KQD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C85 | C84 | doub | 1.38Å | 1.39Å | Aromatic |
| C85 | C86 | sing | 1.38Å | 1.40Å | Aromatic |
| C84 | C83 | sing | 1.38Å | 1.38Å | Aromatic |
| C80 | C79 | doub | 1.38Å | 1.39Å | Aromatic |
| C80 | C81 | sing | 1.38Å | 1.39Å | Aromatic |
| C86 | C87 | doub | 1.38Å | 1.39Å | Aromatic |
| C79 | C78 | sing | 1.38Å | 1.38Å | Aromatic |
| C83 | C82 | doub | 1.38Å | 1.39Å | Aromatic |
| C81 | C76 | doub | 1.38Å | 1.39Å | Aromatic |
| C78 | C77 | doub | 1.38Å | 1.39Å | Aromatic |
| C87 | C82 | sing | 1.38Å | 1.40Å | Aromatic |
| C82 | C74 | sing | 1.51Å | 1.49Å | |
| C76 | C77 | sing | 1.38Å | 1.39Å | Aromatic |
| C76 | C72 | sing | 1.51Å | 1.49Å | |
| C71 | C72 | sing | 1.53Å | 1.52Å | |
| C71 | C70 | sing | 1.53Å | 1.53Å | |
| C72 | C70 | sing | 1.53Å | 1.54Å | |
| C74 | C75 | sing | 1.53Å | 1.52Å | |
| C74 | C73 | sing | 1.53Å | 1.53Å | |
| C70 | N66 | sing | 1.46Å | 1.46Å | |
| C75 | C73 | sing | 1.53Å | 1.52Å | |
| C73 | N67 | sing | 1.46Å | 1.46Å | |
| O64 | C62 | doub | 1.21Å | 1.22Å | |
| N66 | C62 | sing | 1.35Å | 1.27Å | |
| C62 | C18 | sing | 1.51Å | 1.51Å | |
| N67 | C63 | sing | 1.35Å | 1.27Å | |
| C63 | C19 | sing | 1.51Å | 1.50Å | |
| C63 | O65 | doub | 1.21Å | 1.21Å | |
| C19 | C18 | sing | 1.55Å | 1.52Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C18 | C17 | sing | 1.54Å | 1.53Å | |
| C17 | N12 | sing | 1.47Å | 1.46Å | |
| C20 | N12 | sing | 1.47Å | 1.46Å | |
| N12 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O10 | doub | 1.22Å | 1.22Å | |
| C8 | C1 | sing | 1.48Å | 1.51Å | |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.51Å | |
| O9 | C7 | doub | 1.22Å | 1.21Å | |
| C7 | N11 | sing | 1.35Å | 1.34Å | |
| N11 | C13 | sing | 1.47Å | 1.45Å | |
| N11 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| O37 | C36 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.55Å | 1.51Å | |
| C15 | C21 | sing | 1.51Å | 1.50Å | |
| C14 | C36 | sing | 1.51Å | 1.50Å | |
| C36 | N38 | sing | 1.35Å | 1.28Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C21 | N23 | sing | 1.35Å | 1.34Å | |
| N38 | C40 | sing | 1.47Å | 1.46Å | |
| N23 | C24 | sing | 1.46Å | 1.32Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.29Å | |
| C24 | C26 | sing | 1.53Å | 1.30Å | |
| C41 | C43 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C28 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| N38 | H13 | sing | 0.97Å | 1.00Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C48 | H16 | sing | 1.08Å | 1.08Å | |
| C47 | H17 | sing | 1.08Å | 1.08Å | |
| C46 | H18 | sing | 1.08Å | 1.08Å | |
| C45 | H19 | sing | 1.08Å | 1.08Å | |
| C44 | H20 | sing | 1.08Å | 1.08Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| N66 | H36 | sing | 0.97Å | 1.00Å | |
| C70 | H37 | sing | 1.09Å | 1.10Å | |
| C71 | H38 | sing | 1.09Å | 1.10Å | |
| C71 | H39 | sing | 1.09Å | 1.10Å | |
| C72 | H40 | sing | 1.09Å | 1.10Å | |
| C77 | H41 | sing | 1.08Å | 1.08Å | |
| C78 | H42 | sing | 1.08Å | 1.08Å | |
| C79 | H43 | sing | 1.08Å | 1.08Å | |
| C80 | H44 | sing | 1.08Å | 1.08Å | |
| C81 | H45 | sing | 1.08Å | 1.08Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| N67 | H47 | sing | 0.97Å | 1.00Å | |
| C73 | H48 | sing | 1.09Å | 1.10Å | |
| C75 | H49 | sing | 1.09Å | 1.10Å | |
| C75 | H50 | sing | 1.09Å | 1.10Å | |
| C74 | H51 | sing | 1.09Å | 1.10Å | |
| C83 | H52 | sing | 1.08Å | 1.08Å | |
| C84 | H53 | sing | 1.08Å | 1.08Å | |
| C85 | H54 | sing | 1.08Å | 1.08Å | |
| C86 | H55 | sing | 1.08Å | 1.08Å | |
| C87 | H56 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C84 | C85 | C86 | 120.8° | 120.0° |
| C85 | C84 | C83 | 119.6° | 120.0° |
| C85 | C84 | H53 | 120.2° | 120.0° |
| C84 | C85 | H54 | 119.6° | 120.0° |
| C85 | C86 | C87 | 119.4° | 120.0° |
| C86 | C85 | H54 | 119.6° | 120.0° |
| C85 | C86 | H55 | 120.3° | 120.0° |
| C84 | C83 | C82 | 120.0° | 120.0° |
| C84 | C83 | H52 | 120.0° | 120.0° |
| C83 | C84 | H53 | 120.2° | 120.0° |
| C79 | C80 | C81 | 121.9° | 120.0° |
| C80 | C79 | C78 | 118.4° | 120.0° |
| C80 | C79 | H43 | 120.8° | 120.0° |
| C79 | C80 | H44 | 119.0° | 120.0° |
| C80 | C81 | C76 | 119.4° | 120.0° |
| C81 | C80 | H44 | 119.1° | 120.0° |
| C80 | C81 | H45 | 120.3° | 120.0° |
| C86 | C87 | C82 | 119.7° | 120.1° |
| C87 | C86 | H55 | 120.3° | 120.0° |
| C86 | C87 | H56 | 120.1° | 119.9° |
| C79 | C78 | C77 | 120.0° | 120.0° |
| C79 | C78 | H42 | 120.0° | 120.0° |
| C78 | C79 | H43 | 120.8° | 120.0° |
| C83 | C82 | C87 | 120.5° | 120.0° |
| C83 | C82 | C74 | 118.5° | 120.0° |
| C82 | C83 | H52 | 120.0° | 120.0° |
| C81 | C76 | C77 | 118.7° | 120.0° |
| C81 | C76 | C72 | 122.0° | 120.0° |
| C76 | C81 | H45 | 120.3° | 120.0° |
| C78 | C77 | C76 | 121.7° | 120.0° |
| C78 | C77 | H41 | 119.2° | 120.0° |
| C77 | C78 | H42 | 120.0° | 120.0° |
| C87 | C82 | C74 | 121.0° | 120.0° |
| C82 | C87 | H56 | 120.2° | 120.0° |
| C82 | C74 | C75 | 114.6° | 117.5° |
| C82 | C74 | C73 | 109.4° | 117.5° |
| C82 | C74 | H51 | 120.0° | 115.6° |
| C77 | C76 | C72 | 119.3° | 120.0° |
| C76 | C77 | H41 | 119.2° | 120.0° |
| C76 | C72 | C71 | 115.7° | 117.5° |
| C76 | C72 | C70 | 107.4° | 117.5° |
| C76 | C72 | H40 | 120.1° | 115.6° |
| C72 | C71 | C70 | 60.5° | 60.0° |
| C71 | C72 | C70 | 59.9° | 59.9° |
| C72 | C71 | H38 | 119.9° | 117.5° |
| C72 | C71 | H39 | 119.9° | 117.5° |
| C71 | C72 | H40 | 119.4° | 117.5° |
| C71 | C70 | C72 | 59.6° | 60.1° |
| C71 | C70 | N66 | 107.5° | 117.5° |
| C71 | C70 | H37 | 121.5° | 117.5° |
| C70 | C71 | H38 | 119.9° | 117.5° |
| C70 | C71 | H39 | 119.9° | 117.5° |
| C72 | C70 | N66 | 107.0° | 117.5° |
| C72 | C70 | H37 | 121.3° | 117.5° |
| C70 | C72 | H40 | 119.1° | 117.5° |
| C75 | C74 | C73 | 59.9° | 60.0° |
| C74 | C75 | C73 | 60.4° | 60.0° |
| C74 | C75 | H49 | 119.9° | 117.5° |
| C74 | C75 | H50 | 119.9° | 117.5° |
| C75 | C74 | H51 | 119.3° | 117.5° |
| C74 | C73 | C75 | 59.7° | 60.0° |
| C74 | C73 | N67 | 102.0° | 117.5° |
| C74 | C73 | H48 | 122.2° | 117.5° |
| C73 | C74 | H51 | 119.0° | 117.5° |
| C70 | N66 | C62 | 124.8° | 120.0° |
| C70 | N66 | H36 | 117.6° | 120.0° |
| N66 | C70 | H37 | 123.2° | 115.5° |
| C75 | C73 | N67 | 108.3° | 117.5° |
| C75 | C73 | H48 | 122.4° | 117.5° |
| C73 | C75 | H49 | 119.9° | 117.5° |
| C73 | C75 | H50 | 120.0° | 117.5° |
| C73 | N67 | C63 | 122.9° | 120.0° |
| C73 | N67 | H47 | 118.5° | 120.0° |
| N67 | C73 | H48 | 124.0° | 115.6° |
| O64 | C62 | N66 | 124.0° | 120.0° |
| O64 | C62 | C18 | 120.0° | 120.0° |
| N66 | C62 | C18 | 116.0° | 120.0° |
| C62 | N66 | H36 | 117.6° | 120.0° |
| C62 | C18 | C19 | 109.4° | 110.9° |
| C62 | C18 | C17 | 111.5° | 110.7° |
| C62 | C18 | H35 | 110.0° | 110.6° |
| N67 | C63 | C19 | 118.4° | 120.0° |
| N67 | C63 | O65 | 122.0° | 120.0° |
| C63 | N67 | H47 | 118.5° | 120.0° |
| C19 | C63 | O65 | 119.7° | 120.0° |
| C63 | C19 | C18 | 114.5° | 111.0° |
| C63 | C19 | C20 | 108.7° | 111.0° |
| C63 | C19 | H46 | 109.6° | 110.9° |
| C18 | C19 | C20 | 105.2° | 101.6° |
| C19 | C18 | C17 | 106.3° | 102.9° |
| C19 | C18 | H35 | 109.9° | 110.7° |
| C18 | C19 | H46 | 109.3° | 111.0° |
| C19 | C20 | N12 | 104.1° | 104.9° |
| C19 | C20 | H33 | 110.8° | 110.4° |
| C19 | C20 | H34 | 110.8° | 110.5° |
| C20 | C19 | H46 | 109.3° | 111.0° |
| C18 | C17 | N12 | 103.5° | 107.2° |
| C18 | C17 | H11 | 110.9° | 109.8° |
| C18 | C17 | H12 | 110.9° | 110.0° |
| C17 | C18 | H35 | 109.6° | 110.7° |
| C17 | N12 | C20 | 113.5° | 108.7° |
| C17 | N12 | C8 | 121.7° | 125.6° |
| N12 | C17 | H11 | 111.0° | 109.9° |
| N12 | C17 | H12 | 111.0° | 109.9° |
| C20 | N12 | C8 | 124.8° | 125.7° |
| N12 | C20 | H33 | 110.8° | 110.4° |
| N12 | C20 | H34 | 110.8° | 110.4° |
| N12 | C8 | O10 | 119.1° | 120.0° |
| N12 | C8 | C1 | 126.1° | 120.0° |
| O10 | C8 | C1 | 114.8° | 120.0° |
| C8 | C1 | C6 | 123.6° | 120.0° |
| C8 | C1 | C2 | 117.8° | 120.0° |
| C1 | C6 | C5 | 121.1° | 120.0° |
| C6 | C1 | C2 | 118.5° | 120.0° |
| C1 | C6 | H2 | 119.5° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.0° |
| C6 | C5 | H1 | 120.0° | 120.0° |
| C5 | C6 | H2 | 119.4° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H3 | 119.9° | 120.0° |
| C5 | C4 | C3 | 118.5° | 120.0° |
| C5 | C4 | C7 | 118.3° | 120.0° |
| C4 | C5 | H1 | 120.0° | 120.0° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C3 | C2 | H3 | 119.9° | 120.0° |
| C2 | C3 | H4 | 119.2° | 120.0° |
| C3 | C4 | C7 | 123.2° | 120.0° |
| C4 | C3 | H4 | 119.2° | 120.0° |
| C4 | C7 | O9 | 114.6° | 120.0° |
| C4 | C7 | N11 | 128.0° | 120.0° |
| O9 | C7 | N11 | 117.4° | 120.0° |
| C7 | N11 | C13 | 126.8° | 125.6° |
| C7 | N11 | C16 | 120.2° | 125.6° |
| C13 | N11 | C16 | 113.0° | 108.8° |
| N11 | C13 | C14 | 102.0° | 104.8° |
| N11 | C13 | H5 | 111.3° | 110.4° |
| N11 | C13 | H6 | 111.3° | 110.5° |
| N11 | C16 | C15 | 103.3° | 107.2° |
| N11 | C16 | H9 | 111.0° | 109.9° |
| N11 | C16 | H10 | 111.0° | 110.1° |
| C13 | C14 | C15 | 104.6° | 101.6° |
| C13 | C14 | C36 | 108.4° | 111.0° |
| C14 | C13 | H5 | 111.3° | 110.4° |
| C14 | C13 | H6 | 111.3° | 110.3° |
| C13 | C14 | H7 | 109.7° | 111.0° |
| C16 | C15 | C14 | 102.3° | 102.9° |
| C16 | C15 | C21 | 114.8° | 110.7° |
| C16 | C15 | H8 | 111.0° | 110.8° |
| C15 | C16 | H9 | 111.0° | 109.9° |
| C15 | C16 | H10 | 111.0° | 109.9° |
| O37 | C36 | C14 | 117.0° | 120.0° |
| O37 | C36 | N38 | 122.4° | 120.0° |
| C14 | C15 | C21 | 105.7° | 110.8° |
| C15 | C14 | C36 | 114.1° | 111.0° |
| C15 | C14 | H7 | 109.9° | 111.0° |
| C14 | C15 | H8 | 111.1° | 110.8° |
| C15 | C21 | O22 | 120.5° | 120.0° |
| C15 | C21 | N23 | 114.2° | 120.0° |
| C21 | C15 | H8 | 111.4° | 110.6° |
| C14 | C36 | N38 | 120.5° | 120.0° |
| C36 | C14 | H7 | 110.0° | 110.9° |
| C36 | N38 | C40 | 128.4° | 120.0° |
| C36 | N38 | H13 | 115.8° | 120.0° |
| O22 | C21 | N23 | 125.1° | 120.0° |
| C21 | N23 | C24 | 122.6° | 120.0° |
| C21 | N23 | H23 | 118.7° | 120.0° |
| N38 | C40 | C42 | 108.5° | 117.5° |
| N38 | C40 | C41 | 105.1° | 117.5° |
| C40 | N38 | H13 | 115.8° | 120.0° |
| N38 | C40 | H14 | 123.4° | 115.5° |
| N23 | C24 | C25 | 139.7° | 117.5° |
| N23 | C24 | C26 | 144.1° | 117.5° |
| C24 | N23 | H23 | 118.7° | 120.1° |
| N23 | C24 | H24 | 96.3° | 115.6° |
| C42 | C40 | C41 | 59.5° | 60.0° |
| C40 | C42 | C41 | 61.2° | 60.0° |
| C42 | C40 | H14 | 121.9° | 117.6° |
| C40 | C42 | H21 | 119.8° | 117.5° |
| C40 | C42 | H22 | 119.8° | 117.5° |
| C40 | C41 | C42 | 59.3° | 60.0° |
| C40 | C41 | C43 | 109.0° | 117.5° |
| C41 | C40 | H14 | 121.2° | 117.5° |
| C40 | C41 | H15 | 118.2° | 117.5° |
| C42 | C41 | C43 | 117.6° | 117.5° |
| C42 | C41 | H15 | 118.7° | 117.6° |
| C41 | C42 | H21 | 119.8° | 117.5° |
| C41 | C42 | H22 | 119.8° | 117.5° |
| C25 | C24 | C26 | 71.3° | 60.0° |
| C24 | C25 | C26 | 54.5° | 60.0° |
| C25 | C24 | H24 | 96.5° | 117.5° |
| C24 | C25 | H25 | 120.9° | 117.5° |
| C24 | C25 | H26 | 120.9° | 117.5° |
| C24 | C26 | C25 | 54.2° | 60.0° |
| C24 | C26 | C28 | 135.2° | 117.5° |
| C26 | C24 | H24 | 96.5° | 117.5° |
| C24 | C26 | H27 | 114.2° | 117.5° |
| C41 | C43 | C48 | 122.3° | 120.1° |
| C41 | C43 | C44 | 120.0° | 120.0° |
| C43 | C41 | H15 | 119.1° | 115.5° |
| C25 | C26 | C28 | 109.9° | 117.5° |
| C26 | C25 | H25 | 120.9° | 117.5° |
| C26 | C25 | H26 | 120.9° | 117.5° |
| C25 | C26 | H27 | 110.6° | 117.5° |
| C26 | C28 | C29 | 121.5° | 120.0° |
| C26 | C28 | C33 | 118.8° | 120.0° |
| C28 | C26 | H27 | 110.6° | 115.6° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C29 | C28 | C33 | 119.7° | 120.0° |
| C28 | C29 | H28 | 120.2° | 120.0° |
| C29 | C30 | C31 | 121.1° | 120.0° |
| C30 | C29 | H28 | 120.2° | 120.0° |
| C29 | C30 | H29 | 119.4° | 120.0° |
| C28 | C33 | C32 | 120.3° | 120.0° |
| C28 | C33 | H32 | 119.9° | 120.0° |
| C48 | C43 | C44 | 117.6° | 120.0° |
| C43 | C48 | C47 | 121.2° | 120.0° |
| C43 | C48 | H16 | 119.4° | 120.0° |
| C43 | C44 | C45 | 121.9° | 120.0° |
| C43 | C44 | H20 | 119.0° | 120.0° |
| C48 | C47 | C46 | 120.5° | 120.0° |
| C47 | C48 | H16 | 119.4° | 120.0° |
| C48 | C47 | H17 | 119.7° | 120.0° |
| C30 | C31 | C32 | 119.0° | 120.0° |
| C31 | C30 | H29 | 119.5° | 120.0° |
| C30 | C31 | H30 | 120.5° | 120.0° |
| C33 | C32 | C31 | 120.5° | 120.0° |
| C33 | C32 | H31 | 119.8° | 120.0° |
| C32 | C33 | H32 | 119.8° | 120.0° |
| C44 | C45 | C46 | 119.7° | 120.0° |
| C44 | C45 | H19 | 120.2° | 120.0° |
| C45 | C44 | H20 | 119.0° | 120.0° |
| C47 | C46 | C45 | 119.1° | 120.0° |
| C46 | C47 | H17 | 119.7° | 120.0° |
| C47 | C46 | H18 | 120.5° | 120.0° |
| C32 | C31 | H30 | 120.5° | 120.0° |
| C31 | C32 | H31 | 119.7° | 120.0° |
| C45 | C46 | H18 | 120.4° | 120.0° |
| C46 | C45 | H19 | 120.2° | 120.0° |
| H5 | C13 | H6 | 109.4° | 110.4° |
| H9 | C16 | H10 | 109.4° | 109.9° |
| H11 | C17 | H12 | 109.4° | 109.9° |
| H21 | C42 | H22 | 109.4° | 115.5° |
| H25 | C25 | H26 | 109.4° | 115.6° |
| H33 | C20 | H34 | 109.5° | 110.2° |
| H38 | C71 | H39 | 109.5° | 115.5° |
| H49 | C75 | H50 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C84 | C85 | C86 | H54 | 180.0° | 180.0° |
| C85 | C84 | C83 | H53 | 180.0° | 180.0° |
| C84 | C85 | C86 | C87 | 0.6° | 0.3° |
| C85 | C84 | C83 | C82 | 0.1° | 0.0° |
| C85 | C84 | C83 | H52 | 179.9° | 180.0° |
| C84 | C85 | C86 | H55 | 179.4° | 180.0° |
| C86 | C85 | C84 | C83 | 0.0° | 0.0° |
| C85 | C86 | C87 | H55 | 180.0° | 179.7° |
| C85 | C86 | C87 | C82 | 1.1° | 0.6° |
| C86 | C85 | C84 | H53 | 180.0° | 180.0° |
| C85 | C86 | C87 | H56 | 178.9° | 180.0° |
| C84 | C83 | C82 | H52 | 180.0° | 180.0° |
| C84 | C83 | C82 | C87 | 0.4° | 0.3° |
| C84 | C83 | C82 | C74 | 179.0° | 180.0° |
| C83 | C84 | C85 | H54 | 180.0° | 179.9° |
| C79 | C80 | C81 | H44 | 180.0° | 179.8° |
| C80 | C79 | C78 | H43 | 180.0° | 179.9° |
| C79 | C80 | C81 | C76 | 0.9° | 0.5° |
| C80 | C79 | C78 | C77 | 0.3° | 0.1° |
| C80 | C79 | C78 | H42 | 179.6° | 180.0° |
| C79 | C80 | C81 | H45 | 179.1° | 180.0° |
| C81 | C80 | C79 | C78 | 0.3° | 0.2° |
| C80 | C81 | C76 | H45 | 180.0° | 179.5° |
| C80 | C81 | C76 | C77 | 0.7° | 0.5° |
| C80 | C81 | C76 | C72 | 178.4° | 179.7° |
| C81 | C80 | C79 | H43 | 179.7° | 179.7° |
| C86 | C87 | C82 | C83 | 1.0° | 0.6° |
| C86 | C87 | C82 | H56 | 180.0° | 179.4° |
| C86 | C87 | C82 | C74 | 178.3° | 179.7° |
| C87 | C86 | C85 | H54 | 179.4° | 179.7° |
| C79 | C78 | C77 | H42 | 180.0° | 179.9° |
| C79 | C78 | C77 | C76 | 0.5° | 0.1° |
| C79 | C78 | C77 | H41 | 179.5° | 180.0° |
| C78 | C79 | C80 | H44 | 179.7° | 180.0° |
| C83 | C82 | C87 | C74 | 179.3° | 179.7° |
| C83 | C82 | C74 | C75 | 161.6° | 171.4° |
| C83 | C82 | C74 | C73 | 133.5° | 120.0° |
| C83 | C82 | C74 | H51 | 9.4° | 25.7° |
| C82 | C83 | C84 | H53 | 179.9° | 180.0° |
| C83 | C82 | C87 | H56 | 179.0° | 180.0° |
| C81 | C76 | C77 | C78 | 0.1° | 0.2° |
| C81 | C76 | C77 | C72 | 179.1° | 179.8° |
| C81 | C76 | C72 | C71 | 8.6° | 8.8° |
| C81 | C76 | C72 | C70 | 55.8° | 59.7° |
| C81 | C76 | C72 | H40 | 163.8° | 154.6° |
| C81 | C76 | C77 | H41 | 179.9° | 179.7° |
| C76 | C81 | C80 | H44 | 179.2° | 179.7° |
| C78 | C77 | C76 | H41 | 180.0° | 179.9° |
| C78 | C77 | C76 | C72 | 179.0° | 180.0° |
| C77 | C78 | C79 | H43 | 179.6° | 180.0° |
| C87 | C82 | C74 | C75 | 19.1° | 8.9° |
| C87 | C82 | C74 | C73 | 45.9° | 59.7° |
| C87 | C82 | C74 | H51 | 171.3° | 154.6° |
| C87 | C82 | C83 | H52 | 179.6° | 179.7° |
| C82 | C87 | C86 | H55 | 178.9° | 179.7° |
| C82 | C74 | C75 | C73 | 99.0° | 107.5° |
| C82 | C74 | C75 | H51 | 152.4° | 145.0° |
| C82 | C74 | C73 | H51 | 143.2° | 145.0° |
| C82 | C74 | C73 | N67 | 147.8° | 145.0° |
| C82 | C74 | C73 | H48 | 3.6° | 0.0° |
| C82 | C74 | C75 | H49 | 151.4° | 0.0° |
| C82 | C74 | C75 | H50 | 10.6° | 145.0° |
| C74 | C82 | C83 | H52 | 1.0° | 0.0° |
| C74 | C82 | C87 | H56 | 1.6° | 0.3° |
| C77 | C76 | C72 | C71 | 172.4° | 171.4° |
| C77 | C76 | C72 | C70 | 123.3° | 120.1° |
| C77 | C76 | C72 | H40 | 17.1° | 25.6° |
| C76 | C77 | C78 | H42 | 179.5° | 180.0° |
| C77 | C76 | C81 | H45 | 179.3° | 180.0° |
| C76 | C72 | C71 | C70 | 96.0° | 107.5° |
| C76 | C72 | C71 | H40 | 155.5° | 145.1° |
| C76 | C72 | C70 | H40 | 140.9° | 145.0° |
| C76 | C72 | C70 | N66 | 149.3° | 145.0° |
| C76 | C72 | C70 | H37 | 0.6° | 0.1° |
| C76 | C72 | C71 | H38 | 154.4° | 0.1° |
| C76 | C72 | C71 | H39 | 13.6° | 145.0° |
| C72 | C76 | C77 | H41 | 1.0° | 0.1° |
| C72 | C76 | C81 | H45 | 1.6° | 0.2° |
| C72 | C71 | C70 | H38 | 109.6° | 107.5° |
| C72 | C71 | C70 | H39 | 109.6° | 107.5° |
| C71 | C72 | C70 | H40 | 109.1° | 107.5° |
| C72 | C71 | C70 | N66 | 99.8° | 107.5° |
| C72 | C71 | C70 | H37 | 110.3° | 107.5° |
| C72 | C71 | H38 | H39 | 144.4° | 145.6° |
| C71 | C70 | N66 | H37 | 149.4° | 145.7° |
| C71 | C70 | N66 | C62 | 79.8° | 136.3° |
| C71 | C70 | N66 | H36 | 100.2° | 43.7° |
| C70 | C71 | H38 | H39 | 144.5° | 145.7° |
| C72 | C70 | N66 | H37 | 148.0° | 145.6° |
| C72 | C70 | N66 | C62 | 142.5° | 155.0° |
| C72 | C70 | N66 | H36 | 37.5° | 25.0° |
| C75 | C74 | C73 | H51 | 108.9° | 107.5° |
| C74 | C75 | C73 | H49 | 109.6° | 107.5° |
| C74 | C75 | C73 | H50 | 109.6° | 107.5° |
| C75 | C74 | C73 | N67 | 104.4° | 107.5° |
| C75 | C74 | C73 | H48 | 111.5° | 107.5° |
| C74 | C75 | H49 | H50 | 144.5° | 145.7° |
| C74 | C73 | N67 | H48 | 143.3° | 145.7° |
| C74 | C73 | N67 | C63 | 158.3° | 149.9° |
| C74 | C73 | N67 | H47 | 21.7° | 30.0° |
| C70 | N66 | C62 | O64 | 0.3° | 0.0° |
| C70 | N66 | C62 | H36 | 180.0° | 180.0° |
| C70 | N66 | C62 | C18 | 179.1° | 179.9° |
| N66 | C70 | C71 | H38 | 9.8° | 145.1° |
| N66 | C70 | C71 | H39 | 150.6° | 0.0° |
| N66 | C70 | C72 | H40 | 8.4° | 0.1° |
| C75 | C73 | N67 | H48 | 154.9° | 145.7° |
| C75 | C73 | N67 | C63 | 139.9° | 141.4° |
| C75 | C73 | N67 | H47 | 40.1° | 38.6° |
| C73 | C75 | H49 | H50 | 144.6° | 145.7° |
| C73 | N67 | C63 | H47 | 180.0° | 179.9° |
| C73 | N67 | C63 | C19 | 2.9° | 175.0° |
| C73 | N67 | C63 | O65 | 178.7° | 4.9° |
| N67 | C73 | C75 | H49 | 16.1° | 145.0° |
| N67 | C73 | C75 | H50 | 157.0° | 0.0° |
| N67 | C73 | C74 | H51 | 4.5° | 0.0° |
| O64 | C62 | N66 | C18 | 179.4° | 179.9° |
| O64 | C62 | C18 | C19 | 54.5° | 5.0° |
| O64 | C62 | C18 | C17 | 62.8° | 118.6° |
| O64 | C62 | C18 | H35 | 175.3° | 118.3° |
| O64 | C62 | N66 | H36 | 179.7° | 180.0° |
| N66 | C62 | C18 | C19 | 124.9° | 175.1° |
| N66 | C62 | C18 | C17 | 117.7° | 61.5° |
| N66 | C62 | C18 | H35 | 4.1° | 61.6° |
| C62 | N66 | C70 | H37 | 69.6° | 9.5° |
| C62 | C18 | C19 | C63 | 93.1° | 88.0° |
| C62 | C18 | C19 | C17 | 120.6° | 118.4° |
| C62 | C18 | C19 | H35 | 120.9° | 123.2° |
| C62 | C18 | C19 | C20 | 147.6° | 153.9° |
| C62 | C18 | C17 | H35 | 122.1° | 123.1° |
| C62 | C18 | C17 | N12 | 137.2° | 140.7° |
| C62 | C18 | C17 | H11 | 18.1° | 99.8° |
| C62 | C18 | C17 | H12 | 103.7° | 21.2° |
| C18 | C62 | N66 | H36 | 0.9° | 0.0° |
| C62 | C18 | C19 | H46 | 30.3° | 35.9° |
| N67 | C63 | C19 | O65 | 178.4° | 179.9° |
| N67 | C63 | C19 | C18 | 119.9° | 175.6° |
| N67 | C63 | C19 | C20 | 122.8° | 63.5° |
| N67 | C63 | C19 | H46 | 3.3° | 60.5° |
| C63 | N67 | C73 | H48 | 15.0° | 4.2° |
| C63 | C19 | C18 | C20 | 119.3° | 118.1° |
| C63 | C19 | C18 | H46 | 123.4° | 123.9° |
| C63 | C19 | C20 | H46 | 119.6° | 123.9° |
| C63 | C19 | C18 | C17 | 146.3° | 153.6° |
| C63 | C19 | C20 | N12 | 148.1° | 155.1° |
| C63 | C19 | C20 | H33 | 28.9° | 86.1° |
| C63 | C19 | C20 | H34 | 92.8° | 36.1° |
| C63 | C19 | C18 | H35 | 27.7° | 35.2° |
| C19 | C63 | N67 | H47 | 177.1° | 5.1° |
| O65 | C63 | C19 | C18 | 61.7° | 4.5° |
| O65 | C63 | C19 | C20 | 55.6° | 116.6° |
| O65 | C63 | C19 | H46 | 175.0° | 119.4° |
| O65 | C63 | N67 | H47 | 1.3° | 175.0° |
| C18 | C19 | C20 | H46 | 117.3° | 118.0° |
| C19 | C18 | C17 | H35 | 118.7° | 118.4° |
| C19 | C18 | C17 | N12 | 18.0° | 22.2° |
| C18 | C19 | C20 | N12 | 25.0° | 37.0° |
| C19 | C18 | C17 | H11 | 101.0° | 141.6° |
| C19 | C18 | C17 | H12 | 137.1° | 97.3° |
| C18 | C19 | C20 | H33 | 94.1° | 155.9° |
| C18 | C19 | C20 | H34 | 144.2° | 81.9° |
| C20 | C19 | C18 | C17 | 27.0° | 35.5° |
| C19 | C20 | N12 | C17 | 14.4° | 24.1° |
| C19 | C20 | N12 | H33 | 119.1° | 118.9° |
| C19 | C20 | N12 | H34 | 119.1° | 119.0° |
| C19 | C20 | N12 | C8 | 167.0° | 155.9° |
| C19 | C20 | H33 | H34 | 122.5° | 122.3° |
| C20 | C19 | C18 | H35 | 91.6° | 82.9° |
| C18 | C17 | N12 | H11 | 119.0° | 119.4° |
| C18 | C17 | N12 | H12 | 119.1° | 119.6° |
| C18 | C17 | N12 | C20 | 2.2° | 1.0° |
| C18 | C17 | N12 | C8 | 176.4° | 178.9° |
| C18 | C17 | H11 | H12 | 122.7° | 121.1° |
| C17 | C18 | C19 | H46 | 90.3° | 82.5° |
| C17 | N12 | C20 | C8 | 178.5° | 180.0° |
| C17 | N12 | C8 | O10 | 10.6° | 4.2° |
| C17 | N12 | C8 | C1 | 169.7° | 175.5° |
| N12 | C17 | H11 | H12 | 122.8° | 121.1° |
| C17 | N12 | C20 | H33 | 104.7° | 143.0° |
| C17 | N12 | C20 | H34 | 133.6° | 94.9° |
| N12 | C17 | C18 | H35 | 100.7° | 96.2° |
| C20 | N12 | C8 | O10 | 171.0° | 175.8° |
| C20 | N12 | C8 | C1 | 8.8° | 4.5° |
| C20 | N12 | C17 | H11 | 116.9° | 118.3° |
| C20 | N12 | C17 | H12 | 121.2° | 120.6° |
| N12 | C20 | H33 | H34 | 122.5° | 122.2° |
| N12 | C20 | C19 | H46 | 92.3° | 81.0° |
| N12 | C8 | O10 | C1 | 179.8° | 179.7° |
| N12 | C8 | C1 | C6 | 54.0° | 146.3° |
| N12 | C8 | C1 | C2 | 129.8° | 33.8° |
| C8 | N12 | C17 | H11 | 64.5° | 61.7° |
| C8 | N12 | C17 | H12 | 57.4° | 59.4° |
| C8 | N12 | C20 | H33 | 73.9° | 37.0° |
| C8 | N12 | C20 | H34 | 47.9° | 85.2° |
| O10 | C8 | C1 | C6 | 125.8° | 33.4° |
| O10 | C8 | C1 | C2 | 50.4° | 146.5° |
| C8 | C1 | C6 | C2 | 176.2° | 179.9° |
| C8 | C1 | C6 | C5 | 178.7° | 180.0° |
| C8 | C1 | C2 | C3 | 177.8° | 179.7° |
| C8 | C1 | C6 | H2 | 1.3° | 0.0° |
| C8 | C1 | C2 | H3 | 2.3° | 0.2° |
| C1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 2.0° | 0.0° |
| C6 | C1 | C2 | C3 | 1.4° | 0.2° |
| C1 | C6 | C5 | H1 | 178.0° | 179.7° |
| C6 | C1 | C2 | H3 | 178.6° | 179.7° |
| C5 | C6 | C1 | C2 | 2.6° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C6 | C5 | C4 | C7 | 177.9° | 179.6° |
| C1 | C2 | C3 | H3 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 0.4° | 0.6° |
| C2 | C1 | C6 | H2 | 177.5° | 179.9° |
| C1 | C2 | C3 | H4 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.6° |
| C5 | C4 | C3 | C7 | 177.9° | 180.0° |
| C5 | C4 | C7 | O9 | 41.9° | 171.5° |
| C5 | C4 | C7 | N11 | 139.3° | 8.6° |
| C4 | C5 | C6 | H2 | 178.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.4° |
| C2 | C3 | C4 | C7 | 178.9° | 179.4° |
| C3 | C4 | C7 | O9 | 136.1° | 8.5° |
| C3 | C4 | C7 | N11 | 42.8° | 171.5° |
| C3 | C4 | C5 | H1 | 179.8° | 180.0° |
| C4 | C3 | C2 | H3 | 179.6° | 180.0° |
| C4 | C7 | O9 | N11 | 179.0° | 180.0° |
| C4 | C7 | N11 | C13 | 2.3° | 174.6° |
| C4 | C7 | N11 | C16 | 179.1° | 5.5° |
| C7 | C4 | C5 | H1 | 2.1° | 0.1° |
| C7 | C4 | C3 | H4 | 1.1° | 0.1° |
| O9 | C7 | N11 | C13 | 179.0° | 5.4° |
| O9 | C7 | N11 | C16 | 0.3° | 174.5° |
| C7 | N11 | C13 | C16 | 178.7° | 179.9° |
| C7 | N11 | C13 | C14 | 169.6° | 155.9° |
| C7 | N11 | C16 | C15 | 166.6° | 179.0° |
| C7 | N11 | C13 | H5 | 50.8° | 85.3° |
| C7 | N11 | C13 | H6 | 71.5° | 37.1° |
| C7 | N11 | C16 | H9 | 47.6° | 59.6° |
| C7 | N11 | C16 | H10 | 74.4° | 61.5° |
| N11 | C13 | C14 | H5 | 118.8° | 118.8° |
| N11 | C13 | C14 | H6 | 118.8° | 118.9° |
| C13 | N11 | C16 | C15 | 12.2° | 1.1° |
| N11 | C13 | C14 | C15 | 31.2° | 37.0° |
| N11 | C13 | C14 | C36 | 153.2° | 155.1° |
| N11 | C13 | H5 | H6 | 123.4° | 122.4° |
| N11 | C13 | C14 | H7 | 86.6° | 81.1° |
| C13 | N11 | C16 | H9 | 131.2° | 120.5° |
| C13 | N11 | C16 | H10 | 106.9° | 118.4° |
| C16 | N11 | C13 | C14 | 11.7° | 24.2° |
| N11 | C16 | C15 | H9 | 119.0° | 119.4° |
| N11 | C16 | C15 | H10 | 119.0° | 119.6° |
| N11 | C16 | C15 | C14 | 30.9° | 22.2° |
| N11 | C16 | C15 | C21 | 144.8° | 140.6° |
| C16 | N11 | C13 | H5 | 130.5° | 94.6° |
| C16 | N11 | C13 | H6 | 107.2° | 143.0° |
| N11 | C16 | C15 | H8 | 87.8° | 96.3° |
| N11 | C16 | H9 | H10 | 122.9° | 121.3° |
| C13 | C14 | C15 | C16 | 38.9° | 35.5° |
| C13 | C14 | C36 | O37 | 49.5° | 118.5° |
| C13 | C14 | C15 | C36 | 118.2° | 118.1° |
| C13 | C14 | C15 | H7 | 117.7° | 118.1° |
| C13 | C14 | C15 | C21 | 159.3° | 153.9° |
| C13 | C14 | C36 | H7 | 119.9° | 123.9° |
| C13 | C14 | C36 | N38 | 128.3° | 61.5° |
| C14 | C13 | H5 | H6 | 123.5° | 122.2° |
| C13 | C14 | C15 | H8 | 79.7° | 83.0° |
| C16 | C15 | C14 | C21 | 120.4° | 118.4° |
| C16 | C15 | C14 | H8 | 118.6° | 118.5° |
| C16 | C15 | C21 | H8 | 127.2° | 123.3° |
| C16 | C15 | C14 | C36 | 157.1° | 153.6° |
| C16 | C15 | C21 | O22 | 36.0° | 117.9° |
| C16 | C15 | C21 | N23 | 148.7° | 62.1° |
| C16 | C15 | C14 | H7 | 78.8° | 82.6° |
| C15 | C16 | H9 | H10 | 122.9° | 121.0° |
| O37 | C36 | C14 | C15 | 66.5° | 6.4° |
| O37 | C36 | C14 | N38 | 177.9° | 180.0° |
| O37 | C36 | N38 | C40 | 177.6° | 0.0° |
| O37 | C36 | C14 | H7 | 169.5° | 117.5° |
| O37 | C36 | N38 | H13 | 2.4° | 180.0° |
| C14 | C15 | C21 | H8 | 120.8° | 123.2° |
| C15 | C14 | C36 | H7 | 124.0° | 123.9° |
| C15 | C14 | C36 | N38 | 115.6° | 173.7° |
| C14 | C15 | C21 | O22 | 76.0° | 4.4° |
| C14 | C15 | C21 | N23 | 99.3° | 175.6° |
| C15 | C14 | C13 | H5 | 149.9° | 81.8° |
| C15 | C14 | C13 | H6 | 87.7° | 156.0° |
| C14 | C15 | C16 | H9 | 149.9° | 97.2° |
| C14 | C15 | C16 | H10 | 88.2° | 141.8° |
| C21 | C15 | C14 | C36 | 82.4° | 88.1° |
| C15 | C21 | O22 | N23 | 174.7° | 180.0° |
| C15 | C21 | N23 | C24 | 174.6° | 175.0° |
| C21 | C15 | C14 | H7 | 41.7° | 35.8° |
| C21 | C15 | C16 | H9 | 96.2° | 21.2° |
| C21 | C15 | C16 | H10 | 25.8° | 99.8° |
| C15 | C21 | N23 | H23 | 5.4° | 5.0° |
| C14 | C36 | N38 | C40 | 4.6° | 180.0° |
| C36 | C14 | C13 | H5 | 88.0° | 36.2° |
| C36 | C14 | C13 | H6 | 34.4° | 86.0° |
| C36 | C14 | C15 | H8 | 38.6° | 35.1° |
| C14 | C36 | N38 | H13 | 175.4° | 0.0° |
| C36 | N38 | C40 | H13 | 180.0° | 180.0° |
| C36 | N38 | C40 | C42 | 130.7° | 136.4° |
| C36 | N38 | C40 | C41 | 166.9° | 155.0° |
| N38 | C36 | C14 | H7 | 8.4° | 62.4° |
| C36 | N38 | C40 | H14 | 21.9° | 9.3° |
| O22 | C21 | N23 | C24 | 10.4° | 5.0° |
| O22 | C21 | C15 | H8 | 163.2° | 118.8° |
| O22 | C21 | N23 | H23 | 169.6° | 174.9° |
| C21 | N23 | C24 | H23 | 180.0° | 180.0° |
| C21 | N23 | C24 | C25 | 24.0° | 141.6° |
| C21 | N23 | C24 | C26 | 165.8° | 149.8° |
| N23 | C21 | C15 | H8 | 21.5° | 61.2° |
| C21 | N23 | C24 | H24 | 83.9° | 4.1° |
| N38 | C40 | C42 | C41 | 97.0° | 107.5° |
| N38 | C40 | C42 | H14 | 153.1° | 145.0° |
| N38 | C40 | C41 | H14 | 146.0° | 145.0° |
| N38 | C40 | C41 | C43 | 145.6° | 145.0° |
| N38 | C40 | C41 | H15 | 5.5° | 0.0° |
| N38 | C40 | C42 | H21 | 153.2° | 145.0° |
| N38 | C40 | C42 | H22 | 12.8° | 0.0° |
| N23 | C24 | C25 | C26 | 157.4° | 107.4° |
| N23 | C24 | C25 | H24 | 107.9° | 145.1° |
| N23 | C24 | C26 | H24 | 110.3° | 145.1° |
| N23 | C24 | C26 | C28 | 122.4° | 145.0° |
| N23 | C24 | C25 | H25 | 94.6° | 145.0° |
| N23 | C24 | C25 | H26 | 49.5° | 0.0° |
| N23 | C24 | C26 | H27 | 56.3° | 0.0° |
| C42 | C40 | C41 | H14 | 111.1° | 107.5° |
| C40 | C42 | C41 | H21 | 109.8° | 107.5° |
| C40 | C42 | C41 | H22 | 109.8° | 107.6° |
| C42 | C40 | C41 | C43 | 111.5° | 107.5° |
| C42 | C40 | N38 | H13 | 49.3° | 43.6° |
| C42 | C40 | C41 | H15 | 108.4° | 107.5° |
| C40 | C42 | H21 | H22 | 144.1° | 145.7° |
| C40 | C41 | C43 | H15 | 139.8° | 145.6° |
| C40 | C41 | C43 | C48 | 45.4° | 120.0° |
| C40 | C41 | C43 | C44 | 132.0° | 59.8° |
| C41 | C40 | N38 | H13 | 13.1° | 25.0° |
| C42 | C41 | C43 | H15 | 155.7° | 145.8° |
| C42 | C41 | C43 | C48 | 19.1° | 171.4° |
| C42 | C41 | C43 | C44 | 163.5° | 8.8° |
| C41 | C42 | H21 | H22 | 144.1° | 145.6° |
| C25 | C24 | C26 | H24 | 94.7° | 107.4° |
| C24 | C25 | C26 | H25 | 108.0° | 107.4° |
| C24 | C25 | C26 | H26 | 107.9° | 107.5° |
| C25 | C24 | C26 | C28 | 82.6° | 107.5° |
| C25 | C24 | N23 | H23 | 156.0° | 38.5° |
| C24 | C25 | H25 | H26 | 147.8° | 145.6° |
| C25 | C24 | C26 | H27 | 98.7° | 107.5° |
| C24 | C26 | C28 | H27 | 178.7° | 145.7° |
| C24 | C26 | C28 | C29 | 97.9° | 65.2° |
| C24 | C26 | C28 | C33 | 85.2° | 115.1° |
| C26 | C24 | N23 | H23 | 14.3° | 30.1° |
| C41 | C43 | C48 | C44 | 177.5° | 179.8° |
| C41 | C43 | C48 | C47 | 177.6° | 180.0° |
| C41 | C43 | C44 | C45 | 178.6° | 179.7° |
| C43 | C41 | C40 | H14 | 0.4° | 0.0° |
| C41 | C43 | C48 | H16 | 2.4° | 0.0° |
| C41 | C43 | C44 | H20 | 1.4° | 0.0° |
| C43 | C41 | C42 | H21 | 13.1° | 0.1° |
| C43 | C41 | C42 | H22 | 153.5° | 145.0° |
| C25 | C26 | C28 | H27 | 122.4° | 145.7° |
| C25 | C26 | C28 | C29 | 156.7° | 3.4° |
| C25 | C26 | C28 | C33 | 26.4° | 176.3° |
| C26 | C25 | H25 | H26 | 147.8° | 145.7° |
| C26 | C28 | C29 | C33 | 176.9° | 179.7° |
| C26 | C28 | C29 | C30 | 177.3° | 180.0° |
| C26 | C28 | C33 | C32 | 178.1° | 179.8° |
| C28 | C26 | C24 | H24 | 12.1° | 0.0° |
| C28 | C26 | C25 | H25 | 24.0° | 0.0° |
| C28 | C26 | C25 | H26 | 120.1° | 145.1° |
| C26 | C28 | C29 | H28 | 2.7° | 0.0° |
| C26 | C28 | C33 | H32 | 1.9° | 0.0° |
| C28 | C29 | C30 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.1° |
| C29 | C28 | C33 | C32 | 1.1° | 0.5° |
| C29 | C28 | C26 | H27 | 80.9° | 149.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C33 | H32 | 178.8° | 179.7° |
| C30 | C29 | C28 | C33 | 0.4° | 0.3° |
| C29 | C30 | C31 | H29 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | H30 | 179.8° | 180.0° |
| C28 | C33 | C32 | H32 | 180.0° | 179.8° |
| C28 | C33 | C32 | C31 | 1.4° | 0.4° |
| C33 | C28 | C26 | H27 | 96.0° | 30.6° |
| C33 | C28 | C29 | H28 | 179.6° | 179.7° |
| C28 | C33 | C32 | H31 | 178.6° | 179.8° |
| C43 | C48 | C47 | H16 | 180.0° | 180.0° |
| C48 | C43 | C44 | C45 | 1.0° | 0.5° |
| C43 | C48 | C47 | C46 | 0.4° | 0.0° |
| C48 | C43 | C41 | H15 | 174.8° | 25.6° |
| C43 | C48 | C47 | H17 | 179.6° | 180.0° |
| C48 | C43 | C44 | H20 | 179.0° | 179.8° |
| C44 | C43 | C48 | C47 | 0.2° | 0.3° |
| C43 | C44 | C45 | H20 | 180.0° | 179.7° |
| C43 | C44 | C45 | C46 | 1.4° | 0.5° |
| C44 | C43 | C41 | H15 | 7.8° | 154.6° |
| C44 | C43 | C48 | H16 | 179.8° | 179.8° |
| C43 | C44 | C45 | H19 | 178.6° | 179.8° |
| C48 | C47 | C46 | H17 | 180.0° | 180.0° |
| C48 | C47 | C46 | C45 | 0.1° | 0.0° |
| C48 | C47 | C46 | H18 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 1.0° | 0.2° |
| C30 | C31 | C32 | H30 | 180.0° | 179.9° |
| C31 | C30 | C29 | H28 | 180.0° | 180.0° |
| C30 | C31 | C32 | H31 | 179.0° | 180.0° |
| C33 | C32 | C31 | H31 | 180.0° | 179.8° |
| C33 | C32 | C31 | H30 | 179.0° | 179.8° |
| C44 | C45 | C46 | C47 | 0.8° | 0.3° |
| C44 | C45 | C46 | H19 | 180.0° | 179.8° |
| C44 | C45 | C46 | H18 | 179.2° | 179.8° |
| C47 | C46 | C45 | H18 | 180.0° | 179.9° |
| C46 | C47 | C48 | H16 | 179.6° | 180.0° |
| C47 | C46 | C45 | H19 | 179.2° | 180.0° |
| C32 | C31 | C30 | H29 | 179.7° | 180.0° |
| C31 | C32 | C33 | H32 | 178.5° | 179.8° |
| C45 | C46 | C47 | H17 | 179.9° | 180.0° |
| C46 | C45 | C44 | H20 | 178.6° | 179.8° |
| H1 | C5 | C6 | H2 | 2.0° | 0.3° |
| H3 | C2 | C3 | H4 | 0.4° | 0.6° |
| H5 | C13 | C14 | H7 | 32.2° | 160.1° |
| H6 | C13 | C14 | H7 | 154.6° | 37.8° |
| H7 | C14 | C15 | H8 | 162.7° | 158.9° |
| H8 | C15 | C16 | H9 | 31.2° | 144.3° |
| H8 | C15 | C16 | H10 | 153.2° | 23.3° |
| H11 | C17 | C18 | H35 | 140.2° | 23.2° |
| H12 | C17 | C18 | H35 | 18.4° | 144.3° |
| H13 | N38 | C40 | H14 | 158.2° | 170.7° |
| H14 | C40 | C41 | H15 | 140.5° | 144.9° |
| H14 | C40 | C42 | H21 | 0.1° | 0.0° |
| H14 | C40 | C42 | H22 | 140.2° | 145.0° |
| H15 | C41 | C42 | H21 | 142.6° | 145.0° |
| H15 | C41 | C42 | H22 | 2.3° | 0.1° |
| H16 | C48 | C47 | H17 | 0.4° | 0.0° |
| H17 | C47 | C46 | H18 | 0.1° | 0.1° |
| H18 | C46 | C45 | H19 | 0.8° | 0.0° |
| H19 | C45 | C44 | H20 | 1.4° | 0.0° |
| H23 | N23 | C24 | H24 | 96.1° | 175.8° |
| H24 | C24 | C25 | H25 | 13.2° | 0.0° |
| H24 | C24 | C25 | H26 | 157.4° | 145.0° |
| H24 | C24 | C26 | H27 | 166.6° | 145.0° |
| H25 | C25 | C26 | H27 | 146.4° | 145.1° |
| H26 | C25 | C26 | H27 | 2.3° | 0.0° |
| H28 | C29 | C30 | H29 | 0.0° | 0.0° |
| H29 | C30 | C31 | H30 | 0.3° | 0.1° |
| H30 | C31 | C32 | H31 | 1.0° | 0.1° |
| H31 | C32 | C33 | H32 | 1.5° | 0.0° |
| H33 | C20 | C19 | H46 | 148.6° | 37.8° |
| H34 | C20 | C19 | H46 | 26.9° | 160.0° |
| H35 | C18 | C19 | H46 | 151.1° | 159.1° |
| H36 | N66 | C70 | H37 | 110.4° | 170.6° |
| H37 | C70 | C71 | H38 | 140.2° | 0.0° |
| H37 | C70 | C71 | H39 | 0.6° | 145.1° |
| H37 | C70 | C72 | H40 | 140.3° | 145.0° |
| H38 | C71 | C72 | H40 | 1.1° | 145.0° |
| H39 | C71 | C72 | H40 | 141.8° | 0.1° |
| H41 | C77 | C78 | H42 | 0.5° | 0.1° |
| H42 | C78 | C79 | H43 | 0.4° | 0.1° |
| H43 | C79 | C80 | H44 | 0.3° | 0.1° |
| H44 | C80 | C81 | H45 | 0.8° | 0.2° |
| H47 | N67 | C73 | H48 | 165.0° | 175.7° |
| H48 | C73 | C75 | H49 | 139.3° | 0.0° |
| H48 | C73 | C75 | H50 | 1.6° | 145.0° |
| H48 | C73 | C74 | H51 | 139.6° | 145.0° |
| H49 | C75 | C74 | H51 | 1.0° | 145.0° |
| H50 | C75 | C74 | H51 | 141.8° | 0.0° |
| H52 | C83 | C84 | H53 | 0.2° | 0.1° |
| H53 | C84 | C85 | H54 | 0.1° | 0.0° |
| H54 | C85 | C86 | H55 | 0.6° | 0.0° |
| H55 | C86 | C87 | H56 | 1.1° | 0.3° |
