.4° |
| N38 | C28 | H28 | 108.0° | 108.9° |
| N38 | C28 | H28A | 108.0° | 108.8° |
| C29 | N39 | C30 | 105.0° | 104.2° |
| C29 | N39 | C31 | 111.4° | 111.0° |
| N39 | C29 | H29 | 112.1° | 110.4° |
| N39 | C29 | H29A | 112.1° | 110.4° |
| C30 | N39 | C31 | 110.6° | 111.0° |
| N39 | C30 | H30 | 111.5° | 110.4° |
| N39 | C30 | H30A | 111.5° | 110.4° |
| N39 | C31 | H31 | 108.0° | 109.4° |
| N39 | C31 | H31A | 108.1° | 109.5° |
| F42 | C32 | F43 | 107.9° | 109.4° |
| F42 | C32 | F44 | 100.7° | 109.5° |
| F43 | C32 | F44 | 107.5° | 109.5° |
| N34 | N37 | HN37 | 124.2° | 126.2° |
| H25 | C25 | H25A | 109.8° | 109.7° |
| H26 | C26 | H26A | 107.7° | 110.4° |
| H27 | C27 | H27A | 108.1° | 110.4° |
| H28 | C28 | H28A | 110.9° | 108.7° |
| H29 | C29 | H29A | 106.7° | 110.5° |
| H30 | C30 | H30A | 107.4° | 110.4° |
| H31 | C31 | H31A | 110.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | C2 | C8 | H2 | 180.0° | 179.9° |
| C2 | C1 | C4 | C14 | 0.7° | 0.0° |
| C1 | C2 | C8 | C17 | 0.0° | 0.0° |
| C2 | C1 | C4 | H4 | 179.3° | 179.9° |
| C1 | C2 | C8 | H8 | 180.0° | 179.9° |
| C4 | C1 | C2 | C8 | 0.0° | 0.0° |
| C1 | C4 | C14 | H4 | 180.0° | 179.9° |
| C1 | C4 | C14 | C13 | 179.7° | 180.0° |
| C1 | C4 | C14 | C17 | 1.3° | 0.1° |
| C4 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C8 | C17 | H8 | 180.0° | 180.0° |
| C2 | C8 | C17 | C14 | 0.6° | 0.0° |
| C2 | C8 | C17 | C31 | 179.6° | 180.0° |
| C8 | C2 | C1 | H1 | 180.0° | 179.7° |
| C7 | C3 | C9 | H3 | 180.0° | 179.7° |
| C3 | C7 | C15 | H7 | 180.0° | 180.0° |
| C7 | C3 | C9 | C18 | 0.4° | 0.0° |
| C3 | C7 | C15 | C12 | 0.1° | 0.0° |
| C3 | C7 | C15 | C22 | 179.8° | 179.9° |
| C7 | C3 | C9 | H9 | 179.6° | 180.0° |
| C9 | C3 | C7 | C15 | 0.0° | 0.0° |
| C3 | C9 | C18 | H9 | 180.0° | 180.0° |
| C3 | C9 | C18 | C12 | 1.0° | 0.0° |
| C3 | C9 | C18 | N35 | 179.3° | 180.0° |
| C9 | C3 | C7 | H7 | 180.0° | 180.0° |
| C4 | C14 | C13 | C5 | 118.6° | 56.5° |
| C4 | C14 | C13 | C6 | 62.2° | 123.6° |
| C4 | C14 | C17 | C8 | 1.3° | 0.1° |
| C4 | C14 | C13 | C17 | 178.3° | 179.8° |
| C4 | C14 | C17 | C31 | 179.8° | 179.9° |
| C14 | C4 | C1 | H1 | 179.3° | 179.6° |
| C10 | C5 | C13 | H5 | 180.0° | 179.7° |
| C10 | C5 | C13 | C6 | 0.1° | 0.1° |
| C5 | C10 | C19 | H10 | 180.0° | 180.0° |
| C5 | C10 | C19 | C11 | 1.5° | 0.0° |
| C10 | C5 | C13 | C14 | 179.0° | 180.0° |
| C5 | C10 | C19 | N38 | 178.2° | 180.0° |
| C5 | C13 | C6 | C11 | 0.3° | 0.1° |
| C5 | C13 | C6 | C14 | 179.1° | 179.9° |
| C13 | C5 | C10 | C19 | 0.8° | 0.0° |
| C5 | C13 | C14 | C17 | 63.0° | 123.7° |
| C5 | C13 | C6 | H6 | 179.7° | 180.0° |
| C13 | C5 | C10 | H10 | 179.2° | 180.0° |
| C11 | C6 | C13 | H6 | 180.0° | 179.9° |
| C6 | C11 | C19 | C10 | 1.3° | 0.0° |
| C6 | C11 | C19 | H11 | 180.0° | 180.0° |
| C11 | C6 | C13 | C14 | 178.8° | 180.0° |
| C6 | C11 | C19 | N38 | 178.0° | 180.0° |
| C13 | C6 | C11 | C19 | 0.4° | 0.0° |
| C6 | C13 | C14 | C17 | 116.1° | 56.3° |
| C6 | C13 | C5 | H5 | 179.9° | 179.7° |
| C13 | C6 | C11 | H11 | 179.6° | 179.9° |
| C7 | C15 | C12 | C22 | 179.9° | 179.9° |
| C7 | C15 | C12 | C18 | 0.7° | 0.0° |
| C7 | C15 | C22 | N34 | 4.5° | 180.0° |
| C7 | C15 | C22 | N36 | 175.3° | 0.3° |
| C15 | C7 | C3 | H3 | 179.9° | 179.7° |
| C7 | C15 | C12 | H12 | 179.3° | 180.0° |
| C8 | C17 | C14 | C13 | 179.6° | 179.9° |
| C8 | C17 | C14 | C31 | 178.9° | 180.0° |
| C8 | C17 | C31 | N39 | 73.1° | 105.8° |
| C17 | C8 | C2 | H2 | 180.0° | 180.0° |
| C8 | C17 | C31 | H31 | 166.9° | 134.2° |
| C8 | C17 | C31 | H31A | 46.9° | 14.2° |
| C9 | C18 | C12 | C15 | 1.2° | 0.0° |
| C9 | C18 | C12 | N35 | 178.5° | 180.0° |
| C9 | C18 | N35 | C20 | 82.8° | 42.8° |
| C9 | C18 | N35 | N33 | 103.6° | 137.1° |
| C18 | C9 | C3 | H3 | 179.6° | 179.7° |
| C9 | C18 | C12 | H12 | 178.9° | 180.0° |
| C10 | C19 | C11 | N38 | 176.7° | 180.0° |
| C10 | C19 | N38 | C23 | 65.2° | 57.2° |
| C10 | C19 | N38 | C28 | 139.4° | 122.7° |
| C19 | C10 | C5 | H5 | 179.2° | 179.7° |
| C10 | C19 | C11 | H11 | 178.7° | 180.0° |
| C11 | C19 | N38 | C23 | 111.5° | 122.8° |
| C11 | C19 | N38 | C28 | 43.9° | 57.3° |
| C19 | C11 | C6 | H6 | 179.6° | 180.0° |
| C11 | C19 | C10 | H10 | 178.5° | 180.0° |
| C15 | C12 | C18 | H12 | 180.0° | 180.0° |
| C15 | C12 | C18 | N35 | 179.6° | 180.0° |
| C12 | C15 | C22 | N34 | 175.5° | 0.1° |
| C12 | C15 | C22 | N36 | 4.7° | 179.7° |
| C12 | C15 | C7 | H7 | 179.9° | 180.0° |
| C18 | C12 | C15 | C22 | 179.2° | 180.0° |
| C12 | C18 | N35 | C20 | 95.7° | 137.2° |
| C12 | C18 | N35 | N33 | 77.9° | 42.9° |
| C12 | C18 | C9 | H9 | 179.0° | 180.0° |
| C13 | C14 | C17 | C31 | 1.5° | 0.1° |
| C13 | C14 | C4 | H4 | 0.3° | 0.2° |
| C14 | C13 | C5 | H5 | 1.0° | 0.3° |
| C14 | C13 | C6 | H6 | 1.2° | 0.1° |
| C14 | C17 | C31 | N39 | 108.0° | 74.1° |
| C17 | C14 | C4 | H4 | 178.7° | 180.0° |
| C14 | C17 | C8 | H8 | 179.3° | 180.0° |
| C14 | C17 | C31 | H31 | 12.0° | 45.8° |
| C14 | C17 | C31 | H31A | 132.0° | 165.8° |
| C15 | C22 | N34 | N36 | 179.8° | 179.8° |
| C15 | C22 | N36 | C24 | 179.9° | 180.0° |
| C15 | C22 | N34 | N37 | 180.0° | 180.0° |
| C22 | C15 | C7 | H7 | 0.2° | 0.1° |
| C22 | C15 | C12 | H12 | 0.8° | 0.0° |
| C15 | C22 | N36 | HN36 | 0.1° | 0.0° |
| C20 | C16 | C21 | C25 | 179.8° | 179.4° |
| C16 | C20 | N35 | C18 | 176.2° | 179.6° |
| C16 | C20 | C23 | N35 | 178.0° | 179.8° |
| C20 | C16 | C21 | C32 | 177.9° | 179.8° |
| C20 | C16 | C21 | N33 | 0.1° | 0.3° |
| C16 | C20 | C23 | N38 | 0.6° | 9.2° |
| C16 | C20 | C23 | O40 | 179.9° | 170.9° |
| C20 | C16 | C25 | C28 | 21.1° | 28.5° |
| C16 | C20 | N35 | N33 | 2.4° | 0.4° |
| C20 | C16 | C25 | H25 | 141.1° | 91.3° |
| C20 | C16 | C25 | H25A | 98.9° | 148.3° |
| C21 | C16 | C20 | C23 | 179.7° | 179.4° |
| C21 | C16 | C20 | N35 | 1.4° | 0.4° |
| C16 | C21 | C32 | N33 | 177.8° | 180.0° |
| C21 | C16 | C25 | C28 | 158.7° | 152.1° |
| C16 | C21 | C32 | F42 | 175.3° | 90.0° |
| C16 | C21 | C32 | F43 | 50.3° | 150.0° |
| C16 | C21 | C32 | F44 | 71.6° | 30.0° |
| C16 | C21 | N33 | N35 | 1.3° | 0.0° |
| C21 | C16 | C25 | H25 | 38.7° | 88.0° |
| C21 | C16 | C25 | H25A | 81.3° | 32.3° |
| C25 | C16 | C20 | C23 | 0.4° | 1.1° |
| C25 | C16 | C20 | N35 | 178.8° | 179.1° |
| C25 | C16 | C21 | C32 | 1.9° | 0.8° |
| C25 | C16 | C21 | N33 | 179.9° | 179.2° |
| C16 | C25 | C28 | H25 | 120.0° | 119.8° |
| C16 | C25 | C28 | H25A | 120.0° | 119.8° |
| C16 | C25 | C28 | N38 | 42.3° | 46.0° |
| C16 | C25 | H25 | H25A | 119.6° | 120.3° |
| C16 | C25 | C28 | H28 | 77.7° | 166.9° |
| C16 | C25 | C28 | H28A | 162.3° | 74.9° |
| C17 | C31 | N39 | C29 | 71.0° | 174.0° |
| C17 | C31 | N39 | C30 | 172.6° | 70.6° |
| C17 | C31 | N39 | H31 | 120.0° | 120.0° |
| C17 | C31 | N39 | H31A | 120.0° | 120.0° |
| C31 | C17 | C8 | H8 | 0.4° | 0.0° |
| C17 | C31 | H31 | H31A | 118.2° | 120.0° |
| C18 | N35 | C20 | C23 | 5.5° | 0.6° |
| C18 | N35 | C20 | N33 | 173.8° | 179.9° |
| C18 | N35 | N33 | C21 | 176.7° | 179.8° |
| N35 | C18 | C9 | H9 | 0.7° | 0.0° |
| N35 | C18 | C12 | H12 | 0.4° | 0.0° |
| C19 | N38 | C23 | C20 | 178.8° | 167.9° |
| C19 | N38 | C23 | C28 | 155.9° | 179.9° |
| C19 | N38 | C23 | O40 | 0.7° | 12.2° |
| C19 | N38 | C28 | C25 | 159.3° | 138.7° |
| N38 | C19 | C10 | H10 | 1.8° | 0.0° |
| N38 | C19 | C11 | H11 | 2.0° | 0.0° |
| C19 | N38 | C28 | H28 | 80.6° | 17.8° |
| C19 | N38 | C28 | H28A | 39.4° | 100.4° |
| C20 | C23 | N38 | O40 | 179.4° | 179.9° |
| C20 | C23 | N38 | C28 | 22.9° | 12.0° |
| C23 | C20 | N35 | N33 | 179.3° | 179.4° |
| C20 | N35 | N33 | C21 | 2.3° | 0.3° |
| N35 | C20 | C23 | N38 | 178.6° | 170.6° |
| N35 | C20 | C23 | O40 | 1.9° | 9.3° |
| C21 | C32 | F42 | F43 | 128.3° | 120.0° |
| C21 | C32 | F42 | F44 | 119.2° | 120.0° |
| C21 | C32 | F43 | F44 | 123.9° | 120.0° |
| C32 | C21 | N33 | N35 | 179.5° | 180.0° |
| N33 | C21 | C32 | F42 | 6.9° | 89.9° |
| N33 | C21 | C32 | F43 | 131.9° | 30.0° |
| N33 | C21 | C32 | F44 | 106.2° | 150.0° |
| N34 | C22 | N36 | C24 | 0.3° | 0.2° |
| C22 | N34 | N37 | C24 | 0.0° | 0.1° |
| N34 | C22 | N36 | HN36 | 179.7° | 179.8° |
| C22 | N34 | N37 | HN37 | 180.0° | 179.9° |
| C22 | N36 | C24 | HN36 | 180.0° | 180.0° |
| C22 | N36 | C24 | N37 | 0.3° | 0.1° |
| C22 | N36 | C24 | O41 | 179.6° | 180.0° |
| N36 | C22 | N34 | N37 | 0.2° | 0.2° |
| C23 | N38 | C28 | C25 | 45.5° | 41.2° |
| C23 | N38 | C28 | H28 | 74.5° | 162.1° |
| C23 | N38 | C28 | H28A | 165.5° | 79.6° |
| O40 | C23 | N38 | C28 | 156.5° | 167.8° |
| N36 | C24 | N37 | O41 | 179.9° | 179.9° |
| N36 | C24 | N37 | N34 | 0.2° | 0.0° |
| N36 | C24 | N37 | HN37 | 179.8° | 179.9° |
| C24 | N37 | N34 | HN37 | 180.0° | 179.9° |
| N37 | C24 | N36 | HN36 | 179.7° | 179.9° |
| O41 | C24 | N37 | N34 | 179.7° | 179.9° |
| O41 | C24 | N36 | HN36 | 0.4° | 0.0° |
| O41 | C24 | N37 | HN37 | 0.3° | 0.1° |
| C25 | C28 | N38 | H28 | 120.0° | 120.9° |
| C25 | C28 | N38 | H28A | 120.0° | 120.9° |
| C28 | C25 | H25 | H25A | 119.6° | 120.4° |
| C25 | C28 | H28 | H28A | 118.2° | 118.4° |
| C27 | C26 | C29 | H26 | 120.0° | 118.9° |
| C27 | C26 | C29 | H26A | 120.0° | 118.9° |
| C26 | C27 | C30 | H27 | 120.0° | 118.8° |
| C26 | C27 | C30 | H27A | 120.0° | 118.9° |
| C27 | C26 | C29 | N39 | 33.6° | 23.9° |
| C26 | C27 | C30 | N39 | 16.2° | 23.8° |
| C27 | C26 | H26 | H26A | 122.1° | 122.2° |
| C26 | C27 | H27 | H27A | 121.6° | 122.2° |
| C27 | C26 | C29 | H29 | 86.4° | 94.9° |
| C27 | C26 | C29 | H29A | 153.6° | 142.6° |
| C26 | C27 | C30 | H30 | 136.2° | 142.6° |
| C26 | C27 | C30 | H30A | 103.7° | 95.0° |
| C29 | C26 | C27 | C30 | 10.7° | 0.0° |
| C26 | C29 | N39 | H29 | 120.0° | 118.8° |
| C26 | C29 | N39 | H29A | 120.0° | 118.8° |
| C26 | C29 | N39 | C30 | 45.4° | 39.5° |
| C26 | C29 | N39 | C31 | 165.1° | 159.0° |
| C29 | C26 | H26 | H26A | 122.1° | 122.2° |
| C29 | C26 | C27 | H27 | 130.7° | 118.9° |
| C29 | C26 | C27 | H27A | 109.3° | 118.9° |
| C26 | C29 | H29 | H29A | 123.1° | 122.4° |
| C27 | C30 | N39 | C29 | 38.6° | 39.5° |
| C27 | C30 | N39 | H30 | 120.0° | 118.8° |
| C27 | C30 | N39 | H30A | 120.0° | 118.8° |
| C27 | C30 | N39 | C31 | 158.9° | 159.0° |
| C30 | C27 | C26 | H26 | 130.7° | 118.9° |
| C30 | C27 | C26 | H26A | 109.3° | 118.9° |
| C30 | C27 | H27 | H27A | 121.6° | 122.2° |
| C27 | C30 | H30 | H30A | 122.4° | 122.4° |
| N38 | C28 | C25 | H25 | 162.3° | 73.8° |
| N38 | C28 | C25 | H25A | 77.7° | 165.8° |
| N38 | C28 | H28 | H28A | 118.1° | 118.4° |
| C29 | N39 | C30 | C31 | 120.3° | 119.6° |
| N39 | C29 | C26 | H26 | 153.6° | 142.7° |
| N39 | C29 | C26 | H26A | 86.4° | 95.0° |
| N39 | C29 | H29 | H29A | 123.2° | 122.4° |
| C29 | N39 | C30 | H30 | 158.6° | 158.3° |
| C29 | N39 | C30 | H30A | 81.4° | 79.3° |
| C29 | N39 | C31 | H31 | 49.0° | 53.9° |
| C29 | N39 | C31 | H31A | 169.0° | 66.0° |
| N39 | C30 | C27 | H27 | 103.7° | 95.0° |
| N39 | C30 | C27 | H27A | 136.2° | 142.8° |
| C30 | N39 | C29 | H29 | 74.6° | 79.3° |
| C30 | N39 | C29 | H29A | 165.4° | 158.3° |
| N39 | C30 | H30 | H30A | 122.4° | 122.5° |
| C30 | N39 | C31 | H31 | 67.4° | 169.4° |
| C30 | N39 | C31 | H31A | 52.6° | 49.4° |
| C31 | N39 | C29 | H29 | 45.2° | 40.3° |
| C31 | N39 | C29 | H29A | 74.9° | 82.2° |
| C31 | N39 | C30 | H30 | 81.1° | 82.2° |
| C31 | N39 | C30 | H30A | 38.9° | 40.3° |
| N39 | C31 | H31 | H31A | 118.3° | 120.0° |
| F42 | C32 | F43 | F44 | 107.9° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C4 | H4 | 0.7° | 0.3° |
| H2 | C2 | C8 | H8 | 0.0° | 0.0° |
| H3 | C3 | C7 | H7 | 0.1° | 0.3° |
| H3 | C3 | C9 | H9 | 0.4° | 0.3° |
| H5 | C5 | C10 | H10 | 0.8° | 0.3° |
| H6 | C6 | C11 | H11 | 0.4° | 0.0° |
| H25 | C25 | C28 | H28 | 42.3° | 47.1° |
| H25 | C25 | C28 | H28A | 77.7° | 165.3° |
| H25A | C25 | C28 | H28 | 162.3° | 73.3° |
| H25A | C25 | C28 | H28A | 42.2° | 44.9° |
| H26 | C26 | C27 | H27 | 109.3° | 122.2° |
| H26 | C26 | C27 | H27A | 10.7° | 0.0° |
| H26 | C26 | C29 | H29 | 33.6° | 24.0° |
| H26 | C26 | C29 | H29A | 86.4° | 98.5° |
| H26A | C26 | C27 | H27 | 10.7° | 0.0° |
| H26A | C26 | C27 | H27A | 130.7° | 122.2° |
| H26A | C26 | C29 | H29 | 153.6° | 146.2° |
| H26A | C26 | C29 | H29A | 33.6° | 23.7° |
| H27 | C27 | C30 | H30 | 16.2° | 23.8° |
| H27 | C27 | C30 | H30A | 136.3° | 146.2° |
| H27A | C27 | C30 | H30 | 103.8° | 98.4° |
| H27A | C27 | C30 | H30A | 16.2° | 24.0° |
