FUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.36Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.51Å | |
| F22 | C21 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C21 | C23 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| C13 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | N8 | sing | 1.40Å | 1.42Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | N8 | sing | 1.47Å | 1.49Å | |
| N8 | C6 | sing | 1.35Å | 1.37Å | |
| C32 | C31 | doub | 1.37Å | 1.38Å | Aromatic |
| C36 | C31 | sing | 1.40Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.48Å | 1.47Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| O38 | C37 | doub | 1.22Å | 1.23Å | |
| C6 | O7 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C37 | N29 | sing | 1.34Å | 1.36Å | |
| C5 | N4 | sing | 1.47Å | 1.47Å | |
| C30 | N29 | sing | 1.47Å | 1.46Å | |
| N29 | C28 | sing | 1.47Å | 1.46Å | |
| N4 | C3 | sing | 1.47Å | 1.47Å | |
| N4 | C27 | sing | 1.47Å | 1.48Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C27 | C39 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N40 | sing | 1.47Å | 1.50Å | |
| C39 | N40 | sing | 1.47Å | 1.49Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.09Å | 1.10Å | |
| C5 | H47 | sing | 1.09Å | 1.10Å | |
| C11 | H53 | sing | 1.09Å | 1.10Å | |
| C11 | H51 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C12 | H55 | sing | 1.09Å | 1.10Å | |
| C12 | H56 | sing | 1.09Å | 1.10Å | |
| C12 | H54 | sing | 1.09Å | 1.10Å | |
| C15 | H57 | sing | 1.08Å | 1.08Å | |
| C19 | H60 | sing | 1.08Å | 1.08Å | |
| C23 | H62 | sing | 1.08Å | 1.08Å | |
| C24 | H63 | sing | 1.08Å | 1.08Å | |
| C25 | H64 | sing | 1.08Å | 1.08Å | |
| C27 | H65 | sing | 1.09Å | 1.10Å | |
| C28 | H67 | sing | 1.09Å | 1.10Å | |
| C28 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H73 | sing | 1.08Å | 1.08Å | |
| C39 | H74 | sing | 1.09Å | 1.10Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C9 | H50 | sing | 1.09Å | 1.10Å | |
| C9 | H49 | sing | 1.09Å | 1.10Å | |
| C17 | H59 | sing | 1.09Å | 1.10Å | |
| C17 | H58 | sing | 1.09Å | 1.10Å | |
| C20 | H61 | sing | 1.08Å | 1.08Å | |
| C30 | H69 | sing | 1.09Å | 1.10Å | |
| C30 | H68 | sing | 1.09Å | 1.10Å | |
| C32 | H70 | sing | 1.08Å | 1.08Å | |
| C33 | H71 | sing | 1.08Å | 1.08Å | |
| C34 | H72 | sing | 1.08Å | 1.08Å | |
| N40 | H77 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 118.8° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C20 | C19 | H60 | 119.9° | 120.0° |
| C19 | C20 | H61 | 120.6° | 120.0° |
| C20 | C21 | F22 | 118.7° | 120.0° |
| C20 | C21 | C23 | 122.6° | 119.9° |
| C21 | C20 | H61 | 120.6° | 120.0° |
| C19 | C18 | C17 | 121.0° | 120.0° |
| C19 | C18 | C24 | 118.8° | 120.0° |
| C18 | C19 | H60 | 119.8° | 120.0° |
| C15 | N14 | C13 | 116.7° | 122.0° |
| N14 | C15 | C16 | 124.1° | 120.7° |
| N14 | C15 | H57 | 118.0° | 119.7° |
| N14 | C13 | C10 | 126.1° | 130.7° |
| N14 | C13 | C26 | 123.2° | 120.9° |
| C15 | C16 | C17 | 120.6° | 120.4° |
| C15 | C16 | C25 | 118.1° | 119.3° |
| C16 | C15 | H57 | 117.9° | 119.7° |
| C12 | C10 | C11 | 109.1° | 110.3° |
| C12 | C10 | C13 | 112.0° | 110.5° |
| C12 | C10 | C9 | 112.1° | 110.4° |
| C10 | C12 | H55 | 109.5° | 109.5° |
| C10 | C12 | H56 | 109.5° | 109.5° |
| C10 | C12 | H54 | 109.5° | 109.5° |
| F22 | C21 | C23 | 118.6° | 120.1° |
| C11 | C10 | C13 | 110.3° | 110.4° |
| C11 | C10 | C9 | 110.8° | 110.4° |
| C10 | C11 | H53 | 109.5° | 109.5° |
| C10 | C11 | H51 | 109.5° | 109.5° |
| C10 | C11 | H52 | 109.5° | 109.4° |
| C21 | C23 | C24 | 118.9° | 120.0° |
| C21 | C23 | H62 | 120.6° | 120.0° |
| C10 | C13 | C26 | 110.7° | 108.4° |
| C13 | C10 | C9 | 102.4° | 104.6° |
| C13 | C26 | C25 | 120.2° | 118.5° |
| C13 | C26 | N8 | 109.2° | 111.9° |
| C17 | C18 | C24 | 120.3° | 120.0° |
| C18 | C17 | C16 | 112.4° | 109.4° |
| C18 | C17 | H59 | 108.7° | 109.5° |
| C18 | C17 | H58 | 108.7° | 109.5° |
| C18 | C24 | C23 | 120.6° | 120.0° |
| C18 | C24 | H63 | 119.7° | 120.0° |
| C10 | C9 | N8 | 103.9° | 105.2° |
| C10 | C9 | H50 | 110.8° | 110.3° |
| C10 | C9 | H49 | 110.8° | 110.3° |
| C17 | C16 | C25 | 121.3° | 120.3° |
| C16 | C17 | H59 | 108.7° | 109.4° |
| C16 | C17 | H58 | 108.8° | 109.4° |
| C16 | C25 | C26 | 117.7° | 118.6° |
| C16 | C25 | H64 | 121.1° | 120.7° |
| C33 | C34 | C35 | 120.1° | 120.3° |
| C34 | C33 | C32 | 120.2° | 120.2° |
| C34 | C33 | H71 | 119.9° | 119.9° |
| C33 | C34 | H72 | 119.9° | 119.8° |
| C34 | C35 | C36 | 119.3° | 119.8° |
| C34 | C35 | H73 | 120.4° | 120.1° |
| C35 | C34 | H72 | 120.0° | 119.9° |
| C24 | C23 | H62 | 120.6° | 120.0° |
| C23 | C24 | H63 | 119.7° | 120.0° |
| C25 | C26 | N8 | 130.6° | 129.6° |
| C26 | C25 | H64 | 121.1° | 120.7° |
| C26 | N8 | C9 | 109.4° | 110.0° |
| C26 | N8 | C6 | 127.1° | 125.1° |
| C33 | C32 | C31 | 120.0° | 120.0° |
| C33 | C32 | H70 | 120.0° | 120.0° |
| C32 | C33 | H71 | 119.9° | 119.9° |
| C35 | C36 | C31 | 121.0° | 119.4° |
| C35 | C36 | C37 | 130.2° | 132.4° |
| C36 | C35 | H73 | 120.4° | 120.1° |
| C9 | N8 | C6 | 122.0° | 125.0° |
| N8 | C9 | H50 | 110.8° | 110.3° |
| N8 | C9 | H49 | 110.8° | 110.3° |
| N8 | C6 | O7 | 121.6° | 120.0° |
| N8 | C6 | C5 | 116.7° | 120.0° |
| C32 | C31 | C36 | 119.5° | 120.4° |
| C32 | C31 | C30 | 131.0° | 133.2° |
| C31 | C32 | H70 | 120.0° | 120.0° |
| C31 | C36 | C37 | 108.8° | 108.3° |
| C36 | C31 | C30 | 109.5° | 106.4° |
| C36 | C37 | O38 | 128.4° | 124.8° |
| C36 | C37 | N29 | 106.2° | 110.3° |
| C31 | C30 | N29 | 101.9° | 106.2° |
| C31 | C30 | H69 | 111.3° | 110.1° |
| C31 | C30 | H68 | 111.3° | 110.1° |
| O38 | C37 | N29 | 125.4° | 124.9° |
| O7 | C6 | C5 | 121.6° | 120.0° |
| C6 | C5 | N4 | 115.7° | 109.5° |
| C6 | C5 | H48 | 107.9° | 109.5° |
| C6 | C5 | H47 | 107.9° | 109.5° |
| C37 | N29 | C30 | 113.5° | 108.8° |
| C37 | N29 | C28 | 124.2° | 125.6° |
| C5 | N4 | C3 | 112.1° | 111.0° |
| C5 | N4 | C27 | 116.8° | 111.0° |
| N4 | C5 | H48 | 107.9° | 109.5° |
| N4 | C5 | H47 | 107.9° | 109.4° |
| C30 | N29 | C28 | 122.3° | 125.6° |
| N29 | C30 | H69 | 111.3° | 110.1° |
| N29 | C30 | H68 | 111.3° | 110.1° |
| N29 | C28 | C27 | 114.3° | 109.5° |
| N29 | C28 | H67 | 108.2° | 109.5° |
| N29 | C28 | H66 | 108.3° | 109.5° |
| C3 | N4 | C27 | 116.5° | 110.9° |
| N4 | C3 | C2 | 113.8° | 109.4° |
| N4 | C3 | H46 | 108.4° | 109.5° |
| N4 | C3 | H45 | 108.4° | 109.5° |
| N4 | C27 | C28 | 117.0° | 109.5° |
| N4 | C27 | C39 | 105.2° | 109.4° |
| N4 | C27 | H65 | 107.8° | 109.4° |
| C28 | C27 | C39 | 112.1° | 109.5° |
| C28 | C27 | H65 | 107.0° | 109.6° |
| C27 | C28 | H67 | 108.3° | 109.4° |
| C27 | C28 | H66 | 108.3° | 109.4° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C3 | C2 | N40 | 109.4° | 109.4° |
| C3 | C2 | H44 | 108.4° | 109.5° |
| C2 | C3 | H46 | 108.4° | 109.5° |
| C2 | C3 | H45 | 108.4° | 109.5° |
| C27 | C39 | N40 | 110.0° | 109.4° |
| C39 | C27 | H65 | 107.4° | 109.5° |
| C27 | C39 | H74 | 109.3° | 109.4° |
| C27 | C39 | H75 | 109.3° | 109.5° |
| C1 | C2 | N40 | 109.7° | 109.5° |
| C2 | C1 | H41 | 109.5° | 109.5° |
| C2 | C1 | H42 | 109.5° | 109.4° |
| C2 | C1 | H43 | 109.5° | 109.4° |
| C1 | C2 | H44 | 108.6° | 109.5° |
| C2 | N40 | C39 | 112.8° | 110.9° |
| N40 | C2 | H44 | 108.7° | 109.5° |
| C2 | N40 | H77 | 108.7° | 111.0° |
| N40 | C39 | H74 | 109.4° | 109.5° |
| N40 | C39 | H75 | 109.3° | 109.5° |
| C39 | N40 | H77 | 108.6° | 111.0° |
| H41 | C1 | H42 | 109.5° | 109.5° |
| H41 | C1 | H43 | 109.5° | 109.5° |
| H42 | C1 | H43 | 109.5° | 109.5° |
| H46 | C3 | H45 | 109.5° | 109.5° |
| H48 | C5 | H47 | 109.5° | 109.5° |
| H53 | C11 | H51 | 109.4° | 109.5° |
| H53 | C11 | H52 | 109.5° | 109.5° |
| H51 | C11 | H52 | 109.5° | 109.5° |
| H55 | C12 | H56 | 109.5° | 109.4° |
| H55 | C12 | H54 | 109.5° | 109.4° |
| H56 | C12 | H54 | 109.5° | 109.5° |
| H67 | C28 | H66 | 109.4° | 109.5° |
| H74 | C39 | H75 | 109.5° | 109.5° |
| H50 | C9 | H49 | 109.5° | 110.4° |
| H59 | C17 | H58 | 109.5° | 109.5° |
| H69 | C30 | H68 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H61 | 180.0° | 179.9° |
| C20 | C19 | C18 | H60 | 180.0° | 179.6° |
| C19 | C20 | C21 | F22 | 178.3° | 179.8° |
| C19 | C20 | C21 | C23 | 0.4° | 0.1° |
| C20 | C19 | C18 | C17 | 178.5° | 179.7° |
| C20 | C19 | C18 | C24 | 0.0° | 0.4° |
| C21 | C20 | C19 | C18 | 0.5° | 0.1° |
| C20 | C21 | F22 | C23 | 178.7° | 179.8° |
| C20 | C21 | C23 | C24 | 0.2° | 0.3° |
| C21 | C20 | C19 | H60 | 179.5° | 179.7° |
| C20 | C21 | C23 | H62 | 179.7° | 179.9° |
| C19 | C18 | C17 | C24 | 178.4° | 179.9° |
| C19 | C18 | C17 | C16 | 108.1° | 94.0° |
| C19 | C18 | C24 | C23 | 0.7° | 0.6° |
| C19 | C18 | C24 | H63 | 179.3° | 179.9° |
| C19 | C18 | C17 | H59 | 131.5° | 25.9° |
| C19 | C18 | C17 | H58 | 12.4° | 146.0° |
| C18 | C19 | C20 | H61 | 179.5° | 180.0° |
| N14 | C15 | C16 | H57 | 180.0° | 179.9° |
| C15 | N14 | C13 | C10 | 178.5° | 180.0° |
| C15 | N14 | C13 | C26 | 1.4° | 0.1° |
| N14 | C15 | C16 | C17 | 179.2° | 180.0° |
| N14 | C15 | C16 | C25 | 0.2° | 0.1° |
| C13 | N14 | C15 | C16 | 0.9° | 0.1° |
| N14 | C13 | C10 | C12 | 47.5° | 61.1° |
| N14 | C13 | C10 | C11 | 74.3° | 61.2° |
| N14 | C13 | C10 | C26 | 177.4° | 179.9° |
| N14 | C13 | C10 | C9 | 167.7° | 180.0° |
| N14 | C13 | C26 | C25 | 0.8° | 0.1° |
| N14 | C13 | C26 | N8 | 179.5° | 180.0° |
| C13 | N14 | C15 | H57 | 179.1° | 180.0° |
| C15 | C16 | C17 | C18 | 89.6° | 86.0° |
| C15 | C16 | C17 | C25 | 178.9° | 179.9° |
| C15 | C16 | C25 | C26 | 0.9° | 0.0° |
| C15 | C16 | C25 | H64 | 179.1° | 180.0° |
| C15 | C16 | C17 | H59 | 150.0° | 154.0° |
| C15 | C16 | C17 | H58 | 30.8° | 34.0° |
| C12 | C10 | C11 | C13 | 123.5° | 122.4° |
| C12 | C10 | C11 | C9 | 123.8° | 122.3° |
| C12 | C10 | C13 | C9 | 120.2° | 118.8° |
| C12 | C10 | C13 | C26 | 135.1° | 118.8° |
| C12 | C10 | C9 | N8 | 140.4° | 118.9° |
| C12 | C10 | C11 | H53 | 180.0° | 62.3° |
| C12 | C10 | C11 | H51 | 60.0° | 57.7° |
| C12 | C10 | C11 | H52 | 60.0° | 177.7° |
| C10 | C12 | H55 | H56 | 120.0° | 120.0° |
| C10 | C12 | H55 | H54 | 120.0° | 120.0° |
| C10 | C12 | H56 | H54 | 120.0° | 120.1° |
| C12 | C10 | C9 | H50 | 21.3° | 0.0° |
| C12 | C10 | C9 | H49 | 100.6° | 122.2° |
| F22 | C21 | C23 | C24 | 178.9° | 180.0° |
| F22 | C21 | C23 | H62 | 1.1° | 0.2° |
| F22 | C21 | C20 | H61 | 1.7° | 0.3° |
| C11 | C10 | C13 | C9 | 118.0° | 118.8° |
| C11 | C10 | C13 | C26 | 103.1° | 118.8° |
| C11 | C10 | C9 | N8 | 97.5° | 118.8° |
| C10 | C11 | H53 | H51 | 120.0° | 120.0° |
| C10 | C11 | H53 | H52 | 120.0° | 120.0° |
| C10 | C11 | H51 | H52 | 120.0° | 120.0° |
| C11 | C10 | C12 | H55 | 180.0° | 177.7° |
| C11 | C10 | C12 | H56 | 60.0° | 57.7° |
| C11 | C10 | C12 | H54 | 60.0° | 62.4° |
| C11 | C10 | C9 | H50 | 143.4° | 122.3° |
| C11 | C10 | C9 | H49 | 21.6° | 0.1° |
| C21 | C23 | C24 | C18 | 0.8° | 0.5° |
| C21 | C23 | C24 | H62 | 180.0° | 179.8° |
| C21 | C23 | C24 | H63 | 179.2° | 180.0° |
| C23 | C21 | C20 | H61 | 179.6° | 180.0° |
| C10 | C13 | C26 | C25 | 178.3° | 180.0° |
| C10 | C13 | C26 | N8 | 3.0° | 0.0° |
| C13 | C10 | C9 | N8 | 20.2° | 0.0° |
| C13 | C10 | C11 | H53 | 56.5° | 175.2° |
| C13 | C10 | C11 | H51 | 176.5° | 64.8° |
| C13 | C10 | C11 | H52 | 63.5° | 55.2° |
| C13 | C10 | C12 | H55 | 57.5° | 55.3° |
| C13 | C10 | C12 | H56 | 62.5° | 64.7° |
| C13 | C10 | C12 | H54 | 177.5° | 175.2° |
| C13 | C10 | C9 | H50 | 98.9° | 118.9° |
| C13 | C10 | C9 | H49 | 139.2° | 118.9° |
| C26 | C13 | C10 | C9 | 14.9° | 0.0° |
| C13 | C26 | C25 | C16 | 0.4° | 0.0° |
| C13 | C26 | C25 | N8 | 178.5° | 180.0° |
| C13 | C26 | N8 | C9 | 11.1° | 0.0° |
| C13 | C26 | N8 | C6 | 177.0° | 180.0° |
| C13 | C26 | C25 | H64 | 179.6° | 180.0° |
| C18 | C17 | C16 | H59 | 120.4° | 120.0° |
| C18 | C17 | C16 | H58 | 120.4° | 120.0° |
| C18 | C17 | C16 | C25 | 89.3° | 94.1° |
| C17 | C18 | C24 | C23 | 179.1° | 179.5° |
| C17 | C18 | C19 | H60 | 1.5° | 0.1° |
| C17 | C18 | C24 | H63 | 0.9° | 0.0° |
| C18 | C17 | H59 | H58 | 118.6° | 120.1° |
| C24 | C18 | C17 | C16 | 70.3° | 86.1° |
| C18 | C24 | C23 | H63 | 180.0° | 179.5° |
| C24 | C18 | C19 | H60 | 180.0° | 180.0° |
| C18 | C24 | C23 | H62 | 179.2° | 179.7° |
| C24 | C18 | C17 | H59 | 50.1° | 154.0° |
| C24 | C18 | C17 | H58 | 169.3° | 33.9° |
| C10 | C9 | N8 | C26 | 19.9° | 0.0° |
| C10 | C9 | N8 | H50 | 119.1° | 118.9° |
| C10 | C9 | N8 | H49 | 119.1° | 118.9° |
| C10 | C9 | N8 | C6 | 173.3° | 180.0° |
| C9 | C10 | C11 | H53 | 56.1° | 60.0° |
| C9 | C10 | C11 | H51 | 63.8° | 180.0° |
| C9 | C10 | C11 | H52 | 176.2° | 60.0° |
| C9 | C10 | C12 | H55 | 56.9° | 60.0° |
| C9 | C10 | C12 | H56 | 176.9° | 180.0° |
| C9 | C10 | C12 | H54 | 63.1° | 60.0° |
| C10 | C9 | H50 | H49 | 122.6° | 122.1° |
| C17 | C16 | C25 | C26 | 179.8° | 179.9° |
| C17 | C16 | C15 | H57 | 0.8° | 0.1° |
| C17 | C16 | C25 | H64 | 0.2° | 0.1° |
| C16 | C17 | H59 | H58 | 118.7° | 119.9° |
| C16 | C25 | C26 | H64 | 180.0° | 180.0° |
| C16 | C25 | C26 | N8 | 178.1° | 180.0° |
| C25 | C16 | C15 | H57 | 179.7° | 180.0° |
| C25 | C16 | C17 | H59 | 31.2° | 25.9° |
| C25 | C16 | C17 | H58 | 150.3° | 145.9° |
| C33 | C34 | C35 | H72 | 180.0° | 179.7° |
| C34 | C33 | C32 | H71 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.3° |
| C34 | C33 | C32 | C31 | 0.7° | 0.0° |
| C33 | C34 | C35 | H73 | 179.9° | 179.8° |
| C34 | C33 | C32 | H70 | 179.3° | 179.9° |
| C35 | C34 | C33 | C32 | 0.4° | 0.3° |
| C34 | C35 | C36 | H73 | 180.0° | 179.9° |
| C34 | C35 | C36 | C31 | 0.0° | 0.1° |
| C34 | C35 | C36 | C37 | 179.3° | 179.9° |
| C35 | C34 | C33 | H71 | 179.6° | 179.7° |
| C25 | C26 | N8 | C9 | 167.5° | 180.0° |
| C25 | C26 | N8 | C6 | 1.6° | 0.0° |
| C26 | N8 | C9 | C6 | 166.8° | 180.0° |
| C26 | N8 | C6 | O7 | 13.8° | 174.6° |
| C26 | N8 | C6 | C5 | 166.6° | 5.4° |
| N8 | C26 | C25 | H64 | 1.9° | 0.0° |
| C26 | N8 | C9 | H50 | 99.2° | 118.9° |
| C26 | N8 | C9 | H49 | 139.0° | 118.9° |
| C33 | C32 | C31 | H70 | 180.0° | 179.9° |
| C33 | C32 | C31 | C36 | 0.7° | 0.3° |
| C33 | C32 | C31 | C30 | 178.8° | 180.0° |
| C32 | C33 | C34 | H72 | 179.6° | 180.0° |
| C35 | C36 | C31 | C32 | 0.3° | 0.2° |
| C35 | C36 | C31 | C37 | 179.5° | 180.0° |
| C35 | C36 | C31 | C30 | 179.3° | 180.0° |
| C35 | C36 | C37 | O38 | 1.5° | 0.1° |
| C35 | C36 | C37 | N29 | 178.1° | 180.0° |
| C36 | C35 | C34 | H72 | 180.0° | 180.0° |
| C9 | N8 | C6 | O7 | 178.1° | 5.3° |
| C9 | N8 | C6 | C5 | 2.2° | 174.6° |
| N8 | C9 | H50 | H49 | 122.6° | 122.2° |
| N8 | C6 | O7 | C5 | 179.6° | 180.0° |
| N8 | C6 | C5 | N4 | 176.6° | 175.2° |
| N8 | C6 | C5 | H48 | 55.7° | 55.2° |
| N8 | C6 | C5 | H47 | 62.5° | 64.8° |
| C6 | N8 | C9 | H50 | 67.6° | 61.1° |
| C6 | N8 | C9 | H49 | 54.2° | 61.1° |
| C32 | C31 | C36 | C30 | 179.6° | 179.8° |
| C32 | C31 | C36 | C37 | 179.8° | 179.8° |
| C32 | C31 | C30 | N29 | 178.6° | 179.7° |
| C32 | C31 | C30 | H69 | 59.8° | 61.1° |
| C32 | C31 | C30 | H68 | 62.6° | 60.5° |
| C31 | C32 | C33 | H71 | 179.3° | 180.0° |
| C31 | C36 | C37 | O38 | 179.1° | 179.9° |
| C31 | C36 | C37 | N29 | 1.3° | 0.0° |
| C36 | C31 | C30 | N29 | 0.8° | 0.0° |
| C31 | C36 | C35 | H73 | 180.0° | 180.0° |
| C36 | C31 | C30 | H69 | 119.7° | 119.2° |
| C36 | C31 | C30 | H68 | 117.9° | 119.2° |
| C36 | C31 | C32 | H70 | 179.4° | 179.6° |
| C37 | C36 | C31 | C30 | 0.2° | 0.0° |
| C36 | C37 | O38 | N29 | 179.6° | 179.9° |
| C36 | C37 | N29 | C30 | 1.9° | 0.0° |
| C36 | C37 | N29 | C28 | 176.5° | 180.0° |
| C37 | C36 | C35 | H73 | 0.6° | 0.0° |
| C31 | C30 | N29 | C37 | 1.7° | 0.0° |
| C31 | C30 | N29 | H69 | 118.8° | 119.2° |
| C31 | C30 | N29 | H68 | 118.8° | 119.2° |
| C31 | C30 | N29 | C28 | 176.7° | 180.0° |
| C31 | C30 | H69 | H68 | 123.5° | 121.6° |
| C30 | C31 | C32 | H70 | 1.2° | 0.0° |
| O38 | C37 | N29 | C30 | 178.4° | 179.9° |
| O38 | C37 | N29 | C28 | 3.1° | 0.1° |
| O7 | C6 | C5 | N4 | 3.8° | 4.8° |
| O7 | C6 | C5 | H48 | 124.7° | 124.8° |
| O7 | C6 | C5 | H47 | 117.1° | 115.2° |
| C6 | C5 | N4 | H48 | 120.9° | 120.0° |
| C6 | C5 | N4 | H47 | 120.9° | 120.0° |
| C6 | C5 | N4 | C3 | 71.5° | 74.8° |
| C6 | C5 | N4 | C27 | 66.5° | 161.4° |
| C6 | C5 | H48 | H47 | 117.2° | 120.0° |
| C37 | N29 | C30 | C28 | 178.4° | 180.0° |
| C37 | N29 | C28 | C27 | 117.6° | 95.4° |
| C37 | N29 | C28 | H67 | 121.7° | 24.6° |
| C37 | N29 | C28 | H66 | 3.2° | 144.6° |
| C37 | N29 | C30 | H69 | 120.5° | 119.2° |
| C37 | N29 | C30 | H68 | 117.1° | 119.2° |
| C5 | N4 | C3 | C27 | 138.2° | 123.9° |
| C5 | N4 | C27 | C28 | 41.5° | 56.8° |
| C5 | N4 | C3 | C2 | 172.0° | 176.8° |
| C5 | N4 | C27 | C39 | 166.6° | 176.8° |
| C5 | N4 | C3 | H46 | 51.4° | 63.2° |
| C5 | N4 | C3 | H45 | 67.4° | 56.8° |
| N4 | C5 | H48 | H47 | 117.2° | 119.9° |
| C5 | N4 | C27 | H65 | 79.1° | 63.2° |
| C30 | N29 | C28 | C27 | 60.7° | 84.6° |
| C30 | N29 | C28 | H67 | 60.0° | 155.4° |
| C30 | N29 | C28 | H66 | 178.5° | 35.4° |
| N29 | C30 | H69 | H68 | 123.5° | 121.6° |
| N29 | C28 | C27 | N4 | 84.1° | 56.6° |
| N29 | C28 | C27 | H67 | 120.7° | 120.0° |
| N29 | C28 | C27 | H66 | 120.7° | 120.0° |
| N29 | C28 | C27 | C39 | 154.4° | 63.3° |
| N29 | C28 | C27 | H65 | 36.9° | 176.5° |
| N29 | C28 | H67 | H66 | 117.8° | 120.0° |
| C28 | N29 | C30 | H69 | 57.9° | 60.8° |
| C28 | N29 | C30 | H68 | 64.5° | 60.8° |
| C3 | N4 | C27 | C28 | 177.7° | 179.3° |
| N4 | C3 | C2 | H46 | 120.6° | 120.0° |
| N4 | C3 | C2 | H45 | 120.6° | 120.0° |
| C3 | N4 | C27 | C39 | 57.1° | 59.3° |
| N4 | C3 | C2 | C1 | 165.0° | 178.4° |
| N4 | C3 | C2 | N40 | 43.2° | 58.4° |
| N4 | C3 | C2 | H44 | 75.2° | 61.5° |
| N4 | C3 | H46 | H45 | 118.1° | 120.0° |
| C3 | N4 | C5 | H48 | 167.6° | 165.2° |
| C3 | N4 | C5 | H47 | 49.4° | 45.2° |
| C3 | N4 | C27 | H65 | 57.2° | 60.7° |
| N4 | C27 | C28 | C39 | 121.6° | 119.9° |
| N4 | C27 | C28 | H65 | 121.0° | 120.0° |
| C27 | N4 | C3 | C2 | 49.8° | 59.3° |
| N4 | C27 | C39 | H65 | 114.6° | 119.9° |
| N4 | C27 | C39 | N40 | 62.3° | 58.4° |
| C27 | N4 | C3 | H46 | 170.4° | 60.7° |
| C27 | N4 | C3 | H45 | 70.8° | 179.3° |
| C27 | N4 | C5 | H48 | 54.4° | 41.4° |
| C27 | N4 | C5 | H47 | 172.5° | 78.6° |
| N4 | C27 | C28 | H67 | 155.2° | 176.6° |
| N4 | C27 | C28 | H66 | 36.7° | 63.5° |
| N4 | C27 | C39 | H74 | 177.6° | 178.4° |
| N4 | C27 | C39 | H75 | 57.8° | 61.6° |
| C28 | C27 | C39 | H65 | 117.3° | 120.2° |
| C28 | C27 | C39 | N40 | 169.6° | 178.3° |
| C27 | C28 | H67 | H66 | 117.8° | 119.9° |
| C28 | C27 | C39 | H74 | 49.5° | 61.7° |
| C28 | C27 | C39 | H75 | 70.4° | 58.3° |
| C3 | C2 | C1 | N40 | 121.7° | 119.9° |
| C3 | C2 | C1 | H44 | 119.7° | 120.1° |
| C3 | C2 | N40 | H44 | 118.2° | 120.0° |
| C3 | C2 | N40 | C39 | 51.2° | 59.3° |
| C3 | C2 | C1 | H41 | 180.0° | 179.9° |
| C3 | C2 | C1 | H42 | 60.0° | 60.1° |
| C3 | C2 | C1 | H43 | 60.0° | 59.8° |
| C2 | C3 | H46 | H45 | 118.0° | 120.0° |
| C3 | C2 | N40 | H77 | 171.7° | 176.8° |
| C27 | C39 | N40 | C2 | 63.5° | 59.3° |
| C27 | C39 | N40 | H74 | 120.1° | 119.9° |
| C27 | C39 | N40 | H75 | 120.1° | 120.0° |
| C39 | C27 | C28 | H67 | 33.7° | 56.7° |
| C39 | C27 | C28 | H66 | 84.9° | 176.7° |
| C27 | C39 | H74 | H75 | 119.8° | 120.0° |
| C27 | C39 | N40 | H77 | 176.0° | 176.8° |
| C1 | C2 | N40 | H44 | 118.5° | 120.0° |
| C1 | C2 | N40 | C39 | 174.5° | 179.3° |
| C2 | C1 | H41 | H42 | 120.0° | 119.9° |
| C2 | C1 | H41 | H43 | 120.0° | 120.0° |
| C2 | C1 | H42 | H43 | 120.0° | 119.9° |
| C1 | C2 | C3 | H46 | 74.4° | 58.4° |
| C1 | C2 | C3 | H45 | 44.4° | 61.7° |
| C1 | C2 | N40 | H77 | 65.0° | 56.8° |
| C2 | N40 | C39 | H77 | 120.5° | 123.9° |
| N40 | C2 | C1 | H41 | 58.3° | 60.0° |
| N40 | C2 | C1 | H42 | 178.2° | 180.0° |
| N40 | C2 | C1 | H43 | 61.7° | 60.1° |
| N40 | C2 | C3 | H46 | 163.8° | 61.6° |
| N40 | C2 | C3 | H45 | 77.5° | 178.4° |
| C2 | N40 | C39 | H74 | 176.4° | 179.3° |
| C2 | N40 | C39 | H75 | 56.5° | 60.7° |
| C39 | N40 | C2 | H44 | 67.0° | 60.7° |
| N40 | C39 | C27 | H65 | 52.3° | 61.5° |
| N40 | C39 | H74 | H75 | 119.7° | 120.1° |
| H41 | C1 | H42 | H43 | 120.0° | 120.1° |
| H41 | C1 | C2 | H44 | 60.3° | 60.0° |
| H42 | C1 | C2 | H44 | 59.6° | 60.0° |
| H43 | C1 | C2 | H44 | 179.7° | 179.9° |
| H44 | C2 | C3 | H46 | 45.4° | 178.5° |
| H44 | C2 | C3 | H45 | 164.2° | 58.4° |
| H44 | C2 | N40 | H77 | 53.5° | 63.2° |
| H53 | C11 | H51 | H52 | 120.0° | 120.0° |
| H55 | C12 | H56 | H54 | 120.0° | 119.9° |
| H60 | C19 | C20 | H61 | 0.5° | 0.4° |
| H62 | C23 | C24 | H63 | 0.8° | 0.2° |
| H65 | C27 | C28 | H67 | 83.8° | 63.4° |
| H65 | C27 | C28 | H66 | 157.7° | 56.5° |
| H65 | C27 | C39 | H74 | 67.8° | 58.5° |
| H65 | C27 | C39 | H75 | 172.4° | 178.5° |
| H73 | C35 | C34 | H72 | 0.1° | 0.1° |
| H74 | C39 | N40 | H77 | 55.9° | 56.9° |
| H75 | C39 | N40 | H77 | 64.0° | 63.2° |
| H70 | C32 | C33 | H71 | 0.7° | 0.1° |
| H71 | C33 | C34 | H72 | 0.4° | 0.0° |
