FX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | C32 | sing | 1.53Å | 1.48Å | |
| C36 | C32 | sing | 1.53Å | 1.48Å | |
| C32 | F34 | sing | 1.40Å | 1.42Å | |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| O33 | C31 | doub | 1.21Å | 1.23Å | |
| C31 | N1 | sing | 1.35Å | 1.34Å | |
| O65 | C60 | sing | 1.36Å | 1.36Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C7 | C3 | sing | 1.53Å | 1.53Å | |
| C61 | C60 | doub | 1.39Å | 1.40Å | Aromatic |
| C61 | C62 | sing | 1.38Å | 1.39Å | Aromatic |
| C60 | C59 | sing | 1.40Å | 1.40Å | Aromatic |
| N56 | N55 | doub | 1.28Å | 1.35Å | Aromatic |
| N56 | C57 | sing | 1.32Å | 1.35Å | Aromatic |
| N55 | C54 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C62 | C63 | doub | 1.38Å | 1.38Å | Aromatic |
| N58 | C57 | sing | 1.39Å | 1.34Å | |
| C59 | C54 | sing | 1.48Å | 1.49Å | |
| C59 | C64 | doub | 1.39Å | 1.40Å | Aromatic |
| C57 | C52 | doub | 1.40Å | 1.43Å | Aromatic |
| C54 | C53 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | O9 | doub | 1.21Å | 1.22Å | |
| C4 | N8 | sing | 1.35Å | 1.35Å | |
| C63 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C53 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
| C52 | N49 | sing | 1.40Å | 1.42Å | |
| O14 | C12 | sing | 1.43Å | 1.43Å | |
| C50 | N49 | sing | 1.47Å | 1.47Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C13 | N8 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| N8 | C10 | sing | 1.47Å | 1.47Å | |
| N49 | C48 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.55Å | 1.52Å | |
| C51 | N46 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | C15 | sing | 1.51Å | 1.53Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| N46 | C47 | sing | 1.47Å | 1.47Å | |
| N46 | C45 | sing | 1.47Å | 1.48Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.33Å | |
| C45 | C44 | sing | 1.53Å | 1.51Å | |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| O42 | C44 | sing | 1.43Å | 1.41Å | |
| O42 | C41 | sing | 1.43Å | 1.43Å | |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.53Å | 1.49Å | |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | O39 | sing | 1.43Å | 1.42Å | |
| O39 | C43 | sing | 1.43Å | 1.43Å | |
| O37 | C20 | sing | 1.36Å | 1.38Å | |
| O37 | C38 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C38 | C43 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.48Å | |
| C25 | S29 | sing | 1.76Å | 1.73Å | Aromatic |
| C25 | C26 | doub | 1.35Å | 1.37Å | Aromatic |
| S29 | C28 | sing | 1.71Å | 1.72Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.49Å | |
| C26 | N27 | sing | 1.31Å | 1.38Å | Aromatic |
| C28 | N27 | doub | 1.29Å | 1.29Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| O14 | H21 | sing | 0.97Å | 0.95Å | |
| N17 | H22 | sing | 0.97Å | 1.00Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C51 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H54 | sing | 1.08Å | 1.08Å | |
| N58 | H55 | sing | 0.97Å | 1.00Å | |
| N58 | H56 | sing | 0.97Å | 1.00Å | |
| C61 | H57 | sing | 1.08Å | 1.08Å | |
| C62 | H58 | sing | 1.08Å | 1.08Å | |
| C63 | H59 | sing | 1.08Å | 1.08Å | |
| C64 | H60 | sing | 1.08Å | 1.08Å | |
| O65 | H61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C32 | 59.4° | 60.0° |
| C35 | C36 | C32 | 59.3° | 60.0° |
| C36 | C35 | H29 | 120.1° | 117.5° |
| C36 | C35 | H30 | 120.1° | 117.5° |
| C35 | C36 | H31 | 120.2° | 117.4° |
| C35 | C36 | H32 | 120.1° | 117.5° |
| C35 | C32 | C36 | 61.4° | 60.0° |
| C35 | C32 | F34 | 114.5° | 117.5° |
| C35 | C32 | C31 | 121.7° | 117.5° |
| C32 | C35 | H29 | 120.1° | 117.5° |
| C32 | C35 | H30 | 120.1° | 117.5° |
| C36 | C32 | F34 | 114.7° | 117.5° |
| C36 | C32 | C31 | 122.9° | 117.5° |
| C32 | C36 | H31 | 120.1° | 117.5° |
| C32 | C36 | H32 | 120.2° | 117.5° |
| F34 | C32 | C31 | 112.6° | 115.6° |
| C32 | C31 | O33 | 122.4° | 120.0° |
| C32 | C31 | N1 | 113.1° | 120.0° |
| O33 | C31 | N1 | 124.5° | 120.0° |
| C31 | N1 | C2 | 129.7° | 120.0° |
| C31 | N1 | H1 | 115.1° | 120.0° |
| O65 | C60 | C61 | 117.2° | 120.2° |
| O65 | C60 | C59 | 122.1° | 120.1° |
| C60 | O65 | H61 | 109.5° | 114.0° |
| N1 | C2 | C3 | 111.6° | 109.5° |
| N1 | C2 | C4 | 106.5° | 109.5° |
| C2 | N1 | H1 | 115.2° | 120.0° |
| N1 | C2 | H17 | 108.8° | 109.4° |
| C7 | C3 | C2 | 109.3° | 109.4° |
| C7 | C3 | C6 | 108.2° | 109.4° |
| C7 | C3 | C5 | 108.3° | 109.5° |
| C3 | C7 | H8 | 109.5° | 109.5° |
| C3 | C7 | H9 | 109.5° | 109.5° |
| C3 | C7 | H10 | 109.4° | 109.5° |
| C60 | C61 | C62 | 120.1° | 120.1° |
| C61 | C60 | C59 | 120.5° | 119.7° |
| C60 | C61 | H57 | 119.9° | 119.9° |
| C61 | C62 | C63 | 120.1° | 120.3° |
| C62 | C61 | H57 | 120.0° | 120.0° |
| C61 | C62 | H58 | 119.9° | 119.9° |
| C60 | C59 | C54 | 121.9° | 120.1° |
| C60 | C59 | C64 | 118.0° | 119.7° |
| N55 | N56 | C57 | 120.8° | 122.3° |
| N56 | N55 | C54 | 120.5° | 122.3° |
| N56 | C57 | N58 | 114.0° | 120.1° |
| N56 | C57 | C52 | 120.9° | 119.8° |
| N55 | C54 | C59 | 116.6° | 120.1° |
| N55 | C54 | C53 | 121.5° | 119.9° |
| C3 | C2 | C4 | 114.5° | 109.5° |
| C2 | C3 | C6 | 110.8° | 109.5° |
| C2 | C3 | C5 | 111.7° | 109.5° |
| C3 | C2 | H17 | 107.5° | 109.5° |
| C2 | C4 | O9 | 119.2° | 120.0° |
| C2 | C4 | N8 | 119.2° | 120.0° |
| C4 | C2 | H17 | 107.8° | 109.4° |
| C6 | C3 | C5 | 108.4° | 109.5° |
| C3 | C6 | H5 | 109.5° | 109.5° |
| C3 | C6 | H6 | 109.4° | 109.5° |
| C3 | C6 | H7 | 109.5° | 109.5° |
| C3 | C5 | H2 | 109.5° | 109.5° |
| C3 | C5 | H3 | 109.4° | 109.4° |
| C3 | C5 | H4 | 109.5° | 109.4° |
| C62 | C63 | C64 | 120.1° | 120.2° |
| C63 | C62 | H58 | 120.0° | 119.8° |
| C62 | C63 | H59 | 119.9° | 119.8° |
| N58 | C57 | C52 | 125.1° | 120.1° |
| C57 | N58 | H55 | 109.5° | 120.0° |
| C57 | N58 | H56 | 109.4° | 120.0° |
| C54 | C59 | C64 | 120.0° | 120.2° |
| C59 | C54 | C53 | 122.0° | 120.1° |
| C59 | C64 | C63 | 121.1° | 120.0° |
| C59 | C64 | H60 | 119.4° | 120.0° |
| C57 | C52 | C53 | 116.7° | 117.8° |
| C57 | C52 | N49 | 122.5° | 121.1° |
| C54 | C53 | C52 | 119.5° | 117.9° |
| C54 | C53 | H54 | 120.2° | 121.1° |
| O9 | C4 | N8 | 121.1° | 120.0° |
| C4 | N8 | C13 | 128.6° | 125.7° |
| C4 | N8 | C10 | 119.4° | 125.6° |
| C64 | C63 | H59 | 119.9° | 120.0° |
| C63 | C64 | H60 | 119.4° | 120.0° |
| C53 | C52 | N49 | 120.7° | 121.1° |
| C52 | C53 | H54 | 120.3° | 121.0° |
| C52 | N49 | C50 | 117.1° | 111.0° |
| C52 | N49 | C48 | 117.6° | 111.0° |
| O14 | C12 | C13 | 112.0° | 111.0° |
| O14 | C12 | C11 | 109.8° | 111.0° |
| O14 | C12 | H20 | 111.4° | 111.0° |
| C12 | O14 | H21 | 109.5° | 114.0° |
| N49 | C50 | C51 | 111.0° | 109.4° |
| C50 | N49 | C48 | 114.7° | 110.9° |
| N49 | C50 | H50 | 109.1° | 109.5° |
| N49 | C50 | H51 | 109.1° | 109.5° |
| C50 | C51 | N46 | 110.3° | 109.4° |
| C51 | C50 | H50 | 109.1° | 109.5° |
| C51 | C50 | H51 | 109.1° | 109.6° |
| C50 | C51 | H52 | 109.3° | 109.5° |
| C50 | C51 | H53 | 109.2° | 109.5° |
| N8 | C13 | C12 | 102.9° | 104.8° |
| C13 | N8 | C10 | 112.0° | 108.7° |
| N8 | C13 | H12 | 111.1° | 110.4° |
| N8 | C13 | H13 | 111.1° | 110.3° |
| C13 | C12 | C11 | 103.2° | 101.6° |
| C12 | C13 | H12 | 111.1° | 110.4° |
| C12 | C13 | H13 | 111.1° | 110.4° |
| C13 | C12 | H20 | 110.1° | 111.0° |
| N8 | C10 | C11 | 103.5° | 107.2° |
| N8 | C10 | C15 | 113.4° | 109.9° |
| N8 | C10 | H11 | 110.2° | 110.1° |
| N49 | C48 | C47 | 110.8° | 109.3° |
| N49 | C48 | H48 | 109.1° | 109.5° |
| N49 | C48 | H49 | 109.1° | 109.5° |
| C12 | C11 | C10 | 103.9° | 103.0° |
| C12 | C11 | H18 | 110.8° | 110.7° |
| C12 | C11 | H19 | 110.8° | 110.9° |
| C11 | C12 | H20 | 110.1° | 111.0° |
| C51 | N46 | C47 | 108.3° | 110.9° |
| C51 | N46 | C45 | 111.0° | 111.0° |
| N46 | C51 | H52 | 109.2° | 109.5° |
| N46 | C51 | H53 | 109.2° | 109.5° |
| C11 | C10 | C15 | 110.7° | 109.9° |
| C11 | C10 | H11 | 109.3° | 109.9° |
| C10 | C11 | H18 | 110.9° | 110.7° |
| C10 | C11 | H19 | 110.8° | 110.7° |
| C10 | C15 | O16 | 121.0° | 120.0° |
| C10 | C15 | N17 | 115.7° | 120.0° |
| C15 | C10 | H11 | 109.5° | 109.9° |
| C48 | C47 | N46 | 109.9° | 109.4° |
| C48 | C47 | H46 | 109.3° | 109.5° |
| C48 | C47 | H47 | 109.4° | 109.5° |
| C47 | C48 | H48 | 109.1° | 109.5° |
| C47 | C48 | H49 | 109.2° | 109.5° |
| C47 | N46 | C45 | 113.6° | 111.0° |
| N46 | C47 | H46 | 109.4° | 109.5° |
| N46 | C47 | H47 | 109.4° | 109.5° |
| N46 | C45 | C44 | 116.1° | 109.5° |
| N46 | C45 | H43 | 107.8° | 109.4° |
| N46 | C45 | H44 | 107.8° | 109.4° |
| O16 | C15 | N17 | 123.2° | 120.0° |
| C15 | N17 | C18 | 121.8° | 120.0° |
| C15 | N17 | H22 | 119.1° | 120.0° |
| C45 | C44 | O42 | 111.3° | 109.5° |
| C45 | C44 | H41 | 109.0° | 109.4° |
| C45 | C44 | H42 | 109.0° | 109.4° |
| C44 | C45 | H43 | 107.8° | 109.5° |
| C44 | C45 | H44 | 107.8° | 109.5° |
| N17 | C18 | C19 | 113.7° | 109.5° |
| C18 | N17 | H22 | 119.1° | 120.0° |
| N17 | C18 | H23 | 108.4° | 109.5° |
| N17 | C18 | H24 | 108.4° | 109.5° |
| C18 | C19 | C24 | 122.2° | 119.9° |
| C18 | C19 | C20 | 119.5° | 119.9° |
| C19 | C18 | H23 | 108.4° | 109.5° |
| C19 | C18 | H24 | 108.4° | 109.4° |
| C44 | O42 | C41 | 111.5° | 114.0° |
| O42 | C44 | H41 | 109.0° | 109.5° |
| O42 | C44 | H42 | 109.0° | 109.6° |
| O42 | C41 | C40 | 112.4° | 109.5° |
| O42 | C41 | H37 | 108.8° | 109.4° |
| O42 | C41 | H38 | 108.7° | 109.5° |
| C24 | C19 | C20 | 118.3° | 120.3° |
| C19 | C24 | C23 | 121.1° | 120.2° |
| C19 | C24 | H15 | 119.5° | 119.9° |
| C19 | C20 | O37 | 114.4° | 120.0° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C41 | C40 | O39 | 113.0° | 109.5° |
| C41 | C40 | H35 | 108.6° | 109.5° |
| C41 | C40 | H36 | 108.6° | 109.5° |
| C40 | C41 | H37 | 108.7° | 109.5° |
| C40 | C41 | H38 | 108.7° | 109.5° |
| C24 | C23 | C22 | 120.5° | 120.0° |
| C23 | C24 | H15 | 119.5° | 119.9° |
| C24 | C23 | H25 | 119.7° | 120.0° |
| C40 | O39 | C43 | 112.5° | 114.0° |
| O39 | C40 | H35 | 108.6° | 109.5° |
| O39 | C40 | H36 | 108.6° | 109.5° |
| O39 | C43 | C38 | 112.8° | 109.5° |
| O39 | C43 | H39 | 108.6° | 109.5° |
| O39 | C43 | H40 | 108.6° | 109.5° |
| C20 | O37 | C38 | 120.9° | 117.0° |
| O37 | C20 | C21 | 124.7° | 120.0° |
| O37 | C38 | C43 | 108.9° | 109.4° |
| O37 | C38 | H33 | 109.6° | 109.4° |
| O37 | C38 | H34 | 109.6° | 109.4° |
| C20 | C21 | C22 | 120.3° | 119.8° |
| C20 | C21 | H14 | 119.9° | 120.1° |
| C23 | C22 | C21 | 119.1° | 119.8° |
| C23 | C22 | C25 | 120.9° | 120.1° |
| C22 | C23 | H25 | 119.8° | 120.0° |
| C43 | C38 | H33 | 109.6° | 109.5° |
| C43 | C38 | H34 | 109.6° | 109.5° |
| C38 | C43 | H39 | 108.6° | 109.5° |
| C38 | C43 | H40 | 108.6° | 109.5° |
| C21 | C22 | C25 | 120.0° | 120.1° |
| C22 | C21 | H14 | 119.9° | 120.1° |
| C22 | C25 | S29 | 119.4° | 126.1° |
| C22 | C25 | C26 | 130.9° | 126.1° |
| S29 | C25 | C26 | 109.6° | 107.8° |
| C25 | S29 | C28 | 89.1° | 90.3° |
| C25 | C26 | C30 | 127.2° | 122.9° |
| C25 | C26 | N27 | 114.7° | 114.2° |
| S29 | C28 | N27 | 115.8° | 110.4° |
| S29 | C28 | H16 | 122.1° | 124.8° |
| C30 | C26 | N27 | 118.1° | 122.9° |
| C26 | C30 | H26 | 109.5° | 109.5° |
| C26 | C30 | H27 | 109.5° | 109.4° |
| C26 | C30 | H28 | 109.5° | 109.5° |
| C26 | N27 | C28 | 110.7° | 117.3° |
| N27 | C28 | H16 | 122.1° | 124.8° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.4° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.4° | 109.5° |
| H8 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 110.4° |
| H18 | C11 | H19 | 109.5° | 110.7° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.5° | 115.5° |
| H31 | C36 | H32 | 109.4° | 115.6° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.4° |
| H37 | C41 | H38 | 109.5° | 109.5° |
| H39 | C43 | H40 | 109.5° | 109.4° |
| H41 | C44 | H42 | 109.5° | 109.5° |
| H43 | C45 | H44 | 109.5° | 109.5° |
| H46 | C47 | H47 | 109.5° | 109.4° |
| H48 | C48 | H49 | 109.5° | 109.5° |
| H50 | C50 | H51 | 109.5° | 109.5° |
| H52 | C51 | H53 | 109.5° | 109.5° |
| H55 | N58 | H56 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C32 | H29 | 109.3° | 107.5° |
| C36 | C35 | C32 | H30 | 109.3° | 107.5° |
| C35 | C36 | C32 | H31 | 109.3° | 107.4° |
| C35 | C36 | C32 | H32 | 109.3° | 107.4° |
| C36 | C35 | C32 | F34 | 105.9° | 107.5° |
| C36 | C35 | C32 | C31 | 113.0° | 107.5° |
| C36 | C35 | H29 | H30 | 145.1° | 145.7° |
| C35 | C36 | H31 | H32 | 145.1° | 145.6° |
| C35 | C32 | F34 | C31 | 144.7° | 145.7° |
| C35 | C32 | C31 | O33 | 49.9° | 4.9° |
| C35 | C32 | C31 | N1 | 129.5° | 175.1° |
| C32 | C35 | H29 | H30 | 145.1° | 145.7° |
| C36 | C32 | F34 | C31 | 147.0° | 145.7° |
| C36 | C32 | C31 | O33 | 24.4° | 63.8° |
| C36 | C32 | C31 | N1 | 156.3° | 116.3° |
| C32 | C36 | H31 | H32 | 145.1° | 145.8° |
| F34 | C32 | C31 | O33 | 168.3° | 150.5° |
| F34 | C32 | C31 | N1 | 12.4° | 29.4° |
| F34 | C32 | C35 | H29 | 144.8° | 0.0° |
| F34 | C32 | C35 | H30 | 3.4° | 145.0° |
| F34 | C32 | C36 | H31 | 3.7° | 145.1° |
| F34 | C32 | C36 | H32 | 145.1° | 0.1° |
| C32 | C31 | O33 | N1 | 179.2° | 180.0° |
| C32 | C31 | N1 | C2 | 172.4° | 180.0° |
| C32 | C31 | N1 | H1 | 7.6° | 0.3° |
| C31 | C32 | C35 | H29 | 3.7° | 145.1° |
| C31 | C32 | C35 | H30 | 137.7° | 0.0° |
| C31 | C32 | C36 | H31 | 139.5° | 0.1° |
| C31 | C32 | C36 | H32 | 1.9° | 145.1° |
| O33 | C31 | N1 | C2 | 6.9° | 0.0° |
| O33 | C31 | N1 | H1 | 173.1° | 179.8° |
| C31 | N1 | C2 | H1 | 180.0° | 179.7° |
| C31 | N1 | C2 | C3 | 111.7° | 85.2° |
| C31 | N1 | C2 | C4 | 122.6° | 154.7° |
| C31 | N1 | C2 | H17 | 6.7° | 34.8° |
| O65 | C60 | C61 | C59 | 174.5° | 180.0° |
| O65 | C60 | C61 | C62 | 176.8° | 180.0° |
| O65 | C60 | C59 | C54 | 2.2° | 0.1° |
| O65 | C60 | C59 | C64 | 176.2° | 179.8° |
| O65 | C60 | C61 | H57 | 3.1° | 0.0° |
| N1 | C2 | C3 | C7 | 68.0° | 60.5° |
| N1 | C2 | C3 | C4 | 121.1° | 120.0° |
| N1 | C2 | C3 | H17 | 119.3° | 120.0° |
| N1 | C2 | C4 | H17 | 116.6° | 119.9° |
| N1 | C2 | C3 | C6 | 51.1° | 179.6° |
| N1 | C2 | C3 | C5 | 172.2° | 59.5° |
| N1 | C2 | C4 | O9 | 36.8° | 34.2° |
| N1 | C2 | C4 | N8 | 135.7° | 145.9° |
| C7 | C3 | C2 | C6 | 119.1° | 120.0° |
| C7 | C3 | C2 | C5 | 119.8° | 120.0° |
| C7 | C3 | C2 | C4 | 171.0° | 59.6° |
| C7 | C3 | C6 | C5 | 117.2° | 120.0° |
| C7 | C3 | C5 | H2 | 180.0° | 60.0° |
| C7 | C3 | C5 | H3 | 60.0° | 180.0° |
| C7 | C3 | C5 | H4 | 60.0° | 60.1° |
| C7 | C3 | C6 | H5 | 180.0° | 64.6° |
| C7 | C3 | C6 | H6 | 60.0° | 175.4° |
| C7 | C3 | C6 | H7 | 60.0° | 55.3° |
| C3 | C7 | H8 | H9 | 120.0° | 120.0° |
| C3 | C7 | H8 | H10 | 120.0° | 120.0° |
| C3 | C7 | H9 | H10 | 120.0° | 120.0° |
| C7 | C3 | C2 | H17 | 51.3° | 179.6° |
| C60 | C61 | C62 | H57 | 180.0° | 180.0° |
| C60 | C61 | C62 | C63 | 0.8° | 0.0° |
| C61 | C60 | C59 | C54 | 176.5° | 180.0° |
| C61 | C60 | C59 | C64 | 1.9° | 0.2° |
| C60 | C61 | C62 | H58 | 179.2° | 180.0° |
| C61 | C60 | O65 | H61 | 180.0° | 90.0° |
| C62 | C61 | C60 | C59 | 2.3° | 0.0° |
| C61 | C62 | C63 | H58 | 180.0° | 180.0° |
| C61 | C62 | C63 | C64 | 1.2° | 0.3° |
| C61 | C62 | C63 | H59 | 178.8° | 179.9° |
| C60 | C59 | C54 | N55 | 0.6° | 0.3° |
| C60 | C59 | C54 | C64 | 178.3° | 179.7° |
| C60 | C59 | C54 | C53 | 179.4° | 179.7° |
| C60 | C59 | C64 | C63 | 0.0° | 0.5° |
| C59 | C60 | C61 | H57 | 177.6° | 180.0° |
| C60 | C59 | C64 | H60 | 180.0° | 179.7° |
| C59 | C60 | O65 | H61 | 5.6° | 90.0° |
| N55 | N56 | C57 | N58 | 177.5° | 179.9° |
| N56 | N55 | C54 | C59 | 179.0° | 180.0° |
| N55 | N56 | C57 | C52 | 2.0° | 0.6° |
| N56 | N55 | C54 | C53 | 0.9° | 0.0° |
| C57 | N56 | N55 | C54 | 2.7° | 0.4° |
| N56 | C57 | N58 | C52 | 179.5° | 179.4° |
| N56 | C57 | C52 | C53 | 0.3° | 0.6° |
| N56 | C57 | C52 | N49 | 179.7° | 179.7° |
| N56 | C57 | N58 | H55 | 0.0° | 0.0° |
| N56 | C57 | N58 | H56 | 120.0° | 179.9° |
| N55 | C54 | C59 | C53 | 179.9° | 180.0° |
| N55 | C54 | C59 | C64 | 178.9° | 180.0° |
| N55 | C54 | C53 | C52 | 1.4° | 0.0° |
| N55 | C54 | C53 | H54 | 178.6° | 180.0° |
| C3 | C2 | C4 | H17 | 119.5° | 120.0° |
| C2 | C3 | C6 | C5 | 123.0° | 120.1° |
| C3 | C2 | C4 | O9 | 87.1° | 85.9° |
| C3 | C2 | C4 | N8 | 100.5° | 94.1° |
| C3 | C2 | N1 | H1 | 68.3° | 95.0° |
| C2 | C3 | C5 | H2 | 59.6° | 180.0° |
| C2 | C3 | C5 | H3 | 60.4° | 60.0° |
| C2 | C3 | C5 | H4 | 179.6° | 59.9° |
| C2 | C3 | C6 | H5 | 60.2° | 55.3° |
| C2 | C3 | C6 | H6 | 179.8° | 64.7° |
| C2 | C3 | C6 | H7 | 59.8° | 175.3° |
| C2 | C3 | C7 | H8 | 180.0° | 60.0° |
| C2 | C3 | C7 | H9 | 60.0° | 180.0° |
| C2 | C3 | C7 | H10 | 60.0° | 60.0° |
| C4 | C2 | C3 | C6 | 69.9° | 60.4° |
| C4 | C2 | C3 | C5 | 51.1° | 179.6° |
| C2 | C4 | O9 | N8 | 172.3° | 179.9° |
| C2 | C4 | N8 | C13 | 3.6° | 5.5° |
| C2 | C4 | N8 | C10 | 175.6° | 174.7° |
| C4 | C2 | N1 | H1 | 57.4° | 25.0° |
| C6 | C3 | C5 | H2 | 62.9° | 60.0° |
| C6 | C3 | C5 | H3 | 177.1° | 60.1° |
| C6 | C3 | C5 | H4 | 57.1° | 180.0° |
| C3 | C6 | H5 | H6 | 120.0° | 120.0° |
| C3 | C6 | H5 | H7 | 120.0° | 120.0° |
| C3 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | C3 | C7 | H8 | 59.2° | 60.0° |
| C6 | C3 | C7 | H9 | 179.2° | 60.0° |
| C6 | C3 | C7 | H10 | 60.8° | 180.0° |
| C6 | C3 | C2 | H17 | 170.4° | 59.6° |
| C3 | C5 | H2 | H3 | 120.0° | 120.0° |
| C3 | C5 | H2 | H4 | 120.0° | 120.0° |
| C3 | C5 | H3 | H4 | 120.0° | 119.9° |
| C5 | C3 | C6 | H5 | 62.8° | 175.4° |
| C5 | C3 | C6 | H6 | 57.2° | 55.4° |
| C5 | C3 | C6 | H7 | 177.2° | 64.6° |
| C5 | C3 | C7 | H8 | 58.1° | 180.0° |
| C5 | C3 | C7 | H9 | 61.9° | 59.9° |
| C5 | C3 | C7 | H10 | 178.1° | 60.0° |
| C5 | C3 | C2 | H17 | 68.5° | 60.4° |
| C62 | C63 | C64 | C59 | 1.6° | 0.5° |
| C62 | C63 | C64 | H59 | 180.0° | 179.8° |
| C63 | C62 | C61 | H57 | 179.2° | 180.0° |
| C62 | C63 | C64 | H60 | 178.4° | 179.7° |
| N58 | C57 | C52 | C53 | 179.7° | 180.0° |
| N58 | C57 | C52 | N49 | 0.8° | 0.3° |
| C57 | N58 | H55 | H56 | 120.0° | 179.9° |
| C54 | C59 | C64 | C63 | 178.4° | 179.8° |
| C59 | C54 | C53 | C52 | 178.6° | 180.0° |
| C59 | C54 | C53 | H54 | 1.4° | 0.0° |
| C54 | C59 | C64 | H60 | 1.6° | 0.0° |
| C64 | C59 | C54 | C53 | 1.0° | 0.0° |
| C59 | C64 | C63 | H60 | 180.0° | 179.8° |
| C59 | C64 | C63 | H59 | 178.4° | 179.7° |
| C57 | C52 | C53 | C54 | 2.0° | 0.3° |
| C57 | C52 | C53 | N49 | 179.5° | 179.7° |
| C57 | C52 | N49 | C50 | 70.1° | 116.5° |
| C57 | C52 | N49 | C48 | 72.7° | 119.7° |
| C57 | C52 | C53 | H54 | 178.0° | 179.7° |
| C52 | C57 | N58 | H55 | 179.5° | 179.4° |
| C52 | C57 | N58 | H56 | 60.5° | 0.5° |
| C54 | C53 | C52 | H54 | 180.0° | 180.0° |
| C54 | C53 | C52 | N49 | 178.6° | 180.0° |
| O9 | C4 | N8 | C13 | 175.9° | 174.6° |
| O9 | C4 | N8 | C10 | 3.3° | 5.2° |
| O9 | C4 | C2 | H17 | 153.4° | 154.1° |
| C4 | N8 | C13 | C10 | 179.3° | 179.8° |
| C4 | N8 | C13 | C12 | 158.6° | 156.0° |
| C4 | N8 | C10 | C11 | 178.2° | 179.0° |
| C4 | N8 | C10 | C15 | 58.1° | 59.7° |
| C4 | N8 | C10 | H11 | 65.0° | 61.5° |
| C4 | N8 | C13 | H12 | 39.7° | 85.2° |
| C4 | N8 | C13 | H13 | 82.4° | 37.1° |
| N8 | C4 | C2 | H17 | 19.1° | 26.0° |
| C64 | C63 | C62 | H58 | 178.8° | 179.7° |
| C53 | C52 | N49 | C50 | 109.4° | 63.8° |
| C53 | C52 | N49 | C48 | 107.8° | 60.0° |
| C52 | N49 | C50 | C48 | 143.8° | 123.8° |
| C52 | N49 | C50 | C51 | 167.8° | 176.9° |
| C52 | N49 | C48 | C47 | 167.2° | 176.8° |
| C52 | N49 | C48 | H48 | 47.0° | 63.2° |
| C52 | N49 | C48 | H49 | 72.5° | 56.9° |
| C52 | N49 | C50 | H50 | 72.0° | 63.2° |
| C52 | N49 | C50 | H51 | 47.6° | 56.8° |
| N49 | C52 | C53 | H54 | 1.4° | 0.0° |
| O14 | C12 | C13 | N8 | 82.7° | 155.1° |
| O14 | C12 | C13 | C11 | 118.0° | 118.0° |
| O14 | C12 | C13 | H20 | 124.5° | 123.9° |
| O14 | C12 | C11 | H20 | 123.0° | 123.9° |
| O14 | C12 | C11 | C10 | 82.2° | 153.5° |
| O14 | C12 | C13 | H12 | 36.2° | 36.2° |
| O14 | C12 | C13 | H13 | 158.4° | 86.2° |
| O14 | C12 | C11 | H18 | 37.0° | 88.1° |
| O14 | C12 | C11 | H19 | 158.7° | 35.1° |
| N49 | C50 | C51 | H50 | 120.2° | 120.0° |
| N49 | C50 | C51 | H51 | 120.2° | 120.0° |
| N49 | C50 | C51 | N46 | 54.7° | 58.4° |
| C50 | N49 | C48 | C47 | 49.1° | 59.3° |
| C50 | N49 | C48 | H48 | 169.3° | 60.6° |
| C50 | N49 | C48 | H49 | 71.1° | 179.3° |
| N49 | C50 | H50 | H51 | 119.3° | 120.0° |
| N49 | C50 | C51 | H52 | 174.9° | 61.6° |
| N49 | C50 | C51 | H53 | 65.3° | 178.4° |
| C51 | C50 | N49 | C48 | 48.3° | 59.3° |
| C50 | C51 | N46 | H52 | 120.1° | 120.0° |
| C50 | C51 | N46 | H53 | 120.1° | 120.0° |
| C50 | C51 | N46 | C47 | 62.9° | 59.3° |
| C50 | C51 | N46 | C45 | 171.7° | 176.8° |
| C51 | C50 | H50 | H51 | 119.3° | 120.1° |
| C50 | C51 | H52 | H53 | 119.6° | 120.1° |
| N8 | C13 | C12 | H12 | 118.9° | 118.9° |
| N8 | C13 | C12 | H13 | 118.9° | 118.8° |
| N8 | C13 | C12 | C11 | 35.3° | 37.1° |
| C13 | N8 | C10 | C11 | 2.5° | 1.1° |
| C13 | N8 | C10 | C15 | 122.5° | 120.5° |
| C13 | N8 | C10 | H11 | 114.3° | 118.4° |
| N8 | C13 | H12 | H13 | 123.1° | 122.3° |
| N8 | C13 | C12 | H20 | 152.8° | 81.0° |
| C12 | C13 | N8 | C10 | 20.6° | 24.2° |
| C13 | C12 | C11 | H20 | 117.5° | 118.1° |
| C13 | C12 | C11 | C10 | 37.4° | 35.5° |
| C12 | C13 | H12 | H13 | 123.1° | 122.3° |
| C13 | C12 | C11 | H18 | 156.5° | 153.9° |
| C13 | C12 | C11 | H19 | 81.8° | 82.9° |
| C13 | C12 | O14 | H21 | 180.0° | 61.6° |
| N8 | C10 | C11 | C12 | 24.7° | 22.2° |
| N8 | C10 | C11 | C15 | 121.9° | 119.4° |
| N8 | C10 | C11 | H11 | 117.4° | 119.6° |
| N8 | C10 | C15 | H11 | 123.6° | 121.2° |
| N8 | C10 | C15 | O16 | 28.8° | 0.8° |
| N8 | C10 | C15 | N17 | 153.1° | 179.2° |
| C10 | N8 | C13 | H12 | 139.5° | 94.7° |
| C10 | N8 | C13 | H13 | 98.3° | 143.0° |
| N8 | C10 | C11 | H18 | 143.8° | 140.5° |
| N8 | C10 | C11 | H19 | 94.5° | 96.4° |
| N49 | C48 | C47 | H48 | 120.2° | 120.0° |
| N49 | C48 | C47 | H49 | 120.2° | 120.0° |
| N49 | C48 | C47 | N46 | 56.2° | 58.4° |
| N49 | C48 | C47 | H46 | 63.8° | 178.4° |
| N49 | C48 | C47 | H47 | 176.3° | 61.6° |
| N49 | C48 | H48 | H49 | 119.3° | 120.1° |
| C48 | N49 | C50 | H50 | 71.9° | 60.7° |
| C48 | N49 | C50 | H51 | 168.6° | 179.4° |
| C12 | C11 | C10 | H18 | 119.1° | 118.3° |
| C12 | C11 | C10 | H19 | 119.1° | 118.5° |
| C12 | C11 | C10 | C15 | 146.5° | 97.2° |
| C12 | C11 | C10 | H11 | 92.8° | 141.8° |
| C11 | C12 | C13 | H12 | 154.2° | 81.8° |
| C11 | C12 | C13 | H13 | 83.7° | 155.8° |
| C12 | C11 | H18 | H19 | 122.6° | 123.3° |
| C11 | C12 | O14 | H21 | 66.0° | 173.7° |
| C51 | N46 | C47 | C48 | 63.6° | 59.3° |
| C51 | N46 | C47 | C45 | 123.8° | 123.9° |
| C51 | N46 | C45 | C44 | 156.9° | 160.4° |
| C51 | N46 | C45 | H43 | 82.1° | 79.6° |
| C51 | N46 | C45 | H44 | 36.0° | 40.4° |
| C51 | N46 | C47 | H46 | 56.4° | 179.3° |
| C51 | N46 | C47 | H47 | 176.3° | 60.7° |
| N46 | C51 | C50 | H50 | 65.5° | 61.6° |
| N46 | C51 | C50 | H51 | 175.0° | 178.4° |
| N46 | C51 | H52 | H53 | 119.6° | 120.0° |
| C11 | C10 | C15 | H11 | 120.6° | 121.0° |
| C11 | C10 | C15 | O16 | 87.0° | 118.5° |
| C11 | C10 | C15 | N17 | 91.1° | 61.5° |
| C10 | C11 | H18 | H19 | 122.6° | 123.2° |
| C10 | C11 | C12 | H20 | 154.8° | 82.6° |
| C10 | C15 | O16 | N17 | 177.9° | 180.0° |
| C10 | C15 | N17 | C18 | 171.3° | 180.0° |
| C15 | C10 | C11 | H18 | 94.3° | 21.1° |
| C15 | C10 | C11 | H19 | 27.4° | 144.3° |
| C10 | C15 | N17 | H22 | 8.7° | 0.0° |
| C48 | C47 | N46 | H46 | 120.0° | 119.9° |
| C48 | C47 | N46 | H47 | 120.1° | 120.0° |
| C48 | C47 | N46 | C45 | 172.6° | 176.8° |
| C48 | C47 | H46 | H47 | 119.8° | 120.0° |
| C47 | C48 | H48 | H49 | 119.4° | 120.1° |
| C47 | N46 | C45 | C44 | 34.6° | 75.8° |
| C47 | N46 | C45 | H43 | 155.6° | 44.2° |
| C47 | N46 | C45 | H44 | 86.4° | 164.2° |
| N46 | C47 | H46 | H47 | 119.8° | 120.1° |
| N46 | C47 | C48 | H48 | 176.4° | 61.6° |
| N46 | C47 | C48 | H49 | 64.0° | 178.4° |
| C47 | N46 | C51 | H52 | 176.9° | 60.7° |
| C47 | N46 | C51 | H53 | 57.2° | 179.3° |
| N46 | C45 | C44 | H43 | 121.0° | 119.9° |
| N46 | C45 | C44 | H44 | 121.0° | 120.0° |
| N46 | C45 | C44 | O42 | 74.1° | 62.7° |
| N46 | C45 | C44 | H41 | 165.6° | 57.2° |
| N46 | C45 | C44 | H42 | 46.1° | 177.2° |
| N46 | C45 | H43 | H44 | 117.0° | 120.0° |
| C45 | N46 | C47 | H46 | 67.4° | 56.8° |
| C45 | N46 | C47 | H47 | 52.5° | 63.2° |
| C45 | N46 | C51 | H52 | 51.5° | 63.2° |
| C45 | N46 | C51 | H53 | 68.2° | 56.8° |
| O16 | C15 | N17 | C18 | 6.7° | 0.0° |
| O16 | C15 | C10 | H11 | 152.4° | 120.4° |
| O16 | C15 | N17 | H22 | 173.3° | 180.0° |
| C15 | N17 | C18 | H22 | 180.0° | 180.0° |
| C15 | N17 | C18 | C19 | 101.3° | 180.0° |
| N17 | C15 | C10 | H11 | 29.5° | 59.5° |
| C15 | N17 | C18 | H23 | 19.3° | 60.0° |
| C15 | N17 | C18 | H24 | 138.1° | 60.0° |
| C45 | C44 | O42 | H41 | 120.3° | 120.0° |
| C45 | C44 | O42 | H42 | 120.2° | 120.0° |
| C45 | C44 | O42 | C41 | 158.1° | 179.9° |
| C45 | C44 | H41 | H42 | 119.2° | 119.9° |
| C44 | C45 | H43 | H44 | 117.0° | 120.1° |
| N17 | C18 | C19 | H23 | 120.6° | 120.0° |
| N17 | C18 | C19 | H24 | 120.6° | 120.0° |
| N17 | C18 | C19 | C24 | 15.0° | 100.0° |
| N17 | C18 | C19 | C20 | 162.8° | 80.0° |
| N17 | C18 | H23 | H24 | 118.1° | 120.0° |
| C18 | C19 | C24 | C20 | 177.8° | 179.9° |
| C18 | C19 | C24 | C23 | 180.0° | 180.0° |
| C18 | C19 | C20 | O37 | 2.6° | 0.3° |
| C18 | C19 | C20 | C21 | 178.8° | 180.0° |
| C18 | C19 | C24 | H15 | 0.0° | 0.1° |
| C19 | C18 | N17 | H22 | 78.7° | 0.0° |
| C19 | C18 | H23 | H24 | 118.0° | 119.9° |
| C44 | O42 | C41 | C40 | 131.7° | 180.0° |
| C44 | O42 | C41 | H37 | 107.8° | 60.0° |
| C44 | O42 | C41 | H38 | 11.3° | 59.9° |
| O42 | C44 | H41 | H42 | 119.2° | 120.1° |
| O42 | C44 | C45 | H43 | 46.9° | 177.3° |
| O42 | C44 | C45 | H44 | 164.9° | 57.2° |
| O42 | C41 | C40 | H37 | 120.4° | 119.9° |
| O42 | C41 | C40 | H38 | 120.4° | 120.0° |
| O42 | C41 | C40 | O39 | 75.2° | 65.1° |
| O42 | C41 | C40 | H35 | 45.3° | 55.0° |
| O42 | C41 | C40 | H36 | 164.3° | 175.0° |
| O42 | C41 | H37 | H38 | 118.7° | 120.0° |
| C41 | O42 | C44 | H41 | 37.8° | 60.1° |
| C41 | O42 | C44 | H42 | 81.7° | 59.9° |
| C19 | C24 | C23 | H15 | 180.0° | 179.9° |
| C24 | C19 | C20 | O37 | 175.3° | 179.7° |
| C24 | C19 | C20 | C21 | 0.9° | 0.1° |
| C19 | C24 | C23 | C22 | 1.8° | 0.0° |
| C24 | C19 | C18 | H23 | 135.7° | 140.0° |
| C24 | C19 | C18 | H24 | 105.6° | 20.1° |
| C19 | C24 | C23 | H25 | 178.2° | 179.9° |
| C20 | C19 | C24 | C23 | 2.2° | 0.1° |
| C19 | C20 | O37 | C21 | 176.0° | 179.6° |
| C19 | C20 | O37 | C38 | 175.7° | 179.7° |
| C19 | C20 | C21 | C22 | 0.8° | 0.1° |
| C19 | C20 | C21 | H14 | 179.2° | 180.0° |
| C20 | C19 | C24 | H15 | 177.8° | 180.0° |
| C20 | C19 | C18 | H23 | 42.1° | 40.0° |
| C20 | C19 | C18 | H24 | 76.6° | 160.0° |
| C41 | C40 | O39 | H35 | 120.5° | 120.0° |
| C41 | C40 | O39 | H36 | 120.5° | 120.0° |
| C41 | C40 | O39 | C43 | 127.9° | 179.9° |
| C41 | C40 | H35 | H36 | 118.4° | 120.0° |
| C40 | C41 | H37 | H38 | 118.7° | 120.1° |
| C24 | C23 | C22 | H25 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | C25 | 178.1° | 179.9° |
| C40 | O39 | C43 | C38 | 117.1° | 180.0° |
| O39 | C40 | H35 | H36 | 118.4° | 120.0° |
| O39 | C40 | C41 | H37 | 164.4° | 175.0° |
| O39 | C40 | C41 | H38 | 45.2° | 55.0° |
| C40 | O39 | C43 | H39 | 3.4° | 60.0° |
| C40 | O39 | C43 | H40 | 122.4° | 59.9° |
| O39 | C43 | C38 | O37 | 48.9° | 65.0° |
| O39 | C43 | C38 | H39 | 120.5° | 120.0° |
| O39 | C43 | C38 | H40 | 120.5° | 120.1° |
| O39 | C43 | C38 | H33 | 71.0° | 54.9° |
| O39 | C43 | C38 | H34 | 168.8° | 175.0° |
| C43 | O39 | C40 | H35 | 111.6° | 60.0° |
| C43 | O39 | C40 | H36 | 7.4° | 60.0° |
| O39 | C43 | H39 | H40 | 118.5° | 120.0° |
| C20 | O37 | C38 | C43 | 89.5° | 180.0° |
| O37 | C20 | C21 | C22 | 176.5° | 179.7° |
| O37 | C20 | C21 | H14 | 3.5° | 0.4° |
| C20 | O37 | C38 | H33 | 150.6° | 60.1° |
| C20 | O37 | C38 | H34 | 30.4° | 60.0° |
| C38 | O37 | C20 | C21 | 0.4° | 0.1° |
| O37 | C38 | C43 | H33 | 119.9° | 119.9° |
| O37 | C38 | C43 | H34 | 119.9° | 120.0° |
| O37 | C38 | H33 | H34 | 120.2° | 120.0° |
| O37 | C38 | C43 | H39 | 71.6° | 175.0° |
| O37 | C38 | C43 | H40 | 169.4° | 55.1° |
| C20 | C21 | C22 | C23 | 1.2° | 0.0° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| C20 | C21 | C22 | C25 | 176.8° | 179.9° |
| C23 | C22 | C21 | C25 | 178.0° | 179.9° |
| C23 | C22 | C25 | S29 | 48.2° | 132.7° |
| C23 | C22 | C25 | C26 | 128.9° | 47.3° |
| C23 | C22 | C21 | H14 | 178.8° | 179.9° |
| C22 | C23 | C24 | H15 | 178.2° | 180.0° |
| C43 | C38 | H33 | H34 | 120.3° | 120.1° |
| C38 | C43 | H39 | H40 | 118.5° | 120.0° |
| C21 | C22 | C25 | S29 | 133.8° | 47.3° |
| C21 | C22 | C25 | C26 | 49.1° | 132.7° |
| C21 | C22 | C23 | H25 | 180.0° | 180.0° |
| C22 | C25 | S29 | C26 | 177.7° | 180.0° |
| C22 | C25 | S29 | C28 | 178.8° | 179.8° |
| C22 | C25 | C26 | C30 | 1.3° | 0.0° |
| C22 | C25 | C26 | N27 | 178.8° | 179.8° |
| C25 | C22 | C21 | H14 | 3.2° | 0.0° |
| C25 | C22 | C23 | H25 | 1.9° | 0.1° |
| S29 | C25 | C26 | C30 | 178.7° | 180.0° |
| S29 | C25 | C26 | N27 | 1.4° | 0.2° |
| C25 | S29 | C28 | N27 | 0.6° | 0.1° |
| C25 | S29 | C28 | H16 | 179.4° | 179.9° |
| C26 | C25 | S29 | C28 | 1.1° | 0.2° |
| C25 | C26 | C30 | N27 | 179.9° | 179.8° |
| C25 | C26 | N27 | C28 | 1.0° | 0.2° |
| C25 | C26 | C30 | H26 | 179.9° | 84.5° |
| C25 | C26 | C30 | H27 | 59.9° | 35.5° |
| C25 | C26 | C30 | H28 | 60.1° | 155.5° |
| S29 | C28 | N27 | C26 | 0.1° | 0.1° |
| S29 | C28 | N27 | H16 | 180.0° | 179.9° |
| C30 | C26 | N27 | C28 | 179.1° | 180.0° |
| C26 | C30 | H26 | H27 | 120.0° | 120.0° |
| C26 | C30 | H26 | H28 | 120.0° | 120.0° |
| C26 | C30 | H27 | H28 | 120.0° | 120.0° |
| C26 | N27 | C28 | H16 | 179.9° | 180.0° |
| N27 | C26 | C30 | H26 | 0.0° | 95.2° |
| N27 | C26 | C30 | H27 | 120.0° | 144.8° |
| N27 | C26 | C30 | H28 | 120.0° | 24.8° |
| H1 | N1 | C2 | H17 | 173.3° | 145.0° |
| H2 | C5 | H3 | H4 | 120.0° | 120.0° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| H11 | C10 | C11 | H18 | 26.3° | 99.9° |
| H11 | C10 | C11 | H19 | 148.1° | 23.3° |
| H12 | C13 | C12 | H20 | 88.3° | 160.1° |
| H13 | C13 | C12 | H20 | 33.8° | 37.8° |
| H15 | C24 | C23 | H25 | 1.7° | 0.0° |
| H18 | C11 | C12 | H20 | 86.0° | 35.8° |
| H19 | C11 | C12 | H20 | 35.7° | 159.0° |
| H20 | C12 | O14 | H21 | 56.2° | 62.4° |
| H22 | N17 | C18 | H23 | 160.7° | 120.0° |
| H22 | N17 | C18 | H24 | 41.9° | 120.0° |
| H26 | C30 | H27 | H28 | 120.0° | 120.0° |
| H29 | C35 | C36 | H31 | 141.4° | 145.0° |
| H29 | C35 | C36 | H32 | 0.0° | 0.0° |
| H30 | C35 | C36 | H31 | 0.0° | 0.0° |
| H30 | C35 | C36 | H32 | 141.4° | 145.0° |
| H33 | C38 | C43 | H39 | 168.5° | 65.1° |
| H33 | C38 | C43 | H40 | 49.5° | 175.0° |
| H34 | C38 | C43 | H39 | 48.3° | 55.0° |
| H34 | C38 | C43 | H40 | 70.7° | 64.9° |
| H35 | C40 | C41 | H37 | 75.1° | 65.0° |
| H35 | C40 | C41 | H38 | 165.8° | 175.0° |
| H36 | C40 | C41 | H37 | 43.9° | 55.0° |
| H36 | C40 | C41 | H38 | 75.3° | 65.0° |
| H41 | C44 | C45 | H43 | 73.4° | 62.7° |
| H41 | C44 | C45 | H44 | 44.7° | 177.2° |
| H42 | C44 | C45 | H43 | 167.1° | 57.2° |
| H42 | C44 | C45 | H44 | 74.8° | 62.8° |
| H46 | C47 | C48 | H48 | 56.4° | 58.4° |
| H46 | C47 | C48 | H49 | 176.0° | 61.6° |
| H47 | C47 | C48 | H48 | 63.5° | 178.4° |
| H47 | C47 | C48 | H49 | 56.1° | 58.4° |
| H50 | C50 | C51 | H52 | 54.6° | 178.5° |
| H50 | C50 | C51 | H53 | 174.4° | 58.4° |
| H51 | C50 | C51 | H52 | 64.9° | 58.4° |
| H51 | C50 | C51 | H53 | 54.9° | 61.6° |
| H57 | C61 | C62 | H58 | 0.8° | 0.0° |
| H58 | C62 | C63 | H59 | 1.2° | 0.1° |
| H59 | C63 | C64 | H60 | 1.6° | 0.1° |
