FWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C35 | C32 | sing | 1.53Å | 1.48Å | |
| C36 | C32 | sing | 1.53Å | 1.48Å | |
| C32 | F34 | sing | 1.40Å | 1.41Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| O33 | C31 | doub | 1.21Å | 1.22Å | |
| C31 | N1 | sing | 1.35Å | 1.34Å | |
| O60 | C55 | sing | 1.36Å | 1.36Å | |
| C56 | C55 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C6 | C3 | sing | 1.53Å | 1.53Å | |
| C55 | C54 | sing | 1.40Å | 1.41Å | Aromatic |
| C57 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| N50 | N51 | doub | 1.28Å | 1.35Å | Aromatic |
| N50 | C49 | sing | 1.33Å | 1.34Å | Aromatic |
| N51 | C52 | sing | 1.32Å | 1.34Å | Aromatic |
| C54 | C49 | sing | 1.48Å | 1.49Å | |
| C54 | C59 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | C4 | sing | 1.51Å | 1.54Å | |
| C49 | C48 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C58 | C59 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | N53 | sing | 1.39Å | 1.34Å | |
| C52 | C47 | doub | 1.40Å | 1.42Å | Aromatic |
| C48 | C47 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O9 | doub | 1.21Å | 1.22Å | |
| C4 | N8 | sing | 1.35Å | 1.35Å | |
| C47 | N44 | sing | 1.40Å | 1.42Å | |
| C43 | N44 | sing | 1.47Å | 1.47Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| O14 | C12 | sing | 1.43Å | 1.44Å | |
| C13 | N8 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| N8 | C10 | sing | 1.47Å | 1.47Å | |
| N44 | C45 | sing | 1.47Å | 1.47Å | |
| C42 | N41 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | C15 | sing | 1.51Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| N41 | C46 | sing | 1.47Å | 1.47Å | |
| N41 | C40 | sing | 1.47Å | 1.47Å | |
| C15 | O16 | doub | 1.21Å | 1.24Å | |
| C15 | N17 | sing | 1.35Å | 1.33Å | |
| N17 | C18 | sing | 1.46Å | 1.46Å | |
| C40 | C64 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C63 | C64 | doub | 1.38Å | 1.39Å | Aromatic |
| C63 | C62 | sing | 1.38Å | 1.39Å | Aromatic |
| C64 | C65 | sing | 1.38Å | 1.39Å | Aromatic |
| C62 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C65 | C66 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| O37 | C20 | sing | 1.36Å | 1.38Å | |
| O37 | C38 | sing | 1.43Å | 1.44Å | |
| C61 | C66 | sing | 1.38Å | 1.39Å | Aromatic |
| C61 | C39 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.48Å | |
| C25 | S29 | sing | 1.76Å | 1.74Å | 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 | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| C43 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| N53 | H49 | sing | 0.97Å | 1.00Å | |
| N53 | H50 | sing | 0.97Å | 1.00Å | |
| C56 | H51 | sing | 1.08Å | 1.08Å | |
| C57 | H52 | sing | 1.08Å | 1.08Å | |
| C58 | H53 | sing | 1.08Å | 1.08Å | |
| C59 | H54 | sing | 1.08Å | 1.08Å | |
| O60 | H55 | sing | 0.97Å | 0.95Å | |
| C62 | H56 | sing | 1.08Å | 1.08Å | |
| C63 | H57 | sing | 1.08Å | 1.08Å | |
| C65 | H58 | sing | 1.08Å | 1.08Å | |
| C66 | H59 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C32 | 59.5° | 60.0° |
| C35 | C36 | C32 | 59.4° | 60.0° |
| C36 | C35 | H29 | 120.1° | 117.5° |
| C36 | C35 | H30 | 120.1° | 117.5° |
| C35 | C36 | H31 | 120.1° | 117.5° |
| C35 | C36 | H32 | 120.1° | 117.5° |
| C35 | C32 | C36 | 61.2° | 60.0° |
| C35 | C32 | F34 | 114.2° | 117.5° |
| C35 | C32 | C31 | 123.4° | 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 | 124.8° | 117.5° |
| C32 | C36 | H31 | 120.1° | 117.5° |
| C32 | C36 | H32 | 120.1° | 117.5° |
| F34 | C32 | C31 | 110.6° | 115.6° |
| C32 | C31 | O33 | 120.5° | 120.0° |
| C32 | C31 | N1 | 115.1° | 120.0° |
| O33 | C31 | N1 | 124.4° | 120.0° |
| C31 | N1 | C2 | 132.6° | 120.0° |
| C31 | N1 | H1 | 113.7° | 120.0° |
| O60 | C55 | C56 | 116.7° | 120.2° |
| O60 | C55 | C54 | 122.6° | 120.1° |
| C55 | O60 | H55 | 109.5° | 114.0° |
| C55 | C56 | C57 | 120.1° | 120.1° |
| C56 | C55 | C54 | 120.5° | 119.7° |
| C55 | C56 | H51 | 120.0° | 119.9° |
| C56 | C57 | C58 | 120.0° | 120.3° |
| C57 | C56 | H51 | 120.0° | 119.9° |
| C56 | C57 | H52 | 120.0° | 119.9° |
| N1 | C2 | C3 | 111.2° | 109.4° |
| N1 | C2 | C4 | 107.1° | 109.5° |
| C2 | N1 | H1 | 113.7° | 120.0° |
| N1 | C2 | H17 | 108.7° | 109.5° |
| C6 | C3 | C2 | 109.3° | 109.5° |
| C6 | C3 | C7 | 108.0° | 109.5° |
| C6 | C3 | C5 | 108.0° | 109.5° |
| C3 | C6 | H5 | 109.5° | 109.5° |
| C3 | C6 | H6 | 109.5° | 109.5° |
| C3 | C6 | H7 | 109.5° | 109.5° |
| C55 | C54 | C49 | 121.8° | 120.1° |
| C55 | C54 | C59 | 117.8° | 119.7° |
| C57 | C58 | C59 | 120.2° | 120.3° |
| C58 | C57 | H52 | 120.0° | 119.8° |
| C57 | C58 | H53 | 119.9° | 119.9° |
| N51 | N50 | C49 | 120.7° | 122.3° |
| N50 | N51 | C52 | 120.8° | 122.3° |
| N50 | C49 | C54 | 116.0° | 120.1° |
| N50 | C49 | C48 | 121.4° | 119.9° |
| N51 | C52 | N53 | 114.4° | 120.1° |
| N51 | C52 | C47 | 121.1° | 119.8° |
| C49 | C54 | C59 | 120.1° | 120.2° |
| C54 | C49 | C48 | 122.4° | 120.1° |
| C54 | C59 | C58 | 121.2° | 119.9° |
| C54 | C59 | H54 | 119.4° | 120.0° |
| C3 | C2 | C4 | 114.6° | 109.5° |
| C2 | C3 | C7 | 110.9° | 109.5° |
| C2 | C3 | C5 | 111.5° | 109.5° |
| C3 | C2 | H17 | 107.4° | 109.5° |
| C2 | C4 | O9 | 119.4° | 119.9° |
| C2 | C4 | N8 | 119.3° | 120.0° |
| C4 | C2 | H17 | 107.7° | 109.4° |
| C49 | C48 | C47 | 118.5° | 117.9° |
| C49 | C48 | H48 | 120.7° | 121.1° |
| C7 | C3 | C5 | 109.0° | 109.4° |
| C3 | C7 | H8 | 109.5° | 109.5° |
| C3 | C7 | H9 | 109.5° | 109.5° |
| C3 | C7 | H10 | 109.5° | 109.4° |
| C3 | C5 | H2 | 109.5° | 109.5° |
| C3 | C5 | H3 | 109.4° | 109.4° |
| C3 | C5 | H4 | 109.5° | 109.5° |
| C59 | C58 | H53 | 119.9° | 119.8° |
| C58 | C59 | H54 | 119.4° | 120.1° |
| N53 | C52 | C47 | 124.5° | 120.1° |
| C52 | N53 | H49 | 109.5° | 120.0° |
| C52 | N53 | H50 | 109.5° | 120.0° |
| C52 | C47 | C48 | 117.5° | 117.9° |
| C52 | C47 | N44 | 119.4° | 121.0° |
| C48 | C47 | N44 | 123.1° | 121.1° |
| C47 | C48 | H48 | 120.8° | 121.0° |
| O9 | C4 | N8 | 121.3° | 120.0° |
| C4 | N8 | C13 | 129.1° | 125.6° |
| C4 | N8 | C10 | 118.7° | 125.7° |
| C47 | N44 | C43 | 116.4° | 111.0° |
| C47 | N44 | C45 | 118.6° | 111.0° |
| N44 | C43 | C42 | 110.9° | 109.4° |
| C43 | N44 | C45 | 111.8° | 110.8° |
| N44 | C43 | H42 | 109.1° | 109.5° |
| N44 | C43 | H43 | 109.1° | 109.4° |
| C43 | C42 | N41 | 111.0° | 109.3° |
| C43 | C42 | H40 | 109.1° | 109.6° |
| C43 | C42 | H41 | 109.1° | 109.5° |
| C42 | C43 | H42 | 109.1° | 109.5° |
| C42 | C43 | H43 | 109.1° | 109.5° |
| O14 | C12 | C13 | 111.8° | 111.0° |
| O14 | C12 | C11 | 111.0° | 111.0° |
| O14 | C12 | H20 | 111.0° | 110.9° |
| C12 | O14 | H21 | 109.5° | 114.0° |
| N8 | C13 | C12 | 103.2° | 104.8° |
| C13 | N8 | C10 | 112.1° | 108.7° |
| N8 | C13 | H12 | 111.0° | 110.3° |
| N8 | C13 | H13 | 111.0° | 110.4° |
| C13 | C12 | C11 | 103.3° | 101.6° |
| C12 | C13 | H12 | 111.0° | 110.4° |
| C12 | C13 | H13 | 111.0° | 110.4° |
| C13 | C12 | H20 | 109.8° | 111.0° |
| N8 | C10 | C11 | 103.6° | 107.3° |
| N8 | C10 | C15 | 112.9° | 109.9° |
| N8 | C10 | H11 | 110.6° | 110.0° |
| N44 | C45 | C46 | 110.6° | 109.4° |
| N44 | C45 | H44 | 109.2° | 109.5° |
| N44 | C45 | H45 | 109.2° | 109.5° |
| C42 | N41 | C46 | 110.1° | 110.9° |
| C42 | N41 | C40 | 111.4° | 111.0° |
| N41 | C42 | H40 | 109.1° | 109.5° |
| N41 | C42 | H41 | 109.1° | 109.4° |
| C12 | C11 | C10 | 104.4° | 103.0° |
| C12 | C11 | H18 | 110.7° | 110.7° |
| C12 | C11 | H19 | 110.7° | 110.9° |
| C11 | C12 | H20 | 109.8° | 111.0° |
| C11 | C10 | C15 | 110.2° | 109.9° |
| C11 | C10 | H11 | 109.6° | 109.8° |
| C10 | C11 | H18 | 110.7° | 110.7° |
| C10 | C11 | H19 | 110.7° | 110.7° |
| C10 | C15 | O16 | 121.3° | 120.0° |
| C10 | C15 | N17 | 115.3° | 120.0° |
| C15 | C10 | H11 | 109.8° | 109.9° |
| C45 | C46 | N41 | 110.8° | 109.3° |
| C46 | C45 | H44 | 109.2° | 109.4° |
| C46 | C45 | H45 | 109.2° | 109.5° |
| C45 | C46 | H46 | 109.2° | 109.5° |
| C45 | C46 | H47 | 109.1° | 109.5° |
| C46 | N41 | C40 | 111.4° | 111.0° |
| N41 | C46 | H46 | 109.1° | 109.5° |
| N41 | C46 | H47 | 109.1° | 109.5° |
| N41 | C40 | C64 | 112.6° | 109.5° |
| N41 | C40 | H37 | 108.7° | 109.4° |
| N41 | C40 | H38 | 108.7° | 109.4° |
| O16 | C15 | N17 | 123.4° | 119.9° |
| C15 | N17 | C18 | 122.5° | 120.0° |
| C15 | N17 | H22 | 118.8° | 120.0° |
| N17 | C18 | C19 | 111.7° | 109.5° |
| C18 | N17 | H22 | 118.8° | 120.0° |
| N17 | C18 | H23 | 108.9° | 109.5° |
| N17 | C18 | H24 | 108.9° | 109.4° |
| C40 | C64 | C63 | 121.4° | 120.0° |
| C40 | C64 | C65 | 120.1° | 120.0° |
| C64 | C40 | H37 | 108.7° | 109.5° |
| C64 | C40 | H38 | 108.7° | 109.5° |
| C18 | C19 | C24 | 121.5° | 119.9° |
| C18 | C19 | C20 | 120.4° | 119.9° |
| C19 | C18 | H23 | 108.9° | 109.5° |
| C19 | C18 | H24 | 108.9° | 109.4° |
| C64 | C63 | C62 | 120.9° | 120.0° |
| C63 | C64 | C65 | 118.2° | 120.0° |
| C64 | C63 | H57 | 119.6° | 120.0° |
| C63 | C62 | C61 | 120.8° | 120.0° |
| C63 | C62 | H56 | 119.6° | 120.0° |
| C62 | C63 | H57 | 119.6° | 120.0° |
| C64 | C65 | C66 | 121.0° | 120.0° |
| C64 | C65 | H58 | 119.5° | 120.0° |
| C62 | C61 | C66 | 118.0° | 120.0° |
| C62 | C61 | C39 | 121.5° | 120.0° |
| C61 | C62 | H56 | 119.6° | 120.0° |
| C65 | C66 | C61 | 121.1° | 120.0° |
| C66 | C65 | H58 | 119.5° | 120.0° |
| C65 | C66 | H59 | 119.4° | 120.0° |
| C24 | C19 | C20 | 118.1° | 120.2° |
| C19 | C24 | C23 | 121.2° | 120.2° |
| C19 | C24 | H15 | 119.4° | 119.9° |
| C19 | C20 | O37 | 115.1° | 120.0° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C24 | C23 | C22 | 120.6° | 120.0° |
| C23 | C24 | H15 | 119.4° | 119.9° |
| C24 | C23 | H25 | 119.7° | 120.0° |
| C20 | O37 | C38 | 119.4° | 117.0° |
| O37 | C20 | C21 | 124.1° | 120.0° |
| O37 | C38 | C39 | 110.0° | 109.4° |
| O37 | C38 | H33 | 109.4° | 109.5° |
| O37 | C38 | H34 | 109.3° | 109.5° |
| C66 | C61 | C39 | 120.3° | 120.0° |
| C61 | C66 | H59 | 119.5° | 120.0° |
| C61 | C39 | C38 | 114.9° | 109.5° |
| C61 | C39 | H35 | 108.1° | 109.4° |
| C61 | C39 | H36 | 108.1° | 109.4° |
| C20 | C21 | C22 | 120.3° | 119.8° |
| C20 | C21 | H14 | 119.8° | 120.1° |
| C23 | C22 | C21 | 119.0° | 119.7° |
| C23 | C22 | C25 | 120.5° | 120.2° |
| C22 | C23 | H25 | 119.7° | 120.0° |
| C39 | C38 | H33 | 109.3° | 109.5° |
| C39 | C38 | H34 | 109.4° | 109.5° |
| C38 | C39 | H35 | 108.1° | 109.5° |
| C38 | C39 | H36 | 108.1° | 109.5° |
| C21 | C22 | C25 | 120.4° | 120.1° |
| C22 | C21 | H14 | 119.8° | 120.1° |
| C22 | C25 | S29 | 119.6° | 126.1° |
| C22 | C25 | C26 | 130.6° | 126.1° |
| S29 | C25 | C26 | 109.6° | 107.8° |
| C25 | S29 | C28 | 88.7° | 90.3° |
| C25 | C26 | C30 | 127.0° | 122.9° |
| C25 | C26 | N27 | 114.7° | 114.3° |
| S29 | C28 | N27 | 116.1° | 110.4° |
| S29 | C28 | H16 | 122.0° | 124.8° |
| C30 | C26 | N27 | 118.3° | 122.8° |
| C26 | C30 | H26 | 109.5° | 109.5° |
| C26 | C30 | H27 | 109.5° | 109.5° |
| C26 | C30 | H28 | 109.4° | 109.5° |
| C26 | N27 | C28 | 110.9° | 117.3° |
| N27 | C28 | H16 | 121.9° | 124.8° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H2 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.4° |
| H5 | C6 | H7 | 109.5° | 109.5° |
| 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° | 110.6° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H26 | C30 | H27 | 109.4° | 109.4° |
| H26 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.5° | 115.6° |
| H31 | C36 | H32 | 109.5° | 115.6° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C39 | H36 | 109.5° | 109.5° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H40 | C42 | H41 | 109.4° | 109.5° |
| H42 | C43 | H43 | 109.5° | 109.5° |
| H44 | C45 | H45 | 109.5° | 109.5° |
| H46 | C46 | H47 | 109.5° | 109.5° |
| H49 | N53 | H50 | 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° | 107.5° |
| C35 | C36 | C32 | H32 | 109.3° | 107.5° |
| C36 | C35 | C32 | F34 | 106.1° | 107.5° |
| C36 | C35 | C32 | C31 | 114.6° | 107.4° |
| C36 | C35 | H29 | H30 | 145.0° | 145.7° |
| C35 | C36 | H31 | H32 | 145.1° | 145.7° |
| C35 | C32 | F34 | C31 | 144.5° | 145.7° |
| C35 | C32 | C31 | O33 | 49.5° | 4.9° |
| C35 | C32 | C31 | N1 | 131.2° | 175.1° |
| C32 | C35 | H29 | H30 | 145.0° | 145.6° |
| C36 | C32 | F34 | C31 | 147.5° | 145.6° |
| C36 | C32 | C31 | O33 | 26.3° | 63.8° |
| C36 | C32 | C31 | N1 | 153.0° | 116.3° |
| C32 | C36 | H31 | H32 | 145.1° | 145.7° |
| F34 | C32 | C31 | O33 | 169.9° | 150.6° |
| F34 | C32 | C31 | N1 | 9.4° | 29.4° |
| F34 | C32 | C35 | H29 | 144.6° | 0.0° |
| F34 | C32 | C35 | H30 | 3.3° | 145.0° |
| F34 | C32 | C36 | H31 | 4.2° | 145.0° |
| F34 | C32 | C36 | H32 | 145.6° | 0.1° |
| C32 | C31 | O33 | N1 | 179.2° | 180.0° |
| C32 | C31 | N1 | C2 | 178.7° | 180.0° |
| C32 | C31 | N1 | H1 | 1.3° | 0.3° |
| C31 | C32 | C35 | H29 | 5.3° | 145.0° |
| C31 | C32 | C35 | H30 | 136.1° | 0.1° |
| C31 | C32 | C36 | H31 | 138.1° | 0.0° |
| C31 | C32 | C36 | H32 | 3.3° | 145.0° |
| O33 | C31 | N1 | C2 | 2.0° | 0.0° |
| O33 | C31 | N1 | H1 | 178.0° | 179.7° |
| C31 | N1 | C2 | H1 | 180.0° | 179.7° |
| C31 | N1 | C2 | C3 | 120.0° | 85.3° |
| C31 | N1 | C2 | C4 | 114.1° | 154.7° |
| C31 | N1 | C2 | H17 | 2.0° | 34.7° |
| O60 | C55 | C56 | C54 | 174.9° | 179.9° |
| O60 | C55 | C56 | C57 | 174.9° | 179.9° |
| O60 | C55 | C54 | C49 | 8.6° | 0.1° |
| O60 | C55 | C54 | C59 | 176.9° | 179.9° |
| O60 | C55 | C56 | H51 | 5.1° | 0.1° |
| C55 | C56 | C57 | H51 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 2.9° | 0.0° |
| C56 | C55 | C54 | C49 | 176.8° | 180.0° |
| C56 | C55 | C54 | C59 | 2.3° | 0.2° |
| C55 | C56 | C57 | H52 | 177.2° | 180.0° |
| C56 | C55 | O60 | H55 | 180.0° | 90.1° |
| C57 | C56 | C55 | C54 | 0.0° | 0.0° |
| C56 | C57 | C58 | H52 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 3.3° | 0.2° |
| C56 | C57 | C58 | H53 | 176.7° | 180.0° |
| N1 | C2 | C3 | C6 | 60.5° | 60.3° |
| N1 | C2 | C3 | C4 | 121.6° | 120.0° |
| N1 | C2 | C3 | H17 | 118.8° | 120.0° |
| N1 | C2 | C4 | H17 | 116.8° | 120.0° |
| N1 | C2 | C3 | C7 | 58.4° | 59.7° |
| N1 | C2 | C3 | C5 | 179.9° | 179.7° |
| N1 | C2 | C4 | O9 | 44.8° | 34.9° |
| N1 | C2 | C4 | N8 | 133.8° | 145.1° |
| C6 | C3 | C2 | C7 | 118.9° | 120.0° |
| C6 | C3 | C2 | C5 | 119.4° | 120.0° |
| C6 | C3 | C2 | C4 | 177.9° | 59.7° |
| C6 | C3 | C7 | C5 | 117.1° | 120.0° |
| C6 | C3 | C5 | H2 | 180.0° | 64.8° |
| C6 | C3 | C5 | H3 | 60.0° | 175.3° |
| C6 | C3 | C5 | H4 | 60.0° | 55.2° |
| C3 | C6 | H5 | H6 | 120.0° | 120.0° |
| C3 | C6 | H5 | H7 | 120.0° | 120.1° |
| C3 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | C3 | C7 | H8 | 180.0° | 60.0° |
| C6 | C3 | C7 | H9 | 60.0° | 180.0° |
| C6 | C3 | C7 | H10 | 60.0° | 60.0° |
| C6 | C3 | C2 | H17 | 58.3° | 179.7° |
| C55 | C54 | C49 | N50 | 7.2° | 0.3° |
| C55 | C54 | C49 | C59 | 174.3° | 179.8° |
| C55 | C54 | C49 | C48 | 177.4° | 179.7° |
| C55 | C54 | C59 | C58 | 1.9° | 0.5° |
| C54 | C55 | C56 | H51 | 180.0° | 180.0° |
| C55 | C54 | C59 | H54 | 178.1° | 179.7° |
| C54 | C55 | O60 | H55 | 5.3° | 90.0° |
| C57 | C58 | C59 | C54 | 0.9° | 0.5° |
| C57 | C58 | C59 | H53 | 180.0° | 179.8° |
| C58 | C57 | C56 | H51 | 177.1° | 180.0° |
| C57 | C58 | C59 | H54 | 179.1° | 179.7° |
| N51 | N50 | C49 | C54 | 179.6° | 180.0° |
| N51 | N50 | C49 | C48 | 4.1° | 0.0° |
| N50 | N51 | C52 | N53 | 178.6° | 180.0° |
| N50 | N51 | C52 | C47 | 0.2° | 0.6° |
| C49 | N50 | N51 | C52 | 3.0° | 0.3° |
| N50 | C49 | C54 | C48 | 175.5° | 180.0° |
| N50 | C49 | C54 | C59 | 178.5° | 180.0° |
| N50 | C49 | C48 | C47 | 2.3° | 0.0° |
| N50 | C49 | C48 | H48 | 177.7° | 180.0° |
| N51 | C52 | N53 | C47 | 178.3° | 179.4° |
| N51 | C52 | C47 | C48 | 1.5° | 0.6° |
| N51 | C52 | C47 | N44 | 176.6° | 179.7° |
| N51 | C52 | N53 | H49 | 0.0° | 0.0° |
| N51 | C52 | N53 | H50 | 120.0° | 180.0° |
| C49 | C54 | C59 | C58 | 176.5° | 179.8° |
| C54 | C49 | C48 | C47 | 177.5° | 179.9° |
| C54 | C49 | C48 | H48 | 2.5° | 0.0° |
| C49 | C54 | C59 | H54 | 3.6° | 0.1° |
| C59 | C54 | C49 | C48 | 3.0° | 0.0° |
| C54 | C59 | C58 | H54 | 180.0° | 179.8° |
| C54 | C59 | C58 | H53 | 179.1° | 179.8° |
| C3 | C2 | C4 | H17 | 119.4° | 120.0° |
| C2 | C3 | C7 | C5 | 123.2° | 120.0° |
| C3 | C2 | C4 | O9 | 79.0° | 85.1° |
| C3 | C2 | C4 | N8 | 102.3° | 94.9° |
| C3 | C2 | N1 | H1 | 60.0° | 95.0° |
| C2 | C3 | C5 | H2 | 59.9° | 55.2° |
| C2 | C3 | C5 | H3 | 60.1° | 64.7° |
| C2 | C3 | C5 | H4 | 179.9° | 175.2° |
| C2 | C3 | C6 | H5 | 180.0° | 60.0° |
| C2 | C3 | C6 | H6 | 60.0° | 180.0° |
| C2 | C3 | C6 | H7 | 60.0° | 60.0° |
| C2 | C3 | C7 | H8 | 60.3° | 180.0° |
| C2 | C3 | C7 | H9 | 179.7° | 59.9° |
| C2 | C3 | C7 | H10 | 59.7° | 60.0° |
| C4 | C2 | C3 | C7 | 63.2° | 179.7° |
| C4 | C2 | C3 | C5 | 58.5° | 60.3° |
| C2 | C4 | O9 | N8 | 178.6° | 180.0° |
| C2 | C4 | N8 | C13 | 0.2° | 5.3° |
| C2 | C4 | N8 | C10 | 178.3° | 174.7° |
| C4 | C2 | N1 | H1 | 65.9° | 25.0° |
| C49 | C48 | C47 | C52 | 0.4° | 0.3° |
| C49 | C48 | C47 | H48 | 180.0° | 180.0° |
| C49 | C48 | C47 | N44 | 177.6° | 180.0° |
| C7 | C3 | C5 | H2 | 62.9° | 175.2° |
| C7 | C3 | C5 | H3 | 177.1° | 55.3° |
| C7 | C3 | C5 | H4 | 57.1° | 64.8° |
| C7 | C3 | C6 | H5 | 59.3° | 179.9° |
| C7 | C3 | C6 | H6 | 179.3° | 60.0° |
| C7 | C3 | C6 | H7 | 60.7° | 60.0° |
| C3 | C7 | H8 | H9 | 120.0° | 120.1° |
| C3 | C7 | H8 | H10 | 120.0° | 120.0° |
| C3 | C7 | H9 | H10 | 120.0° | 119.9° |
| C7 | C3 | C2 | H17 | 177.2° | 60.3° |
| C3 | C5 | H2 | H3 | 120.0° | 119.9° |
| C3 | C5 | H2 | H4 | 120.0° | 120.0° |
| C3 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C3 | C6 | H5 | 58.5° | 60.0° |
| C5 | C3 | C6 | H6 | 61.5° | 60.0° |
| C5 | C3 | C6 | H7 | 178.5° | 180.0° |
| C5 | C3 | C7 | H8 | 62.8° | 60.0° |
| C5 | C3 | C7 | H9 | 57.1° | 60.1° |
| C5 | C3 | C7 | H10 | 177.1° | 180.0° |
| C5 | C3 | C2 | H17 | 61.1° | 59.7° |
| C59 | C58 | C57 | H52 | 176.7° | 179.7° |
| N53 | C52 | C47 | C48 | 176.7° | 180.0° |
| N53 | C52 | C47 | N44 | 5.2° | 0.3° |
| C52 | N53 | H49 | H50 | 120.0° | 180.0° |
| C52 | C47 | C48 | N44 | 178.0° | 179.7° |
| C52 | C47 | N44 | C43 | 67.4° | 119.7° |
| C52 | C47 | N44 | C45 | 154.6° | 116.5° |
| C52 | C47 | C48 | H48 | 179.6° | 179.7° |
| C47 | C52 | N53 | H49 | 178.3° | 179.4° |
| C47 | C52 | N53 | H50 | 61.7° | 0.6° |
| C48 | C47 | N44 | C43 | 110.5° | 60.0° |
| C48 | C47 | N44 | C45 | 27.4° | 63.8° |
| O9 | C4 | N8 | C13 | 178.8° | 174.7° |
| O9 | C4 | N8 | C10 | 0.3° | 5.3° |
| O9 | C4 | C2 | H17 | 161.6° | 154.9° |
| C4 | N8 | C13 | C10 | 178.6° | 180.0° |
| C4 | N8 | C13 | C12 | 158.7° | 155.9° |
| C4 | N8 | C10 | C11 | 178.8° | 179.0° |
| C4 | N8 | C10 | C15 | 59.7° | 59.6° |
| C4 | N8 | C10 | H11 | 63.8° | 61.6° |
| C4 | N8 | C13 | H12 | 39.8° | 85.3° |
| C4 | N8 | C13 | H13 | 82.3° | 37.1° |
| N8 | C4 | C2 | H17 | 17.0° | 25.1° |
| C47 | N44 | C43 | C45 | 140.7° | 123.8° |
| C47 | N44 | C43 | C42 | 155.0° | 176.8° |
| C47 | N44 | C45 | C46 | 176.0° | 176.8° |
| C47 | N44 | C43 | H42 | 34.8° | 63.2° |
| C47 | N44 | C43 | H43 | 84.8° | 56.9° |
| C47 | N44 | C45 | H44 | 55.9° | 63.2° |
| C47 | N44 | C45 | H45 | 63.8° | 56.9° |
| N44 | C47 | C48 | H48 | 2.4° | 0.0° |
| N44 | C43 | C42 | H42 | 120.2° | 120.0° |
| N44 | C43 | C42 | H43 | 120.2° | 119.9° |
| N44 | C43 | C42 | N41 | 24.0° | 58.4° |
| C43 | N44 | C45 | C46 | 36.3° | 59.3° |
| N44 | C43 | C42 | H40 | 96.3° | 178.4° |
| N44 | C43 | C42 | H41 | 144.2° | 61.5° |
| N44 | C43 | H42 | H43 | 119.3° | 120.0° |
| C43 | N44 | C45 | H44 | 83.9° | 60.6° |
| C43 | N44 | C45 | H45 | 156.5° | 179.3° |
| C42 | C43 | N44 | C45 | 64.3° | 59.4° |
| C43 | C42 | N41 | H40 | 120.3° | 120.0° |
| C43 | C42 | N41 | H41 | 120.2° | 120.0° |
| C43 | C42 | N41 | C46 | 38.6° | 59.3° |
| C43 | C42 | N41 | C40 | 162.8° | 64.6° |
| C43 | C42 | H40 | H41 | 119.3° | 120.1° |
| C42 | C43 | H42 | H43 | 119.4° | 120.0° |
| O14 | C12 | C13 | N8 | 85.4° | 155.1° |
| O14 | C12 | C13 | C11 | 119.4° | 118.1° |
| O14 | C12 | C13 | H20 | 123.6° | 123.8° |
| O14 | C12 | C11 | H20 | 123.1° | 123.9° |
| O14 | C12 | C11 | C10 | 83.9° | 153.6° |
| O14 | C12 | C13 | H12 | 33.6° | 36.3° |
| O14 | C12 | C13 | H13 | 155.6° | 86.1° |
| O14 | C12 | C11 | H18 | 35.3° | 88.0° |
| O14 | C12 | C11 | H19 | 157.0° | 35.1° |
| N8 | C13 | C12 | H12 | 119.0° | 118.8° |
| N8 | C13 | C12 | H13 | 119.0° | 118.8° |
| N8 | C13 | C12 | C11 | 34.0° | 37.0° |
| C13 | N8 | C10 | C11 | 2.4° | 1.0° |
| C13 | N8 | C10 | C15 | 121.6° | 120.4° |
| C13 | N8 | C10 | H11 | 115.0° | 118.4° |
| N8 | C13 | H12 | H13 | 122.9° | 122.3° |
| N8 | C13 | C12 | H20 | 151.0° | 81.1° |
| C12 | C13 | N8 | C10 | 19.9° | 24.1° |
| C13 | C12 | C11 | H20 | 117.0° | 118.1° |
| C13 | C12 | C11 | C10 | 36.1° | 35.5° |
| C12 | C13 | H12 | H13 | 122.9° | 122.3° |
| C13 | C12 | C11 | H18 | 155.3° | 153.9° |
| C13 | C12 | C11 | H19 | 83.1° | 82.9° |
| C13 | C12 | O14 | H21 | 180.0° | 61.4° |
| N8 | C10 | C11 | C12 | 23.9° | 22.2° |
| N8 | C10 | C11 | C15 | 121.0° | 119.4° |
| N8 | C10 | C11 | H11 | 118.1° | 119.6° |
| N8 | C10 | C15 | H11 | 123.9° | 121.2° |
| N8 | C10 | C15 | O16 | 30.7° | 0.8° |
| N8 | C10 | C15 | N17 | 150.1° | 179.3° |
| C10 | N8 | C13 | H12 | 138.8° | 94.7° |
| C10 | N8 | C13 | H13 | 99.1° | 142.9° |
| N8 | C10 | C11 | H18 | 143.1° | 140.6° |
| N8 | C10 | C11 | H19 | 95.2° | 96.4° |
| N44 | C45 | C46 | H44 | 120.1° | 120.0° |
| N44 | C45 | C46 | H45 | 120.2° | 119.9° |
| N44 | C45 | C46 | N41 | 27.1° | 58.4° |
| C45 | N44 | C43 | H42 | 175.5° | 60.6° |
| C45 | N44 | C43 | H43 | 55.9° | 179.3° |
| N44 | C45 | H44 | H45 | 119.5° | 120.1° |
| N44 | C45 | C46 | H46 | 93.1° | 61.5° |
| N44 | C45 | C46 | H47 | 147.3° | 178.4° |
| C42 | N41 | C46 | C45 | 66.9° | 59.3° |
| C42 | N41 | C46 | C40 | 124.2° | 123.9° |
| C42 | N41 | C40 | C64 | 131.0° | 66.2° |
| C42 | N41 | C40 | H37 | 10.5° | 53.9° |
| C42 | N41 | C40 | H38 | 108.5° | 173.8° |
| N41 | C42 | H40 | H41 | 119.3° | 120.0° |
| N41 | C42 | C43 | H42 | 144.2° | 61.6° |
| N41 | C42 | C43 | H43 | 96.2° | 178.3° |
| C42 | N41 | C46 | H46 | 53.3° | 60.6° |
| C42 | N41 | C46 | H47 | 172.9° | 179.3° |
| C12 | C11 | C10 | H18 | 119.2° | 118.4° |
| C12 | C11 | C10 | H19 | 119.2° | 118.6° |
| C12 | C11 | C10 | C15 | 144.9° | 97.2° |
| C12 | C11 | C10 | H11 | 94.2° | 141.8° |
| C11 | C12 | C13 | H12 | 153.0° | 81.8° |
| C11 | C12 | C13 | H13 | 85.0° | 155.8° |
| C12 | C11 | H18 | H19 | 122.3° | 123.3° |
| C11 | C12 | O14 | H21 | 65.3° | 173.6° |
| C11 | C10 | C15 | H11 | 120.8° | 121.0° |
| C11 | C10 | C15 | O16 | 84.6° | 118.6° |
| C11 | C10 | C15 | N17 | 94.6° | 61.5° |
| C10 | C11 | H18 | H19 | 122.4° | 123.1° |
| C10 | C11 | C12 | H20 | 153.1° | 82.6° |
| C10 | C15 | O16 | N17 | 179.1° | 180.0° |
| C10 | C15 | N17 | C18 | 173.8° | 180.0° |
| C15 | C10 | C11 | H18 | 95.9° | 21.2° |
| C15 | C10 | C11 | H19 | 25.7° | 144.2° |
| C10 | C15 | N17 | H22 | 6.2° | 0.0° |
| C45 | C46 | N41 | H46 | 120.2° | 119.9° |
| C45 | C46 | N41 | H47 | 120.2° | 120.0° |
| C45 | C46 | N41 | C40 | 168.9° | 64.6° |
| C46 | C45 | H44 | H45 | 119.5° | 120.0° |
| C45 | C46 | H46 | H47 | 119.4° | 120.0° |
| C46 | N41 | C40 | C64 | 105.5° | 170.0° |
| C46 | N41 | C40 | H37 | 134.0° | 70.0° |
| C46 | N41 | C40 | H38 | 14.9° | 50.0° |
| C46 | N41 | C42 | H40 | 158.9° | 179.3° |
| C46 | N41 | C42 | H41 | 81.6° | 60.6° |
| N41 | C46 | C45 | H44 | 147.2° | 61.6° |
| N41 | C46 | C45 | H45 | 93.1° | 178.4° |
| N41 | C46 | H46 | H47 | 119.4° | 120.1° |
| N41 | C40 | C64 | H37 | 120.5° | 120.0° |
| N41 | C40 | C64 | H38 | 120.4° | 119.9° |
| N41 | C40 | C64 | C63 | 90.2° | 90.0° |
| N41 | C40 | C64 | C65 | 82.8° | 90.1° |
| N41 | C40 | H37 | H38 | 118.6° | 119.9° |
| C40 | N41 | C42 | H40 | 77.0° | 55.4° |
| C40 | N41 | C42 | H41 | 42.6° | 175.4° |
| C40 | N41 | C46 | H46 | 70.9° | 175.5° |
| C40 | N41 | C46 | H47 | 48.7° | 55.4° |
| O16 | C15 | N17 | C18 | 5.4° | 0.0° |
| O16 | C15 | C10 | H11 | 154.6° | 120.5° |
| O16 | C15 | N17 | H22 | 174.6° | 179.9° |
| C15 | N17 | C18 | H22 | 180.0° | 180.0° |
| C15 | N17 | C18 | C19 | 93.9° | 180.0° |
| N17 | C15 | C10 | H11 | 26.2° | 59.5° |
| C15 | N17 | C18 | H23 | 26.4° | 60.0° |
| C15 | N17 | C18 | H24 | 145.7° | 60.0° |
| N17 | C18 | C19 | H23 | 120.4° | 120.1° |
| N17 | C18 | C19 | H24 | 120.3° | 120.0° |
| N17 | C18 | C19 | C24 | 24.2° | 99.9° |
| N17 | C18 | C19 | C20 | 157.6° | 80.0° |
| N17 | C18 | H23 | H24 | 119.0° | 120.0° |
| C40 | C64 | C63 | C65 | 173.2° | 179.9° |
| C40 | C64 | C63 | C62 | 176.4° | 179.9° |
| C40 | C64 | C65 | C66 | 176.3° | 179.9° |
| C64 | C40 | H37 | H38 | 118.6° | 120.1° |
| C40 | C64 | C63 | H57 | 3.6° | 0.0° |
| C40 | C64 | C65 | H58 | 3.7° | 0.1° |
| C18 | C19 | C24 | C20 | 178.3° | 180.0° |
| C18 | C19 | C24 | C23 | 179.2° | 180.0° |
| C18 | C19 | C20 | O37 | 1.0° | 0.3° |
| C18 | C19 | C20 | C21 | 177.8° | 180.0° |
| C18 | C19 | C24 | H15 | 0.8° | 0.1° |
| C19 | C18 | N17 | H22 | 86.1° | 0.0° |
| C19 | C18 | H23 | H24 | 119.0° | 120.0° |
| C64 | C63 | C62 | H57 | 180.0° | 180.0° |
| C64 | C63 | C62 | C61 | 3.2° | 0.0° |
| C63 | C64 | C65 | C66 | 3.0° | 0.0° |
| C63 | C64 | C40 | H37 | 30.2° | 29.9° |
| C63 | C64 | C40 | H38 | 149.3° | 150.0° |
| C64 | C63 | C62 | H56 | 176.8° | 180.0° |
| C63 | C64 | C65 | H58 | 177.0° | 180.0° |
| C62 | C63 | C64 | C65 | 3.2° | 0.0° |
| C63 | C62 | C61 | H56 | 180.0° | 180.0° |
| C63 | C62 | C61 | C66 | 2.8° | 0.0° |
| C63 | C62 | C61 | C39 | 176.7° | 179.7° |
| C64 | C65 | C66 | H58 | 180.0° | 180.0° |
| C64 | C65 | C66 | C61 | 2.8° | 0.0° |
| C65 | C64 | C40 | H37 | 156.7° | 150.0° |
| C65 | C64 | C40 | H38 | 37.6° | 29.9° |
| C65 | C64 | C63 | H57 | 176.8° | 179.9° |
| C64 | C65 | C66 | H59 | 177.3° | 179.7° |
| C62 | C61 | C66 | C65 | 2.6° | 0.0° |
| C62 | C61 | C66 | C39 | 174.0° | 179.7° |
| C62 | C61 | C39 | C38 | 82.6° | 89.7° |
| C62 | C61 | C39 | H35 | 38.2° | 150.3° |
| C62 | C61 | C39 | H36 | 156.6° | 30.3° |
| C61 | C62 | C63 | H57 | 176.8° | 179.9° |
| C62 | C61 | C66 | H59 | 177.4° | 179.7° |
| C65 | C66 | C61 | H59 | 180.0° | 179.7° |
| C65 | C66 | C61 | C39 | 176.5° | 179.7° |
| C19 | C24 | C23 | H15 | 180.0° | 179.9° |
| C24 | C19 | C20 | O37 | 179.3° | 179.7° |
| C24 | C19 | C20 | C21 | 0.5° | 0.0° |
| C19 | C24 | C23 | C22 | 1.7° | 0.1° |
| C24 | C19 | C18 | H23 | 144.6° | 140.0° |
| C24 | C19 | C18 | H24 | 96.1° | 20.0° |
| C19 | C24 | C23 | H25 | 178.3° | 180.0° |
| C20 | C19 | C24 | C23 | 0.9° | 0.1° |
| C19 | C20 | O37 | C21 | 178.8° | 179.7° |
| C19 | C20 | O37 | C38 | 179.1° | 179.7° |
| C19 | C20 | C21 | C22 | 1.0° | 0.0° |
| C19 | C20 | C21 | H14 | 179.1° | 180.0° |
| C20 | C19 | C24 | H15 | 179.1° | 180.0° |
| C20 | C19 | C18 | H23 | 37.2° | 40.0° |
| C20 | C19 | C18 | H24 | 82.1° | 160.0° |
| C24 | C23 | C22 | H25 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 1.2° | 0.0° |
| C24 | C23 | C22 | C25 | 176.2° | 179.9° |
| C20 | O37 | C38 | C39 | 82.8° | 180.0° |
| O37 | C20 | C21 | C22 | 179.7° | 179.7° |
| O37 | C20 | C21 | H14 | 0.3° | 0.3° |
| C20 | O37 | C38 | H33 | 157.1° | 60.0° |
| C20 | O37 | C38 | H34 | 37.2° | 60.0° |
| O37 | C38 | C39 | C61 | 63.3° | 180.0° |
| C38 | O37 | C20 | C21 | 2.1° | 0.0° |
| O37 | C38 | C39 | H33 | 120.1° | 120.0° |
| O37 | C38 | C39 | H34 | 120.1° | 120.0° |
| O37 | C38 | H33 | H34 | 119.8° | 120.0° |
| O37 | C38 | C39 | H35 | 57.4° | 60.0° |
| O37 | C38 | C39 | H36 | 175.9° | 60.0° |
| C66 | C61 | C39 | C38 | 103.6° | 90.0° |
| C66 | C61 | C39 | H35 | 135.6° | 30.0° |
| C66 | C61 | C39 | H36 | 17.1° | 150.0° |
| C66 | C61 | C62 | H56 | 177.2° | 180.0° |
| C61 | C66 | C65 | H58 | 177.3° | 180.0° |
| C61 | C39 | C38 | H35 | 120.8° | 120.0° |
| C61 | C39 | C38 | H36 | 120.8° | 120.0° |
| C61 | C39 | C38 | H33 | 56.8° | 60.0° |
| C61 | C39 | C38 | H34 | 176.6° | 60.0° |
| C61 | C39 | H35 | H36 | 117.5° | 120.0° |
| C39 | C61 | C62 | H56 | 3.3° | 0.3° |
| C39 | C61 | C66 | H59 | 3.5° | 0.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | C25 | 177.5° | 180.0° |
| C23 | C22 | C21 | C25 | 177.4° | 180.0° |
| C23 | C22 | C25 | S29 | 53.5° | 132.2° |
| C23 | C22 | C25 | C26 | 121.0° | 47.8° |
| C23 | C22 | C21 | H14 | 179.9° | 180.0° |
| C22 | C23 | C24 | H15 | 178.3° | 180.0° |
| C39 | C38 | H33 | H34 | 119.8° | 120.0° |
| C38 | C39 | H35 | H36 | 117.5° | 120.0° |
| C21 | C22 | C25 | S29 | 129.1° | 47.8° |
| C21 | C22 | C25 | C26 | 56.3° | 132.2° |
| C21 | C22 | C23 | H25 | 178.8° | 180.0° |
| C22 | C25 | S29 | C26 | 175.6° | 180.0° |
| C22 | C25 | S29 | C28 | 177.4° | 179.8° |
| C22 | C25 | C26 | C30 | 3.8° | 0.0° |
| C22 | C25 | C26 | N27 | 177.8° | 179.7° |
| C25 | C22 | C21 | H14 | 2.5° | 0.0° |
| C25 | C22 | C23 | H25 | 3.8° | 0.0° |
| S29 | C25 | C26 | C30 | 178.8° | 180.0° |
| S29 | C25 | C26 | N27 | 2.9° | 0.3° |
| C25 | S29 | C28 | N27 | 0.3° | 0.0° |
| C25 | S29 | C28 | H16 | 179.7° | 179.9° |
| C26 | C25 | S29 | C28 | 1.8° | 0.2° |
| C25 | C26 | C30 | N27 | 178.3° | 179.7° |
| C25 | C26 | N27 | C28 | 2.7° | 0.3° |
| C25 | C26 | C30 | H26 | 178.3° | 84.5° |
| C25 | C26 | C30 | H27 | 58.3° | 35.5° |
| C25 | C26 | C30 | H28 | 61.7° | 155.5° |
| S29 | C28 | N27 | C26 | 1.2° | 0.1° |
| S29 | C28 | N27 | H16 | 180.0° | 179.9° |
| C30 | C26 | N27 | C28 | 178.8° | 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 | 178.8° | 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 | 178.0° | 145.0° |
| H2 | C5 | H3 | H4 | 120.0° | 120.1° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| H11 | C10 | C11 | H18 | 25.0° | 99.8° |
| H11 | C10 | C11 | H19 | 146.7° | 23.2° |
| H12 | C13 | C12 | H20 | 90.0° | 160.1° |
| H13 | C13 | C12 | H20 | 32.0° | 37.7° |
| H15 | C24 | C23 | H25 | 1.7° | 0.1° |
| H18 | C11 | C12 | H20 | 87.7° | 35.8° |
| H19 | C11 | C12 | H20 | 33.9° | 159.0° |
| H20 | C12 | O14 | H21 | 57.1° | 62.5° |
| H22 | N17 | C18 | H23 | 153.6° | 120.1° |
| H22 | N17 | C18 | H24 | 34.2° | 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 | 0.1° | 0.0° |
| H30 | C35 | C36 | H32 | 141.4° | 145.1° |
| H33 | C38 | C39 | H35 | 177.5° | 180.0° |
| H33 | C38 | C39 | H36 | 64.0° | 60.0° |
| H34 | C38 | C39 | H35 | 62.6° | 60.0° |
| H34 | C38 | C39 | H36 | 55.8° | 180.0° |
| H40 | C42 | C43 | H42 | 23.9° | 58.4° |
| H40 | C42 | C43 | H43 | 143.5° | 61.7° |
| H41 | C42 | C43 | H42 | 95.6° | 178.5° |
| H41 | C42 | C43 | H43 | 24.0° | 58.4° |
| H44 | C45 | C46 | H46 | 27.0° | 178.5° |
| H44 | C45 | C46 | H47 | 92.6° | 58.4° |
| H45 | C45 | C46 | H46 | 146.7° | 58.4° |
| H45 | C45 | C46 | H47 | 27.1° | 61.6° |
| H51 | C56 | C57 | H52 | 2.8° | 0.0° |
| H52 | C57 | C58 | H53 | 3.3° | 0.0° |
| H53 | C58 | C59 | H54 | 0.9° | 0.1° |
| H56 | C62 | C63 | H57 | 3.2° | 0.1° |
| H58 | C65 | C66 | H59 | 2.7° | 0.3° |
