VKA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C30 | doub | 1.21Å | 1.20Å | |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.60Å | |
| C30 | N26 | sing | 1.35Å | 1.50Å | |
| O22 | C19 | sing | 1.43Å | 1.37Å | |
| C32 | C33 | sing | 1.53Å | 1.57Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.59Å | |
| C33 | C34 | sing | 1.53Å | 1.57Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.55Å | 1.54Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| N26 | C24 | sing | 1.47Å | 1.42Å | |
| C18 | N17 | sing | 1.47Å | 1.31Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C24 | C21 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| N17 | C21 | sing | 1.35Å | 1.48Å | |
| N17 | C16 | sing | 1.47Å | 1.62Å | |
| C20 | C16 | sing | 1.54Å | 1.28Å | |
| C21 | O23 | doub | 1.21Å | 1.17Å | |
| C16 | C14 | sing | 1.51Å | 1.55Å | |
| C29 | C25 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.51Å | 1.57Å | |
| C25 | C28 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.35Å | 1.42Å | |
| C14 | O15 | doub | 1.21Å | 1.20Å | |
| N13 | C12 | sing | 1.47Å | 1.44Å | |
| O42 | C40 | doub | 1.21Å | 1.17Å | |
| C40 | N41 | sing | 1.35Å | 1.48Å | |
| C10 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.56Å | |
| C7 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N41 | C43 | sing | 1.46Å | 1.49Å | |
| C6 | C1 | sing | 1.48Å | 1.54Å | |
| C6 | C | doub | 1.40Å | 1.41Å | Aromatic |
| S3 | C1 | sing | 1.76Å | 1.70Å | Aromatic |
| S3 | C4 | sing | 1.71Å | 1.68Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C9 | C | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | N5 | doub | 1.29Å | 1.33Å | Aromatic |
| C2 | N5 | sing | 1.31Å | 1.36Å | Aromatic |
| C2 | C87 | sing | 1.51Å | 1.52Å | |
| C57 | C56 | doub | 1.38Å | 1.41Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.41Å | Aromatic |
| C44 | N45 | sing | 1.47Å | 1.29Å | |
| C51 | N45 | sing | 1.47Å | 1.37Å | |
| C51 | C50 | sing | 1.53Å | 1.53Å | |
| N45 | C47 | sing | 1.47Å | 1.37Å | |
| C56 | C55 | sing | 1.39Å | 1.42Å | Aromatic |
| C58 | C53 | doub | 1.38Å | 1.44Å | Aromatic |
| C50 | N49 | sing | 1.47Å | 1.35Å | |
| C64 | C63 | doub | 1.38Å | 1.40Å | Aromatic |
| C64 | C59 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C55 | C59 | sing | 1.48Å | 1.54Å | |
| C55 | C54 | doub | 1.39Å | 1.42Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | sing | 1.51Å | 1.59Å | |
| N49 | C48 | sing | 1.47Å | 1.37Å | |
| N49 | C52 | sing | 1.47Å | 1.28Å | |
| C63 | C62 | sing | 1.39Å | 1.39Å | Aromatic |
| C59 | C60 | doub | 1.39Å | 1.38Å | Aromatic |
| C66 | N65 | sing | 1.47Å | 1.47Å | |
| C66 | C67 | sing | 1.53Å | 1.52Å | |
| C62 | N65 | sing | 1.40Å | 1.47Å | |
| C62 | C61 | doub | 1.40Å | 1.41Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.38Å | Aromatic |
| N65 | C70 | sing | 1.47Å | 1.46Å | |
| C61 | N72 | sing | 1.40Å | 1.45Å | |
| C67 | N68 | sing | 1.47Å | 1.39Å | |
| C70 | C69 | sing | 1.53Å | 1.54Å | |
| N68 | C69 | sing | 1.47Å | 1.35Å | |
| N68 | C71 | sing | 1.47Å | 1.29Å | |
| O85 | C73 | doub | 1.22Å | 1.18Å | |
| N72 | C73 | sing | 1.35Å | 1.45Å | |
| C73 | C74 | sing | 1.48Å | 1.57Å | |
| F84 | C80 | sing | 1.40Å | 1.36Å | |
| F83 | C80 | sing | 1.40Å | 1.37Å | |
| C74 | C75 | sing | 1.46Å | 1.42Å | |
| C74 | C79 | doub | 1.36Å | 1.38Å | |
| C80 | C79 | sing | 1.51Å | 1.53Å | |
| C80 | F82 | sing | 1.40Å | 1.37Å | |
| C75 | N76 | doub | 1.30Å | 1.34Å | |
| C79 | C78 | sing | 1.52Å | 1.44Å | |
| N76 | C77 | sing | 1.34Å | 1.33Å | |
| C78 | C77 | sing | 1.51Å | 1.41Å | |
| C77 | O86 | doub | 1.21Å | 1.39Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| N13 | H9 | sing | 0.97Å | 1.00Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| O22 | H15 | sing | 0.97Å | 0.95Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| N26 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| N41 | H45 | sing | 0.97Å | 1.00Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H51 | sing | 1.09Å | 1.10Å | |
| C47 | H52 | sing | 1.09Å | 1.10Å | |
| C48 | H53 | sing | 1.09Å | 1.10Å | |
| C48 | H54 | sing | 1.09Å | 1.10Å | |
| C50 | H56 | sing | 1.09Å | 1.10Å | |
| C50 | H57 | sing | 1.09Å | 1.10Å | |
| C51 | H58 | sing | 1.09Å | 1.10Å | |
| C51 | H59 | sing | 1.09Å | 1.10Å | |
| C52 | H60 | sing | 1.09Å | 1.10Å | |
| C52 | H61 | sing | 1.09Å | 1.10Å | |
| C54 | H62 | sing | 1.08Å | 1.08Å | |
| C56 | H63 | sing | 1.08Å | 1.08Å | |
| C57 | H64 | sing | 1.08Å | 1.08Å | |
| C58 | H65 | sing | 1.08Å | 1.08Å | |
| C60 | H66 | sing | 1.08Å | 1.08Å | |
| C63 | H67 | sing | 1.08Å | 1.08Å | |
| C64 | H68 | sing | 1.08Å | 1.08Å | |
| C66 | H69 | sing | 1.09Å | 1.10Å | |
| C66 | H70 | sing | 1.09Å | 1.10Å | |
| C67 | H71 | sing | 1.09Å | 1.10Å | |
| C67 | H72 | sing | 1.09Å | 1.10Å | |
| C69 | H74 | sing | 1.09Å | 1.10Å | |
| C69 | H75 | sing | 1.09Å | 1.10Å | |
| C70 | H76 | sing | 1.09Å | 1.10Å | |
| C70 | H77 | sing | 1.09Å | 1.10Å | |
| C71 | H78 | sing | 1.09Å | 1.10Å | |
| C71 | H79 | sing | 1.09Å | 1.10Å | |
| C71 | H80 | sing | 1.09Å | 1.10Å | |
| N72 | H81 | sing | 0.97Å | 1.00Å | |
| C75 | H82 | sing | 1.08Å | 1.08Å | |
| C78 | H83 | sing | 1.09Å | 1.10Å | |
| C78 | H84 | sing | 1.09Å | 1.10Å | |
| C87 | H85 | sing | 1.09Å | 1.10Å | |
| C87 | H86 | sing | 1.09Å | 1.10Å | |
| C87 | H87 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C30 | C31 | 120.5° | 120.0° |
| O32 | C30 | N26 | 120.5° | 120.0° |
| C30 | C31 | C32 | 112.5° | 109.5° |
| C31 | C30 | N26 | 118.9° | 120.0° |
| C30 | C31 | H27 | 108.7° | 109.5° |
| C30 | C31 | H28 | 108.7° | 109.5° |
| C31 | C32 | C33 | 112.3° | 109.5° |
| C32 | C31 | H27 | 108.7° | 109.5° |
| C32 | C31 | H28 | 108.7° | 109.4° |
| C31 | C32 | H29 | 108.7° | 109.5° |
| C31 | C32 | H30 | 108.7° | 109.4° |
| C30 | N26 | C24 | 120.4° | 120.0° |
| C30 | N26 | H17 | 119.8° | 120.0° |
| O22 | C19 | C18 | 109.2° | 111.0° |
| O22 | C19 | C20 | 109.9° | 110.9° |
| O22 | C19 | H12 | 113.0° | 110.9° |
| C19 | O22 | H15 | 109.5° | 114.0° |
| C32 | C33 | C34 | 112.4° | 109.4° |
| C33 | C32 | H29 | 108.8° | 109.5° |
| C33 | C32 | H30 | 108.8° | 109.5° |
| C32 | C33 | H31 | 108.7° | 109.5° |
| C32 | C33 | H32 | 108.7° | 109.4° |
| C34 | C35 | C36 | 112.4° | 109.5° |
| C35 | C34 | C33 | 112.2° | 109.4° |
| C35 | C34 | H33 | 108.8° | 109.4° |
| C35 | C34 | H34 | 108.8° | 109.5° |
| C34 | C35 | H35 | 108.7° | 109.5° |
| C34 | C35 | H36 | 108.7° | 109.5° |
| C35 | C36 | C37 | 112.4° | 109.5° |
| C36 | C35 | H35 | 108.7° | 109.4° |
| C36 | C35 | H36 | 108.8° | 109.4° |
| C35 | C36 | H37 | 108.7° | 109.4° |
| C35 | C36 | H38 | 108.7° | 109.4° |
| C34 | C33 | H31 | 108.7° | 109.5° |
| C34 | C33 | H32 | 108.7° | 109.5° |
| C33 | C34 | H33 | 108.8° | 109.5° |
| C33 | C34 | H34 | 108.8° | 109.5° |
| C36 | C37 | C38 | 112.5° | 109.5° |
| C37 | C36 | H37 | 108.7° | 109.5° |
| C37 | C36 | H38 | 108.7° | 109.5° |
| C36 | C37 | H39 | 108.7° | 109.4° |
| C36 | C37 | H40 | 108.7° | 109.5° |
| C37 | C38 | C39 | 112.4° | 109.5° |
| C38 | C37 | H39 | 108.7° | 109.5° |
| C38 | C37 | H40 | 108.7° | 109.5° |
| C37 | C38 | H41 | 108.8° | 109.5° |
| C37 | C38 | H42 | 108.7° | 109.5° |
| C18 | C19 | C20 | 103.6° | 101.6° |
| C19 | C18 | N17 | 103.4° | 104.8° |
| C19 | C18 | H10 | 111.0° | 110.3° |
| C19 | C18 | H11 | 111.0° | 110.5° |
| C18 | C19 | H12 | 110.3° | 111.0° |
| C19 | C20 | C16 | 104.8° | 102.9° |
| C20 | C19 | H12 | 110.5° | 111.0° |
| C19 | C20 | H13 | 110.6° | 110.7° |
| C19 | C20 | H14 | 110.6° | 110.7° |
| N26 | C24 | C21 | 108.1° | 109.5° |
| N26 | C24 | C25 | 107.7° | 109.5° |
| N26 | C24 | H16 | 112.1° | 109.4° |
| C24 | N26 | H17 | 119.8° | 120.0° |
| C18 | N17 | C21 | 128.1° | 125.6° |
| C18 | N17 | C16 | 109.6° | 108.7° |
| N17 | C18 | H10 | 110.9° | 110.4° |
| N17 | C18 | H11 | 111.0° | 110.3° |
| C38 | C39 | C40 | 112.4° | 109.5° |
| C39 | C38 | H41 | 108.7° | 109.5° |
| C39 | C38 | H42 | 108.8° | 109.5° |
| C38 | C39 | H43 | 108.7° | 109.5° |
| C38 | C39 | H44 | 108.8° | 109.5° |
| C21 | C24 | C25 | 108.6° | 109.5° |
| C24 | C21 | N17 | 120.3° | 120.0° |
| C24 | C21 | O23 | 121.9° | 120.0° |
| C21 | C24 | H16 | 110.4° | 109.5° |
| C24 | C25 | C29 | 109.4° | 109.5° |
| C24 | C25 | C28 | 109.2° | 109.5° |
| C24 | C25 | C27 | 109.8° | 109.5° |
| C25 | C24 | H16 | 109.8° | 109.5° |
| C21 | N17 | C16 | 122.3° | 125.7° |
| N17 | C21 | O23 | 117.8° | 120.0° |
| N17 | C16 | C20 | 105.9° | 107.4° |
| N17 | C16 | C14 | 112.0° | 109.9° |
| N17 | C16 | H7 | 108.3° | 109.8° |
| C20 | C16 | C14 | 108.4° | 109.9° |
| C20 | C16 | H7 | 113.2° | 109.9° |
| C16 | C20 | H13 | 110.6° | 110.6° |
| C16 | C20 | H14 | 110.6° | 110.9° |
| C16 | C14 | N13 | 120.1° | 120.0° |
| C16 | C14 | O15 | 119.9° | 120.0° |
| C14 | C16 | H7 | 109.1° | 109.9° |
| C29 | C25 | C28 | 109.6° | 109.5° |
| C29 | C25 | C27 | 109.3° | 109.5° |
| C25 | C29 | H24 | 109.5° | 109.4° |
| C25 | C29 | H25 | 109.5° | 109.5° |
| C25 | C29 | H26 | 109.5° | 109.5° |
| C39 | C40 | O42 | 120.0° | 120.0° |
| C39 | C40 | N41 | 120.0° | 120.0° |
| C40 | C39 | H43 | 108.8° | 109.4° |
| C40 | C39 | H44 | 108.7° | 109.5° |
| C28 | C25 | C27 | 109.5° | 109.5° |
| C25 | C28 | H21 | 109.5° | 109.5° |
| C25 | C28 | H22 | 109.5° | 109.5° |
| C25 | C28 | H23 | 109.5° | 109.5° |
| C25 | C27 | H18 | 109.5° | 109.5° |
| C25 | C27 | H19 | 109.4° | 109.5° |
| C25 | C27 | H20 | 109.5° | 109.5° |
| N13 | C14 | O15 | 120.0° | 120.0° |
| C14 | N13 | C12 | 120.2° | 120.0° |
| C14 | N13 | H9 | 119.9° | 120.0° |
| N13 | C12 | C11 | 104.0° | 109.5° |
| N13 | C12 | H5 | 110.8° | 109.5° |
| N13 | C12 | H6 | 110.9° | 109.5° |
| C12 | N13 | H9 | 119.9° | 120.0° |
| O42 | C40 | N41 | 120.0° | 120.0° |
| C40 | N41 | C43 | 120.0° | 120.0° |
| C40 | N41 | H45 | 120.0° | 120.0° |
| C7 | C10 | C11 | 120.6° | 120.1° |
| C10 | C7 | C6 | 118.5° | 119.9° |
| C10 | C7 | H2 | 120.7° | 120.1° |
| C7 | C10 | H4 | 119.7° | 119.9° |
| C10 | C11 | C12 | 119.6° | 119.9° |
| C10 | C11 | C9 | 120.2° | 120.3° |
| C11 | C10 | H4 | 119.7° | 119.9° |
| C12 | C11 | C9 | 120.2° | 119.9° |
| C11 | C12 | H5 | 110.8° | 109.5° |
| C11 | C12 | H6 | 110.8° | 109.5° |
| C7 | C6 | C1 | 121.0° | 120.2° |
| C7 | C6 | C | 120.8° | 119.7° |
| C6 | C7 | H2 | 120.7° | 120.1° |
| C11 | C9 | C | 119.5° | 120.2° |
| C11 | C9 | H3 | 120.2° | 119.9° |
| N41 | C43 | C44 | 110.8° | 109.5° |
| C43 | N41 | H45 | 120.0° | 120.0° |
| N41 | C43 | H46 | 109.1° | 109.5° |
| N41 | C43 | H47 | 109.1° | 109.5° |
| C1 | C6 | C | 118.2° | 120.1° |
| C6 | C1 | S3 | 125.9° | 126.1° |
| C6 | C1 | C2 | 128.5° | 126.1° |
| C6 | C | C9 | 120.3° | 119.8° |
| C6 | C | H8 | 119.8° | 120.1° |
| C1 | S3 | C4 | 95.8° | 90.3° |
| S3 | C1 | C2 | 105.6° | 107.8° |
| S3 | C4 | N5 | 108.9° | 110.4° |
| S3 | C4 | H1 | 125.6° | 124.8° |
| C43 | C44 | N45 | 111.3° | 109.5° |
| C44 | C43 | H46 | 109.1° | 109.5° |
| C44 | C43 | H47 | 109.1° | 109.4° |
| C43 | C44 | H48 | 109.0° | 109.5° |
| C43 | C44 | H49 | 109.0° | 109.5° |
| C | C9 | H3 | 120.2° | 119.9° |
| C9 | C | H8 | 119.8° | 120.1° |
| C1 | C2 | N5 | 114.9° | 114.2° |
| C1 | C2 | C87 | 123.4° | 122.9° |
| C4 | N5 | C2 | 114.9° | 117.3° |
| N5 | C4 | H1 | 125.5° | 124.8° |
| N5 | C2 | C87 | 121.6° | 122.9° |
| C2 | C87 | H85 | 109.5° | 109.5° |
| C2 | C87 | H86 | 109.5° | 109.5° |
| C2 | C87 | H87 | 109.4° | 109.5° |
| C56 | C57 | C58 | 120.3° | 120.1° |
| C57 | C56 | C55 | 119.5° | 119.9° |
| C57 | C56 | H63 | 120.2° | 120.0° |
| C56 | C57 | H64 | 119.9° | 120.0° |
| C57 | C58 | C53 | 120.2° | 120.2° |
| C58 | C57 | H64 | 119.9° | 119.9° |
| C57 | C58 | H65 | 119.9° | 119.9° |
| C44 | N45 | C51 | 110.0° | 111.0° |
| C44 | N45 | C47 | 109.7° | 111.0° |
| N45 | C44 | H48 | 109.0° | 109.5° |
| N45 | C44 | H49 | 109.0° | 109.4° |
| N45 | C51 | C50 | 113.4° | 109.3° |
| C51 | N45 | C47 | 113.6° | 110.9° |
| N45 | C51 | H58 | 108.5° | 109.4° |
| N45 | C51 | H59 | 108.5° | 109.5° |
| C51 | C50 | N49 | 110.3° | 109.3° |
| C51 | C50 | H56 | 109.3° | 109.5° |
| C51 | C50 | H57 | 109.3° | 109.6° |
| C50 | C51 | H58 | 108.5° | 109.4° |
| C50 | C51 | H59 | 108.5° | 109.5° |
| N45 | C47 | C48 | 113.3° | 109.3° |
| N45 | C47 | H51 | 108.5° | 109.5° |
| N45 | C47 | H52 | 108.5° | 109.5° |
| C56 | C55 | C59 | 121.8° | 120.1° |
| C56 | C55 | C54 | 120.3° | 119.7° |
| C55 | C56 | H63 | 120.2° | 120.1° |
| C58 | C53 | C54 | 119.3° | 120.1° |
| C58 | C53 | C52 | 119.8° | 120.0° |
| C53 | C58 | H65 | 119.9° | 119.9° |
| C50 | N49 | C48 | 111.6° | 110.9° |
| C50 | N49 | C52 | 113.8° | 111.0° |
| N49 | C50 | H56 | 109.3° | 109.5° |
| N49 | C50 | H57 | 109.3° | 109.5° |
| C63 | C64 | C59 | 119.6° | 120.1° |
| C64 | C63 | C62 | 119.1° | 120.1° |
| C64 | C63 | H67 | 120.5° | 119.9° |
| C63 | C64 | H68 | 120.2° | 120.0° |
| C64 | C59 | C55 | 122.1° | 120.0° |
| C64 | C59 | C60 | 121.3° | 120.0° |
| C59 | C64 | H68 | 120.2° | 119.9° |
| C47 | C48 | N49 | 110.5° | 109.3° |
| C48 | C47 | H51 | 108.5° | 109.5° |
| C48 | C47 | H52 | 108.5° | 109.5° |
| C47 | C48 | H53 | 109.2° | 109.5° |
| C47 | C48 | H54 | 109.2° | 109.5° |
| C59 | C55 | C54 | 117.9° | 120.1° |
| C55 | C59 | C60 | 116.7° | 120.0° |
| C55 | C54 | C53 | 120.4° | 119.9° |
| C55 | C54 | H62 | 119.8° | 120.0° |
| C54 | C53 | C52 | 120.9° | 119.9° |
| C53 | C54 | H62 | 119.8° | 120.1° |
| C53 | C52 | N49 | 113.4° | 109.5° |
| C53 | C52 | H60 | 108.5° | 109.5° |
| C53 | C52 | H61 | 108.5° | 109.5° |
| C48 | N49 | C52 | 113.0° | 110.9° |
| N49 | C48 | H53 | 109.2° | 109.5° |
| N49 | C48 | H54 | 109.2° | 109.6° |
| N49 | C52 | H60 | 108.5° | 109.5° |
| N49 | C52 | H61 | 108.5° | 109.5° |
| C63 | C62 | N65 | 121.9° | 120.0° |
| C63 | C62 | C61 | 120.3° | 120.0° |
| C62 | C63 | H67 | 120.4° | 119.9° |
| C59 | C60 | C61 | 119.3° | 119.9° |
| C59 | C60 | H66 | 120.4° | 120.1° |
| N65 | C66 | C67 | 113.0° | 109.4° |
| C66 | N65 | C62 | 117.4° | 111.0° |
| C66 | N65 | C70 | 107.6° | 110.9° |
| N65 | C66 | H69 | 108.6° | 109.5° |
| N65 | C66 | H70 | 108.5° | 109.4° |
| C66 | C67 | N68 | 111.6° | 109.4° |
| C67 | C66 | H69 | 108.6° | 109.5° |
| C67 | C66 | H70 | 108.6° | 109.5° |
| C66 | C67 | H71 | 109.0° | 109.5° |
| C66 | C67 | H72 | 108.9° | 109.5° |
| N65 | C62 | C61 | 117.7° | 120.0° |
| C62 | N65 | C70 | 115.7° | 110.9° |
| C62 | C61 | C60 | 120.4° | 119.9° |
| C62 | C61 | N72 | 125.0° | 120.1° |
| C60 | C61 | N72 | 114.5° | 120.0° |
| C61 | C60 | H66 | 120.4° | 120.1° |
| N65 | C70 | C69 | 113.0° | 109.3° |
| N65 | C70 | H76 | 108.6° | 109.5° |
| N65 | C70 | H77 | 108.6° | 109.5° |
| C61 | N72 | C73 | 123.2° | 120.0° |
| C61 | N72 | H81 | 118.4° | 120.0° |
| C67 | N68 | C69 | 112.4° | 110.9° |
| C67 | N68 | C71 | 109.1° | 111.0° |
| N68 | C67 | H71 | 108.9° | 109.5° |
| N68 | C67 | H72 | 108.9° | 109.5° |
| C70 | C69 | N68 | 111.5° | 109.4° |
| C70 | C69 | H74 | 109.0° | 109.5° |
| C70 | C69 | H75 | 109.0° | 109.5° |
| C69 | C70 | H76 | 108.5° | 109.4° |
| C69 | C70 | H77 | 108.6° | 109.5° |
| C69 | N68 | C71 | 107.8° | 111.0° |
| N68 | C69 | H74 | 109.0° | 109.5° |
| N68 | C69 | H75 | 109.0° | 109.4° |
| N68 | C71 | H78 | 109.5° | 109.5° |
| N68 | C71 | H79 | 109.5° | 109.5° |
| N68 | C71 | H80 | 109.4° | 109.4° |
| O85 | C73 | N72 | 123.6° | 120.0° |
| O85 | C73 | C74 | 123.1° | 120.0° |
| N72 | C73 | C74 | 113.0° | 120.0° |
| C73 | N72 | H81 | 118.4° | 120.0° |
| C73 | C74 | C75 | 114.3° | 119.9° |
| C73 | C74 | C79 | 125.4° | 119.9° |
| F84 | C80 | F83 | 109.5° | 109.4° |
| F84 | C80 | C79 | 109.5° | 109.5° |
| F84 | C80 | F82 | 109.5° | 109.5° |
| F83 | C80 | C79 | 109.3° | 109.4° |
| F83 | C80 | F82 | 109.5° | 109.5° |
| C75 | C74 | C79 | 120.3° | 120.2° |
| C74 | C75 | N76 | 121.5° | 123.3° |
| C74 | C75 | H82 | 119.2° | 118.3° |
| C74 | C79 | C80 | 121.7° | 121.3° |
| C74 | C79 | C78 | 116.6° | 117.3° |
| C79 | C80 | F82 | 109.5° | 109.5° |
| C80 | C79 | C78 | 121.7° | 121.3° |
| C75 | N76 | C77 | 120.4° | 122.9° |
| N76 | C75 | H82 | 119.2° | 118.3° |
| C79 | C78 | C77 | 119.6° | 117.2° |
| C79 | C78 | H83 | 106.9° | 108.0° |
| C79 | C78 | H84 | 106.9° | 107.7° |
| N76 | C77 | C78 | 121.6° | 119.1° |
| N76 | C77 | O86 | 118.2° | 120.4° |
| C78 | C77 | O86 | 120.2° | 120.5° |
| C77 | C78 | H83 | 106.9° | 107.9° |
| C77 | C78 | H84 | 106.9° | 107.9° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 110.3° |
| H13 | C20 | H14 | 109.5° | 110.8° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.4° | 109.5° |
| H21 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.4° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.5° | 109.4° |
| H31 | C33 | H32 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.4° | 109.4° |
| H37 | C36 | H38 | 109.5° | 109.5° |
| H39 | C37 | H40 | 109.4° | 109.5° |
| H41 | C38 | H42 | 109.4° | 109.4° |
| H43 | C39 | H44 | 109.4° | 109.5° |
| H46 | C43 | H47 | 109.5° | 109.5° |
| H48 | C44 | H49 | 109.5° | 109.5° |
| H51 | C47 | H52 | 109.5° | 109.5° |
| H53 | C48 | H54 | 109.5° | 109.5° |
| H56 | C50 | H57 | 109.5° | 109.5° |
| H58 | C51 | H59 | 109.5° | 109.5° |
| H60 | C52 | H61 | 109.5° | 109.5° |
| H69 | C66 | H70 | 109.5° | 109.5° |
| H71 | C67 | H72 | 109.4° | 109.5° |
| H74 | C69 | H75 | 109.5° | 109.5° |
| H76 | C70 | H77 | 109.5° | 109.5° |
| H78 | C71 | H79 | 109.4° | 109.5° |
| H78 | C71 | H80 | 109.5° | 109.5° |
| H79 | C71 | H80 | 109.5° | 109.5° |
| H83 | C78 | H84 | 109.4° | 107.7° |
| H85 | C87 | H86 | 109.5° | 109.4° |
| H85 | C87 | H87 | 109.5° | 109.5° |
| H86 | C87 | H87 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C30 | C31 | N26 | 180.0° | 180.0° |
| O32 | C30 | C31 | C32 | 142.5° | 0.0° |
| O32 | C30 | N26 | C24 | 0.0° | 0.0° |
| O32 | C30 | N26 | H17 | 180.0° | 180.0° |
| O32 | C30 | C31 | H27 | 22.0° | 120.0° |
| O32 | C30 | C31 | H28 | 97.1° | 120.0° |
| C30 | C31 | C32 | H27 | 120.5° | 120.0° |
| C30 | C31 | C32 | H28 | 120.4° | 120.0° |
| C30 | C31 | C32 | C33 | 35.9° | 180.0° |
| C31 | C30 | N26 | C24 | 180.0° | 180.0° |
| C31 | C30 | N26 | H17 | 0.0° | 0.0° |
| C30 | C31 | H27 | H28 | 118.6° | 120.0° |
| C30 | C31 | C32 | H29 | 156.3° | 59.9° |
| C30 | C31 | C32 | H30 | 84.6° | 60.0° |
| C32 | C31 | C30 | N26 | 37.5° | 180.0° |
| C31 | C32 | C33 | H29 | 120.4° | 120.1° |
| C31 | C32 | C33 | H30 | 120.4° | 120.0° |
| C31 | C32 | C33 | C34 | 136.0° | 180.0° |
| C32 | C31 | H27 | H28 | 118.6° | 119.9° |
| C31 | C32 | H29 | H30 | 118.7° | 119.9° |
| C31 | C32 | C33 | H31 | 103.5° | 60.0° |
| C31 | C32 | C33 | H32 | 15.6° | 60.0° |
| C30 | N26 | C24 | H17 | 180.0° | 180.0° |
| C30 | N26 | C24 | C21 | 106.0° | 155.0° |
| C30 | N26 | C24 | C25 | 136.9° | 85.0° |
| C30 | N26 | C24 | H16 | 16.0° | 35.0° |
| N26 | C30 | C31 | H27 | 157.9° | 60.0° |
| N26 | C30 | C31 | H28 | 82.9° | 60.0° |
| O22 | C19 | C18 | C20 | 117.1° | 118.0° |
| O22 | C19 | C18 | H12 | 124.7° | 123.9° |
| O22 | C19 | C20 | H12 | 125.4° | 123.8° |
| O22 | C19 | C18 | N17 | 88.0° | 81.1° |
| O22 | C19 | C20 | C16 | 79.9° | 82.7° |
| O22 | C19 | C18 | H10 | 153.0° | 37.8° |
| O22 | C19 | C18 | H11 | 31.0° | 160.0° |
| O22 | C19 | C20 | H13 | 39.4° | 159.1° |
| O22 | C19 | C20 | H14 | 160.9° | 35.8° |
| C32 | C33 | C34 | C35 | 120.4° | 180.0° |
| C32 | C33 | C34 | H31 | 120.4° | 120.0° |
| C32 | C33 | C34 | H32 | 120.5° | 120.0° |
| C33 | C32 | C31 | H27 | 84.6° | 60.0° |
| C33 | C32 | C31 | H28 | 156.3° | 60.0° |
| C33 | C32 | H29 | H30 | 118.7° | 120.0° |
| C32 | C33 | H31 | H32 | 118.7° | 120.0° |
| C32 | C33 | C34 | H33 | 119.2° | 60.0° |
| C32 | C33 | C34 | H34 | 0.0° | 60.0° |
| C34 | C35 | C36 | H35 | 120.5° | 120.0° |
| C34 | C35 | C36 | H36 | 120.5° | 120.1° |
| C35 | C34 | C33 | H33 | 120.4° | 119.9° |
| C35 | C34 | C33 | H34 | 120.4° | 120.0° |
| C34 | C35 | C36 | C37 | 154.3° | 180.0° |
| C35 | C34 | C33 | H31 | 119.2° | 60.0° |
| C35 | C34 | C33 | H32 | 0.1° | 60.0° |
| C35 | C34 | H33 | H34 | 118.8° | 120.0° |
| C34 | C35 | H35 | H36 | 118.6° | 120.0° |
| C34 | C35 | C36 | H37 | 33.9° | 60.0° |
| C34 | C35 | C36 | H38 | 85.2° | 59.9° |
| C36 | C35 | C34 | C33 | 112.7° | 180.0° |
| C35 | C36 | C37 | H37 | 120.4° | 119.9° |
| C35 | C36 | C37 | H38 | 120.5° | 120.0° |
| C35 | C36 | C37 | C38 | 143.8° | 180.0° |
| C36 | C35 | C34 | H33 | 7.7° | 60.0° |
| C36 | C35 | C34 | H34 | 126.9° | 60.0° |
| C36 | C35 | H35 | H36 | 118.7° | 119.9° |
| C35 | C36 | H37 | H38 | 118.7° | 120.0° |
| C35 | C36 | C37 | H39 | 23.3° | 60.0° |
| C35 | C36 | C37 | H40 | 95.8° | 60.0° |
| C34 | C33 | C32 | H29 | 15.6° | 60.0° |
| C34 | C33 | C32 | H30 | 103.5° | 60.0° |
| C34 | C33 | H31 | H32 | 118.7° | 120.1° |
| C33 | C34 | H33 | H34 | 118.8° | 120.1° |
| C33 | C34 | C35 | H35 | 7.8° | 60.0° |
| C33 | C34 | C35 | H36 | 126.8° | 60.0° |
| C36 | C37 | C38 | H39 | 120.5° | 119.9° |
| C36 | C37 | C38 | H40 | 120.5° | 120.0° |
| C36 | C37 | C38 | C39 | 83.4° | 180.0° |
| C37 | C36 | C35 | H35 | 85.2° | 60.0° |
| C37 | C36 | C35 | H36 | 33.9° | 59.9° |
| C37 | C36 | H37 | H38 | 118.6° | 120.1° |
| C36 | C37 | H39 | H40 | 118.6° | 120.0° |
| C36 | C37 | C38 | H41 | 37.1° | 60.0° |
| C36 | C37 | C38 | H42 | 156.2° | 59.9° |
| C37 | C38 | C39 | H41 | 120.5° | 120.0° |
| C37 | C38 | C39 | H42 | 120.4° | 120.1° |
| C37 | C38 | C39 | C40 | 139.1° | 180.0° |
| C38 | C37 | C36 | H37 | 95.8° | 60.0° |
| C38 | C37 | C36 | H38 | 23.3° | 60.0° |
| C38 | C37 | H39 | H40 | 118.6° | 120.0° |
| C37 | C38 | H41 | H42 | 118.6° | 120.0° |
| C37 | C38 | C39 | H43 | 100.5° | 60.0° |
| C37 | C38 | C39 | H44 | 18.6° | 60.0° |
| C18 | C19 | C20 | H12 | 118.1° | 118.1° |
| C19 | C18 | N17 | H10 | 119.0° | 118.8° |
| C19 | C18 | N17 | H11 | 119.0° | 119.0° |
| C19 | C18 | N17 | C21 | 166.1° | 155.8° |
| C19 | C18 | N17 | C16 | 13.1° | 24.1° |
| C18 | C19 | C20 | C16 | 36.6° | 35.4° |
| C19 | C18 | H10 | H11 | 122.8° | 122.4° |
| C18 | C19 | C20 | H13 | 155.9° | 82.9° |
| C18 | C19 | C20 | H14 | 82.6° | 153.9° |
| C18 | C19 | O22 | H15 | 180.0° | 61.4° |
| C20 | C19 | C18 | N17 | 29.1° | 36.9° |
| C19 | C20 | C16 | N17 | 28.1° | 22.1° |
| C19 | C20 | C16 | H13 | 119.3° | 118.3° |
| C19 | C20 | C16 | H14 | 119.3° | 118.4° |
| C19 | C20 | C16 | C14 | 148.4° | 141.5° |
| C19 | C20 | C16 | H7 | 90.4° | 97.4° |
| C20 | C19 | C18 | H10 | 89.9° | 155.8° |
| C20 | C19 | C18 | H11 | 148.1° | 81.9° |
| C19 | C20 | H13 | H14 | 122.2° | 123.2° |
| C20 | C19 | O22 | H15 | 67.0° | 173.7° |
| N26 | C24 | C21 | C25 | 116.6° | 120.0° |
| N26 | C24 | C21 | H16 | 122.9° | 120.0° |
| N26 | C24 | C25 | H16 | 122.3° | 120.0° |
| N26 | C24 | C21 | N17 | 141.4° | 146.4° |
| N26 | C24 | C21 | O23 | 39.2° | 33.6° |
| N26 | C24 | C25 | C29 | 70.0° | 65.2° |
| N26 | C24 | C25 | C28 | 170.0° | 174.8° |
| N26 | C24 | C25 | C27 | 49.9° | 54.8° |
| C18 | N17 | C21 | C24 | 0.8° | 5.0° |
| C18 | N17 | C21 | C16 | 179.1° | 179.9° |
| C18 | N17 | C16 | C20 | 10.1° | 1.1° |
| C18 | N17 | C21 | O23 | 179.7° | 174.9° |
| C18 | N17 | C16 | C14 | 128.1° | 118.4° |
| C18 | N17 | C16 | H7 | 111.6° | 120.6° |
| N17 | C18 | H10 | H11 | 122.8° | 122.2° |
| N17 | C18 | C19 | H12 | 147.3° | 155.1° |
| C38 | C39 | C40 | H43 | 120.4° | 120.0° |
| C38 | C39 | C40 | H44 | 120.5° | 120.0° |
| C38 | C39 | C40 | O42 | 42.8° | 0.0° |
| C38 | C39 | C40 | N41 | 137.2° | 180.0° |
| C39 | C38 | C37 | H39 | 156.2° | 60.1° |
| C39 | C38 | C37 | H40 | 37.1° | 60.0° |
| C39 | C38 | H41 | H42 | 118.7° | 120.0° |
| C38 | C39 | H43 | H44 | 118.7° | 120.1° |
| C21 | C24 | C25 | H16 | 120.9° | 120.0° |
| C24 | C21 | N17 | O23 | 179.5° | 179.9° |
| C24 | C21 | N17 | C16 | 179.9° | 174.9° |
| C21 | C24 | C25 | C29 | 173.1° | 174.8° |
| C21 | C24 | C25 | C28 | 53.2° | 54.8° |
| C21 | C24 | C25 | C27 | 66.9° | 65.2° |
| C21 | C24 | N26 | H17 | 74.0° | 25.0° |
| C25 | C24 | C21 | N17 | 102.1° | 93.5° |
| C25 | C24 | C21 | O23 | 77.4° | 86.4° |
| C24 | C25 | C29 | C28 | 119.7° | 120.0° |
| C24 | C25 | C29 | C27 | 120.3° | 120.0° |
| C24 | C25 | C28 | C27 | 120.2° | 120.0° |
| C25 | C24 | N26 | H17 | 43.1° | 95.0° |
| C24 | C25 | C27 | H18 | 180.0° | 60.0° |
| C24 | C25 | C27 | H19 | 60.0° | 180.0° |
| C24 | C25 | C27 | H20 | 60.0° | 60.0° |
| C24 | C25 | C28 | H21 | 180.0° | 64.6° |
| C24 | C25 | C28 | H22 | 60.0° | 175.5° |
| C24 | C25 | C28 | H23 | 60.0° | 55.4° |
| C24 | C25 | C29 | H24 | 180.0° | 60.0° |
| C24 | C25 | C29 | H25 | 60.0° | 180.0° |
| C24 | C25 | C29 | H26 | 60.0° | 60.0° |
| C21 | N17 | C16 | C20 | 170.6° | 178.8° |
| C21 | N17 | C16 | C14 | 52.7° | 61.7° |
| C21 | N17 | C16 | H7 | 67.6° | 59.4° |
| C21 | N17 | C18 | H10 | 74.9° | 37.0° |
| C21 | N17 | C18 | H11 | 47.1° | 85.2° |
| N17 | C21 | C24 | H16 | 18.4° | 26.5° |
| N17 | C16 | C20 | C14 | 120.3° | 119.5° |
| N17 | C16 | C20 | H7 | 118.5° | 119.4° |
| C16 | N17 | C21 | O23 | 0.6° | 5.2° |
| N17 | C16 | C14 | H7 | 119.8° | 121.0° |
| N17 | C16 | C14 | N13 | 142.4° | 179.7° |
| N17 | C16 | C14 | O15 | 38.4° | 0.3° |
| C16 | N17 | C18 | H10 | 105.9° | 142.9° |
| C16 | N17 | C18 | H11 | 132.1° | 94.8° |
| N17 | C16 | C20 | H13 | 147.4° | 96.2° |
| N17 | C16 | C20 | H14 | 91.2° | 140.4° |
| C20 | C16 | C14 | H7 | 123.7° | 121.1° |
| C20 | C16 | C14 | N13 | 101.2° | 61.7° |
| C20 | C16 | C14 | O15 | 78.0° | 118.2° |
| C16 | C20 | C19 | H12 | 154.7° | 153.5° |
| C16 | C20 | H13 | H14 | 122.1° | 123.4° |
| O23 | C21 | C24 | H16 | 162.1° | 153.6° |
| C16 | C14 | N13 | O15 | 179.2° | 179.9° |
| C16 | C14 | N13 | C12 | 179.1° | 180.0° |
| C16 | C14 | N13 | H9 | 0.9° | 0.0° |
| C14 | C16 | C20 | H13 | 92.3° | 23.2° |
| C14 | C16 | C20 | H14 | 29.1° | 100.1° |
| C29 | C25 | C28 | C27 | 120.0° | 120.0° |
| C29 | C25 | C24 | H16 | 52.3° | 54.7° |
| C29 | C25 | C27 | H18 | 60.0° | 180.0° |
| C29 | C25 | C27 | H19 | 60.0° | 60.0° |
| C29 | C25 | C27 | H20 | 180.0° | 60.0° |
| C29 | C25 | C28 | H21 | 60.2° | 55.4° |
| C29 | C25 | C28 | H22 | 179.8° | 64.6° |
| C29 | C25 | C28 | H23 | 59.8° | 175.4° |
| C25 | C29 | H24 | H25 | 120.0° | 120.0° |
| C25 | C29 | H24 | H26 | 120.0° | 120.0° |
| C25 | C29 | H25 | H26 | 120.0° | 120.0° |
| C39 | C40 | O42 | N41 | 180.0° | 180.0° |
| C39 | C40 | N41 | C43 | 180.0° | 179.9° |
| C40 | C39 | C38 | H41 | 18.6° | 60.0° |
| C40 | C39 | C38 | H42 | 100.5° | 59.9° |
| C40 | C39 | H43 | H44 | 118.7° | 120.0° |
| C39 | C40 | N41 | H45 | 0.0° | 0.0° |
| C28 | C25 | C24 | H16 | 67.7° | 65.2° |
| C28 | C25 | C27 | H18 | 60.2° | 60.0° |
| C28 | C25 | C27 | H19 | 179.8° | 60.0° |
| C28 | C25 | C27 | H20 | 59.9° | 180.0° |
| C25 | C28 | H21 | H22 | 120.0° | 120.0° |
| C25 | C28 | H21 | H23 | 120.0° | 120.0° |
| C25 | C28 | H22 | H23 | 120.0° | 120.0° |
| C28 | C25 | C29 | H24 | 60.3° | 180.0° |
| C28 | C25 | C29 | H25 | 59.7° | 60.0° |
| C28 | C25 | C29 | H26 | 179.7° | 60.0° |
| C27 | C25 | C24 | H16 | 172.3° | 174.8° |
| C25 | C27 | H18 | H19 | 120.0° | 120.0° |
| C25 | C27 | H18 | H20 | 120.0° | 120.0° |
| C25 | C27 | H19 | H20 | 120.0° | 120.0° |
| C27 | C25 | C28 | H21 | 59.8° | 175.5° |
| C27 | C25 | C28 | H22 | 60.2° | 55.5° |
| C27 | C25 | C28 | H23 | 179.8° | 64.6° |
| C27 | C25 | C29 | H24 | 59.7° | 60.0° |
| C27 | C25 | C29 | H25 | 179.8° | 60.0° |
| C27 | C25 | C29 | H26 | 60.3° | 180.0° |
| C14 | N13 | C12 | H9 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 98.2° | 180.0° |
| C14 | N13 | C12 | H5 | 20.9° | 60.0° |
| C14 | N13 | C12 | H6 | 142.7° | 60.0° |
| N13 | C14 | C16 | H7 | 22.5° | 59.3° |
| O15 | C14 | N13 | C12 | 0.1° | 0.0° |
| O15 | C14 | C16 | H7 | 158.2° | 120.7° |
| O15 | C14 | N13 | H9 | 179.9° | 180.0° |
| N13 | C12 | C11 | C10 | 6.8° | 90.0° |
| N13 | C12 | C11 | H5 | 119.1° | 120.0° |
| N13 | C12 | C11 | H6 | 119.1° | 120.0° |
| N13 | C12 | C11 | C9 | 173.0° | 90.0° |
| N13 | C12 | H5 | H6 | 122.6° | 120.0° |
| O42 | C40 | N41 | C43 | 0.0° | 0.0° |
| O42 | C40 | C39 | H43 | 77.7° | 120.0° |
| O42 | C40 | C39 | H44 | 163.2° | 120.0° |
| O42 | C40 | N41 | H45 | 180.0° | 180.0° |
| C40 | N41 | C43 | H45 | 180.0° | 180.0° |
| C40 | N41 | C43 | C44 | 150.1° | 180.0° |
| N41 | C40 | C39 | H43 | 102.3° | 60.0° |
| N41 | C40 | C39 | H44 | 16.8° | 60.0° |
| C40 | N41 | C43 | H46 | 89.7° | 60.0° |
| C40 | N41 | C43 | H47 | 29.9° | 60.0° |
| C7 | C10 | C11 | H4 | 180.0° | 180.0° |
| C7 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | C7 | C6 | H2 | 180.0° | 179.9° |
| C7 | C10 | C11 | C9 | 0.3° | 0.0° |
| C10 | C7 | C6 | C1 | 179.7° | 180.0° |
| C10 | C7 | C6 | C | 1.0° | 0.3° |
| C10 | C11 | C12 | C9 | 179.8° | 179.9° |
| C11 | C10 | C7 | C6 | 0.3° | 0.0° |
| C10 | C11 | C9 | C | 0.3° | 0.2° |
| C11 | C10 | C7 | H2 | 179.7° | 179.9° |
| C10 | C11 | C9 | H3 | 179.7° | 179.8° |
| C10 | C11 | C12 | H5 | 126.0° | 150.0° |
| C10 | C11 | C12 | H6 | 112.3° | 30.0° |
| C12 | C11 | C9 | C | 179.9° | 179.8° |
| C12 | C11 | C9 | H3 | 0.1° | 0.2° |
| C12 | C11 | C10 | H4 | 0.2° | 0.0° |
| C11 | C12 | H5 | H6 | 122.5° | 120.0° |
| C11 | C12 | N13 | H9 | 81.8° | 0.0° |
| C7 | C6 | C1 | C | 178.7° | 179.7° |
| C7 | C6 | C1 | S3 | 39.8° | 46.7° |
| C7 | C6 | C | C9 | 1.1° | 0.5° |
| C7 | C6 | C1 | C2 | 141.9° | 133.1° |
| C6 | C7 | C10 | H4 | 179.7° | 180.0° |
| C7 | C6 | C | H8 | 178.9° | 179.8° |
| C11 | C9 | C | C6 | 0.5° | 0.4° |
| C11 | C9 | C | H3 | 180.0° | 179.6° |
| C9 | C11 | C10 | H4 | 179.6° | 180.0° |
| C9 | C11 | C12 | H5 | 53.8° | 30.1° |
| C9 | C11 | C12 | H6 | 67.9° | 150.1° |
| C11 | C9 | C | H8 | 179.5° | 179.8° |
| N41 | C43 | C44 | H46 | 120.2° | 120.0° |
| N41 | C43 | C44 | H47 | 120.2° | 120.0° |
| N41 | C43 | C44 | N45 | 52.4° | 180.0° |
| N41 | C43 | H46 | H47 | 119.4° | 120.0° |
| N41 | C43 | C44 | H48 | 172.7° | 60.0° |
| N41 | C43 | C44 | H49 | 67.8° | 60.1° |
| C6 | C1 | S3 | C2 | 178.6° | 179.8° |
| C6 | C1 | S3 | C4 | 178.8° | 179.8° |
| C1 | C6 | C | C9 | 179.8° | 179.8° |
| C6 | C1 | C2 | N5 | 179.3° | 180.0° |
| C6 | C1 | C2 | C87 | 2.0° | 0.0° |
| C1 | C6 | C7 | H2 | 0.3° | 0.1° |
| C1 | C6 | C | H8 | 0.1° | 0.1° |
| C | C6 | C1 | S3 | 138.9° | 133.0° |
| C6 | C | C9 | H8 | 180.0° | 179.7° |
| C | C6 | C1 | C2 | 39.4° | 47.2° |
| C | C6 | C7 | H2 | 179.0° | 179.8° |
| C6 | C | C9 | H3 | 179.6° | 179.9° |
| C1 | S3 | C4 | N5 | 0.4° | 0.3° |
| S3 | C1 | C2 | N5 | 0.7° | 0.2° |
| S3 | C1 | C2 | C87 | 179.4° | 179.7° |
| C1 | S3 | C4 | H1 | 179.6° | 179.8° |
| C4 | S3 | C1 | C2 | 0.2° | 0.0° |
| S3 | C4 | N5 | H1 | 180.0° | 179.5° |
| S3 | C4 | N5 | C2 | 0.9° | 0.4° |
| C43 | C44 | N45 | H48 | 120.3° | 120.0° |
| C43 | C44 | N45 | H49 | 120.3° | 120.0° |
| C43 | C44 | N45 | C51 | 54.0° | 66.3° |
| C43 | C44 | N45 | C47 | 179.7° | 170.0° |
| C44 | C43 | N41 | H45 | 29.9° | 0.1° |
| C44 | C43 | H46 | H47 | 119.4° | 120.0° |
| C43 | C44 | H48 | H49 | 119.2° | 120.0° |
| C1 | C2 | N5 | C4 | 1.1° | 0.4° |
| C1 | C2 | N5 | C87 | 178.7° | 180.0° |
| C1 | C2 | C87 | H85 | 178.6° | 94.5° |
| C1 | C2 | C87 | H86 | 61.4° | 145.5° |
| C1 | C2 | C87 | H87 | 58.6° | 25.5° |
| C4 | N5 | C2 | C87 | 179.9° | 179.5° |
| C2 | N5 | C4 | H1 | 179.1° | 180.0° |
| N5 | C2 | C87 | H85 | 0.0° | 85.6° |
| N5 | C2 | C87 | H86 | 120.0° | 34.4° |
| N5 | C2 | C87 | H87 | 120.0° | 154.4° |
| C2 | C87 | H85 | H86 | 120.0° | 120.0° |
| C2 | C87 | H85 | H87 | 120.0° | 120.0° |
| C2 | C87 | H86 | H87 | 120.0° | 120.0° |
| C56 | C57 | C58 | H64 | 180.0° | 179.7° |
| C57 | C56 | C55 | H63 | 180.0° | 179.8° |
| C56 | C57 | C58 | C53 | 0.1° | 0.6° |
| C57 | C56 | C55 | C59 | 179.9° | 180.0° |
| C57 | C56 | C55 | C54 | 0.0° | 0.1° |
| C56 | C57 | C58 | H65 | 179.9° | 179.9° |
| C58 | C57 | C56 | C55 | 0.0° | 0.4° |
| C57 | C58 | C53 | H65 | 180.0° | 179.5° |
| C57 | C58 | C53 | C54 | 0.1° | 0.6° |
| C57 | C58 | C53 | C52 | 180.0° | 179.7° |
| C58 | C57 | C56 | H63 | 180.0° | 179.8° |
| C44 | N45 | C51 | C47 | 123.5° | 123.8° |
| C44 | N45 | C51 | C50 | 170.2° | 176.8° |
| C44 | N45 | C47 | C48 | 170.3° | 176.8° |
| N45 | C44 | C43 | H46 | 67.8° | 60.0° |
| N45 | C44 | C43 | H47 | 172.6° | 60.0° |
| N45 | C44 | H48 | H49 | 119.1° | 120.0° |
| C44 | N45 | C47 | H51 | 49.7° | 63.2° |
| C44 | N45 | C47 | H52 | 69.1° | 56.9° |
| C44 | N45 | C51 | H58 | 69.2° | 56.9° |
| C44 | N45 | C51 | H59 | 49.6° | 63.2° |
| N45 | C51 | C50 | H58 | 120.6° | 119.9° |
| N45 | C51 | C50 | H59 | 120.6° | 120.0° |
| N45 | C51 | C50 | N49 | 52.2° | 58.5° |
| C51 | N45 | C47 | C48 | 46.7° | 59.4° |
| C51 | N45 | C44 | H48 | 66.3° | 53.7° |
| C51 | N45 | C44 | H49 | 174.3° | 173.7° |
| C51 | N45 | C47 | H51 | 73.9° | 60.6° |
| C51 | N45 | C47 | H52 | 167.3° | 179.3° |
| N45 | C51 | C50 | H56 | 67.9° | 178.4° |
| N45 | C51 | C50 | H57 | 172.3° | 61.5° |
| N45 | C51 | H58 | H59 | 118.2° | 120.1° |
| C50 | C51 | N45 | C47 | 46.7° | 59.4° |
| C51 | C50 | N49 | H56 | 120.1° | 119.9° |
| C51 | C50 | N49 | H57 | 120.1° | 120.0° |
| C51 | C50 | N49 | C48 | 58.4° | 59.4° |
| C51 | C50 | N49 | C52 | 172.2° | 176.8° |
| C51 | C50 | H56 | H57 | 119.6° | 120.1° |
| C50 | C51 | H58 | H59 | 118.2° | 120.1° |
| N45 | C47 | C48 | H51 | 120.6° | 120.0° |
| N45 | C47 | C48 | H52 | 120.5° | 120.0° |
| N45 | C47 | C48 | N49 | 52.0° | 58.4° |
| C47 | N45 | C44 | H48 | 59.4° | 70.0° |
| C47 | N45 | C44 | H49 | 60.0° | 50.0° |
| N45 | C47 | H51 | H52 | 118.2° | 120.1° |
| N45 | C47 | C48 | H53 | 172.2° | 178.4° |
| N45 | C47 | C48 | H54 | 68.1° | 61.6° |
| C47 | N45 | C51 | H58 | 167.3° | 179.3° |
| C47 | N45 | C51 | H59 | 73.9° | 60.6° |
| C56 | C55 | C59 | C64 | 26.2° | 179.7° |
| C56 | C55 | C59 | C54 | 179.9° | 180.0° |
| C56 | C55 | C54 | C53 | 0.0° | 0.0° |
| C56 | C55 | C59 | C60 | 154.7° | 0.1° |
| C56 | C55 | C54 | H62 | 180.0° | 180.0° |
| C55 | C56 | C57 | H64 | 180.0° | 179.9° |
| C58 | C53 | C54 | C55 | 0.0° | 0.3° |
| C58 | C53 | C54 | C52 | 179.9° | 179.7° |
| C58 | C53 | C52 | N49 | 86.7° | 90.3° |
| C58 | C53 | C52 | H60 | 152.7° | 149.7° |
| C58 | C53 | C52 | H61 | 33.9° | 29.7° |
| C58 | C53 | C54 | H62 | 179.9° | 179.7° |
| C53 | C58 | C57 | H64 | 179.9° | 179.7° |
| C50 | N49 | C48 | C47 | 58.6° | 59.4° |
| C50 | N49 | C52 | C53 | 68.1° | 66.2° |
| C50 | N49 | C48 | C52 | 129.8° | 123.8° |
| C50 | N49 | C48 | H53 | 178.7° | 179.3° |
| C50 | N49 | C48 | H54 | 61.6° | 60.6° |
| N49 | C50 | H56 | H57 | 119.6° | 120.0° |
| N49 | C50 | C51 | H58 | 172.7° | 178.4° |
| N49 | C50 | C51 | H59 | 68.4° | 61.5° |
| C50 | N49 | C52 | H60 | 171.3° | 173.8° |
| C50 | N49 | C52 | H61 | 52.5° | 53.8° |
| C63 | C64 | C59 | H68 | 180.0° | 179.3° |
| C63 | C64 | C59 | C55 | 179.5° | 179.7° |
| C64 | C63 | C62 | H67 | 180.0° | 179.6° |
| C63 | C64 | C59 | C60 | 0.5° | 0.6° |
| C64 | C63 | C62 | N65 | 178.3° | 179.7° |
| C64 | C63 | C62 | C61 | 2.8° | 0.4° |
| C64 | C59 | C55 | C60 | 179.0° | 179.7° |
| C64 | C59 | C55 | C54 | 153.7° | 0.3° |
| C59 | C64 | C63 | C62 | 0.8° | 0.7° |
| C64 | C59 | C60 | C61 | 0.2° | 0.3° |
| C64 | C59 | C60 | H66 | 179.8° | 179.7° |
| C59 | C64 | C63 | H67 | 179.2° | 179.7° |
| C47 | C48 | N49 | H53 | 120.1° | 119.9° |
| C47 | C48 | N49 | H54 | 120.2° | 120.0° |
| C47 | C48 | N49 | C52 | 171.6° | 176.8° |
| C48 | C47 | H51 | H52 | 118.3° | 120.0° |
| C47 | C48 | H53 | H54 | 119.6° | 120.0° |
| C59 | C55 | C54 | C53 | 179.9° | 180.0° |
| C55 | C59 | C60 | C61 | 178.8° | 180.0° |
| C59 | C55 | C54 | H62 | 0.1° | 0.0° |
| C59 | C55 | C56 | H63 | 0.1° | 0.1° |
| C55 | C59 | C60 | H66 | 1.1° | 0.1° |
| C55 | C59 | C64 | H68 | 0.5° | 0.4° |
| C55 | C54 | C53 | H62 | 180.0° | 180.0° |
| C55 | C54 | C53 | C52 | 179.9° | 180.0° |
| C54 | C55 | C59 | C60 | 25.4° | 180.0° |
| C54 | C55 | C56 | H63 | 180.0° | 179.9° |
| C54 | C53 | C52 | N49 | 93.4° | 90.0° |
| C54 | C53 | C52 | H60 | 27.2° | 30.0° |
| C54 | C53 | C52 | H61 | 146.0° | 150.0° |
| C54 | C53 | C58 | H65 | 179.9° | 180.0° |
| C53 | C52 | N49 | C48 | 60.6° | 170.0° |
| C53 | C52 | N49 | H60 | 120.6° | 120.0° |
| C53 | C52 | N49 | H61 | 120.6° | 120.0° |
| C53 | C52 | H60 | H61 | 118.2° | 120.0° |
| C52 | C53 | C54 | H62 | 0.0° | 0.0° |
| C52 | C53 | C58 | H65 | 0.0° | 0.2° |
| N49 | C48 | C47 | H51 | 68.5° | 61.5° |
| N49 | C48 | C47 | H52 | 172.6° | 178.4° |
| N49 | C48 | H53 | H54 | 119.5° | 120.2° |
| C48 | N49 | C50 | H56 | 61.7° | 179.3° |
| C48 | N49 | C50 | H57 | 178.5° | 60.6° |
| C48 | N49 | C52 | H60 | 60.0° | 50.1° |
| C48 | N49 | C52 | H61 | 178.8° | 69.9° |
| C52 | N49 | C48 | H53 | 51.5° | 56.9° |
| C52 | N49 | C48 | H54 | 68.2° | 63.2° |
| C52 | N49 | C50 | H56 | 67.7° | 56.9° |
| C52 | N49 | C50 | H57 | 52.1° | 63.2° |
| N49 | C52 | H60 | H61 | 118.2° | 120.0° |
| C63 | C62 | N65 | C66 | 16.4° | 63.7° |
| C63 | C62 | N65 | C61 | 175.6° | 179.9° |
| C63 | C62 | C61 | C60 | 3.5° | 0.1° |
| C63 | C62 | N65 | C70 | 112.5° | 60.1° |
| C63 | C62 | C61 | N72 | 179.8° | 179.9° |
| C62 | C63 | C64 | H68 | 179.2° | 180.0° |
| C59 | C60 | C61 | C62 | 2.2° | 0.1° |
| C59 | C60 | C61 | H66 | 180.0° | 179.9° |
| C59 | C60 | C61 | N72 | 178.8° | 180.0° |
| C60 | C59 | C64 | H68 | 179.5° | 180.0° |
| N65 | C66 | C67 | H69 | 120.5° | 120.0° |
| N65 | C66 | C67 | H70 | 120.5° | 119.9° |
| C66 | N65 | C62 | C70 | 128.9° | 123.8° |
| C66 | N65 | C62 | C61 | 168.0° | 116.2° |
| N65 | C66 | C67 | N68 | 54.7° | 58.4° |
| C66 | N65 | C70 | C69 | 51.2° | 59.3° |
| N65 | C66 | H69 | H70 | 118.4° | 120.0° |
| N65 | C66 | C67 | H71 | 175.1° | 178.4° |
| N65 | C66 | C67 | H72 | 65.6° | 61.6° |
| C66 | N65 | C70 | H76 | 171.7° | 179.2° |
| C66 | N65 | C70 | H77 | 69.4° | 60.6° |
| C67 | C66 | N65 | C62 | 176.3° | 176.9° |
| C67 | C66 | N65 | C70 | 51.1° | 59.3° |
| C66 | C67 | N68 | H71 | 120.4° | 120.0° |
| C66 | C67 | N68 | H72 | 120.3° | 119.9° |
| C66 | C67 | N68 | C69 | 57.3° | 59.3° |
| C66 | C67 | N68 | C71 | 176.9° | 176.8° |
| C67 | C66 | H69 | H70 | 118.4° | 120.1° |
| C66 | C67 | H71 | H72 | 119.0° | 120.0° |
| N65 | C62 | C61 | C60 | 179.2° | 180.0° |
| N65 | C62 | C61 | N72 | 4.5° | 0.1° |
| C62 | N65 | C70 | C69 | 175.3° | 176.8° |
| N65 | C62 | C63 | H67 | 1.7° | 0.1° |
| C62 | N65 | C66 | H69 | 63.2° | 63.1° |
| C62 | N65 | C66 | H70 | 55.8° | 56.9° |
| C62 | N65 | C70 | H76 | 54.8° | 56.9° |
| C62 | N65 | C70 | H77 | 64.1° | 63.2° |
| C62 | C61 | C60 | N72 | 176.6° | 180.0° |
| C61 | C62 | N65 | C70 | 63.1° | 120.0° |
| C62 | C61 | N72 | C73 | 115.5° | 151.6° |
| C62 | C61 | C60 | H66 | 177.8° | 180.0° |
| C61 | C62 | C63 | H67 | 177.2° | 180.0° |
| C62 | C61 | N72 | H81 | 64.5° | 28.4° |
| C60 | C61 | N72 | C73 | 68.1° | 28.4° |
| C60 | C61 | N72 | H81 | 111.9° | 151.6° |
| N65 | C70 | C69 | H76 | 120.5° | 120.0° |
| N65 | C70 | C69 | H77 | 120.5° | 120.0° |
| N65 | C70 | C69 | N68 | 55.8° | 58.4° |
| C70 | N65 | C66 | H69 | 69.4° | 60.7° |
| C70 | N65 | C66 | H70 | 171.6° | 179.3° |
| N65 | C70 | C69 | H74 | 64.4° | 178.3° |
| N65 | C70 | C69 | H75 | 176.1° | 61.6° |
| N65 | C70 | H76 | H77 | 118.4° | 120.1° |
| C61 | N72 | C73 | O85 | 1.2° | 5.7° |
| C61 | N72 | C73 | H81 | 180.0° | 180.0° |
| C61 | N72 | C73 | C74 | 175.7° | 174.3° |
| N72 | C61 | C60 | H66 | 1.2° | 0.1° |
| C67 | N68 | C69 | C70 | 57.2° | 59.3° |
| C67 | N68 | C69 | C71 | 120.4° | 123.9° |
| N68 | C67 | C66 | H69 | 65.8° | 61.6° |
| N68 | C67 | C66 | H70 | 175.2° | 178.3° |
| N68 | C67 | H71 | H72 | 119.0° | 120.1° |
| C67 | N68 | C69 | H74 | 63.1° | 179.3° |
| C67 | N68 | C69 | H75 | 177.5° | 60.7° |
| C67 | N68 | C71 | H78 | 180.0° | 60.0° |
| C67 | N68 | C71 | H79 | 60.0° | 180.0° |
| C67 | N68 | C71 | H80 | 60.0° | 60.0° |
| C70 | C69 | N68 | H74 | 120.3° | 120.0° |
| C70 | C69 | N68 | H75 | 120.3° | 120.0° |
| C70 | C69 | N68 | C71 | 177.6° | 176.8° |
| C70 | C69 | H74 | H75 | 119.1° | 120.1° |
| C69 | C70 | H76 | H77 | 118.3° | 120.0° |
| C69 | N68 | C67 | H71 | 177.6° | 179.3° |
| C69 | N68 | C67 | H72 | 63.1° | 60.7° |
| N68 | C69 | H74 | H75 | 119.1° | 120.0° |
| N68 | C69 | C70 | H76 | 176.4° | 178.3° |
| N68 | C69 | C70 | H77 | 64.7° | 61.6° |
| C69 | N68 | C71 | H78 | 57.6° | 63.8° |
| C69 | N68 | C71 | H79 | 177.6° | 56.2° |
| C69 | N68 | C71 | H80 | 62.5° | 176.2° |
| C71 | N68 | C67 | H71 | 62.8° | 56.8° |
| C71 | N68 | C67 | H72 | 56.6° | 63.2° |
| C71 | N68 | C69 | H74 | 57.3° | 56.8° |
| C71 | N68 | C69 | H75 | 62.1° | 63.2° |
| N68 | C71 | H78 | H79 | 120.0° | 120.0° |
| N68 | C71 | H78 | H80 | 120.0° | 120.0° |
| N68 | C71 | H79 | H80 | 120.0° | 119.9° |
| O85 | C73 | N72 | C74 | 174.5° | 180.0° |
| O85 | C73 | C74 | C75 | 130.9° | 76.0° |
| O85 | C73 | C74 | C79 | 48.1° | 103.7° |
| O85 | C73 | N72 | H81 | 178.8° | 174.3° |
| N72 | C73 | C74 | C75 | 43.6° | 104.0° |
| N72 | C73 | C74 | C79 | 137.4° | 76.3° |
| C73 | C74 | C75 | C79 | 179.1° | 179.7° |
| C73 | C74 | C79 | C80 | 1.1° | 0.1° |
| C73 | C74 | C75 | N76 | 179.2° | 180.0° |
| C73 | C74 | C79 | C78 | 179.7° | 179.9° |
| C74 | C73 | N72 | H81 | 4.3° | 5.7° |
| C73 | C74 | C75 | H82 | 0.8° | 0.1° |
| F84 | C80 | F83 | C79 | 119.9° | 120.0° |
| F84 | C80 | F83 | F82 | 120.0° | 120.0° |
| F84 | C80 | C79 | C74 | 51.8° | 33.2° |
| F84 | C80 | C79 | F82 | 120.1° | 120.0° |
| F84 | C80 | C79 | C78 | 127.4° | 147.0° |
| F83 | C80 | C79 | C74 | 68.1° | 153.1° |
| F83 | C80 | C79 | F82 | 120.0° | 120.1° |
| F83 | C80 | C79 | C78 | 112.7° | 27.1° |
| C75 | C74 | C79 | C80 | 179.9° | 179.7° |
| C74 | C75 | N76 | H82 | 180.0° | 180.0° |
| C75 | C74 | C79 | C78 | 0.7° | 0.5° |
| C74 | C75 | N76 | C77 | 0.1° | 0.0° |
| C74 | C79 | C80 | C78 | 179.2° | 179.8° |
| C74 | C79 | C80 | F82 | 171.9° | 86.8° |
| C79 | C74 | C75 | N76 | 0.2° | 0.3° |
| C74 | C79 | C78 | C77 | 1.0° | 0.4° |
| C79 | C74 | C75 | H82 | 179.8° | 179.7° |
| C74 | C79 | C78 | H83 | 122.5° | 121.7° |
| C74 | C79 | C78 | H84 | 120.4° | 122.2° |
| C80 | C79 | C78 | C77 | 179.7° | 179.8° |
| C80 | C79 | C78 | H83 | 58.3° | 58.1° |
| C80 | C79 | C78 | H84 | 58.8° | 58.0° |
| F82 | C80 | C79 | C78 | 7.3° | 93.0° |
| C75 | N76 | C77 | C78 | 0.2° | 0.0° |
| C75 | N76 | C77 | O86 | 179.8° | 180.0° |
| C79 | C78 | C77 | N76 | 0.8° | 0.2° |
| C79 | C78 | C77 | H83 | 121.4° | 122.1° |
| C79 | C78 | C77 | H84 | 121.4° | 121.7° |
| C79 | C78 | C77 | O86 | 179.6° | 179.8° |
| C79 | C78 | H83 | H84 | 115.4° | 116.1° |
| N76 | C77 | C78 | O86 | 179.6° | 180.0° |
| C77 | N76 | C75 | H82 | 179.9° | 180.0° |
| N76 | C77 | C78 | H83 | 122.3° | 122.0° |
| N76 | C77 | C78 | H84 | 120.6° | 121.9° |
| C77 | C78 | H83 | H84 | 115.4° | 116.3° |
| O86 | C77 | C78 | H83 | 58.1° | 58.0° |
| O86 | C77 | C78 | H84 | 59.0° | 58.1° |
| H2 | C7 | C10 | H4 | 0.3° | 0.1° |
| H3 | C9 | C | H8 | 0.5° | 0.2° |
| H5 | C12 | N13 | H9 | 159.1° | 120.0° |
| H6 | C12 | N13 | H9 | 37.3° | 120.0° |
| H7 | C16 | C20 | H13 | 28.9° | 144.3° |
| H7 | C16 | C20 | H14 | 150.3° | 21.0° |
| H10 | C18 | C19 | H12 | 28.3° | 86.1° |
| H11 | C18 | C19 | H12 | 93.7° | 36.2° |
| H12 | C19 | C20 | H13 | 86.0° | 35.3° |
| H12 | C19 | C20 | H14 | 35.4° | 88.0° |
| H12 | C19 | O22 | H15 | 56.9° | 62.5° |
| H16 | C24 | N26 | H17 | 164.0° | 145.0° |
| H18 | C27 | H19 | H20 | 120.0° | 120.0° |
| H21 | C28 | H22 | H23 | 120.0° | 120.0° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H27 | C31 | C32 | H29 | 35.9° | 179.9° |
| H27 | C31 | C32 | H30 | 155.0° | 60.0° |
| H28 | C31 | C32 | H29 | 83.2° | 60.1° |
| H28 | C31 | C32 | H30 | 35.9° | 180.0° |
| H29 | C32 | C33 | H31 | 136.0° | 179.9° |
| H29 | C32 | C33 | H32 | 104.8° | 60.0° |
| H30 | C32 | C33 | H31 | 16.9° | 60.0° |
| H30 | C32 | C33 | H32 | 136.0° | 180.0° |
| H31 | C33 | C34 | H33 | 1.2° | 180.0° |
| H31 | C33 | C34 | H34 | 120.4° | 60.0° |
| H32 | C33 | C34 | H33 | 120.3° | 59.9° |
| H32 | C33 | C34 | H34 | 120.5° | 180.0° |
| H33 | C34 | C35 | H35 | 128.2° | 180.0° |
| H33 | C34 | C35 | H36 | 112.8° | 60.0° |
| H34 | C34 | C35 | H35 | 112.7° | 60.0° |
| H34 | C34 | C35 | H36 | 6.4° | 180.0° |
| H35 | C35 | C36 | H37 | 154.3° | 180.0° |
| H35 | C35 | C36 | H38 | 35.2° | 60.1° |
| H36 | C35 | C36 | H37 | 86.6° | 60.0° |
| H36 | C35 | C36 | H38 | 154.3° | 180.0° |
| H37 | C36 | C37 | H39 | 143.8° | 180.0° |
| H37 | C36 | C37 | H40 | 24.7° | 60.0° |
| H38 | C36 | C37 | H39 | 97.1° | 60.0° |
| H38 | C36 | C37 | H40 | 143.8° | 180.0° |
| H39 | C37 | C38 | H41 | 83.4° | 179.9° |
| H39 | C37 | C38 | H42 | 35.7° | 60.0° |
| H40 | C37 | C38 | H41 | 157.5° | 60.0° |
| H40 | C37 | C38 | H42 | 83.4° | 180.0° |
| H41 | C38 | C39 | H43 | 139.0° | 180.0° |
| H41 | C38 | C39 | H44 | 101.9° | 60.0° |
| H42 | C38 | C39 | H43 | 19.9° | 60.0° |
| H42 | C38 | C39 | H44 | 139.0° | 179.9° |
| H45 | N41 | C43 | H46 | 90.3° | 119.9° |
| H45 | N41 | C43 | H47 | 150.1° | 120.0° |
| H46 | C43 | C44 | H48 | 52.5° | 180.0° |
| H46 | C43 | C44 | H49 | 172.0° | 60.0° |
| H47 | C43 | C44 | H48 | 67.1° | 60.0° |
| H47 | C43 | C44 | H49 | 52.4° | 180.0° |
| H51 | C47 | C48 | H53 | 51.6° | 58.4° |
| H51 | C47 | C48 | H54 | 171.3° | 178.4° |
| H52 | C47 | C48 | H53 | 67.3° | 61.7° |
| H52 | C47 | C48 | H54 | 52.4° | 58.4° |
| H56 | C50 | C51 | H58 | 52.6° | 61.7° |
| H56 | C50 | C51 | H59 | 171.4° | 58.4° |
| H57 | C50 | C51 | H58 | 67.1° | 58.4° |
| H57 | C50 | C51 | H59 | 51.7° | 178.5° |
| H63 | C56 | C57 | H64 | 0.0° | 0.1° |
| H64 | C57 | C58 | H65 | 0.1° | 0.2° |
| H67 | C63 | C64 | H68 | 0.8° | 0.4° |
| H69 | C66 | C67 | H71 | 54.5° | 58.4° |
| H69 | C66 | C67 | H72 | 173.8° | 178.4° |
| H70 | C66 | C67 | H71 | 64.5° | 61.7° |
| H70 | C66 | C67 | H72 | 54.9° | 58.4° |
| H74 | C69 | C70 | H76 | 56.1° | 61.7° |
| H74 | C69 | C70 | H77 | 175.0° | 58.4° |
| H75 | C69 | C70 | H76 | 63.3° | 58.4° |
| H75 | C69 | C70 | H77 | 55.6° | 178.5° |
| H78 | C71 | H79 | H80 | 120.0° | 120.1° |
| H85 | C87 | H86 | H87 | 120.0° | 120.0° |
