TKY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | C51 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.50Å | |
| C36 | O35 | sing | 1.43Å | 1.42Å | |
| C37 | O38 | sing | 1.43Å | 1.43Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.50Å | |
| C43 | O44 | sing | 1.43Å | 1.43Å | |
| C51 | N50 | sing | 1.47Å | 1.47Å | |
| C42 | O41 | sing | 1.43Å | 1.42Å | |
| O35 | C34 | sing | 1.43Å | 1.42Å | |
| O38 | C39 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.49Å | |
| O49 | C48 | doub | 1.22Å | 1.21Å | |
| C54 | N56 | sing | 1.46Å | 1.48Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| O41 | C40 | sing | 1.43Å | 1.42Å | |
| O32 | C13 | sing | 1.36Å | 1.37Å | |
| O32 | C33 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| O44 | C45 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N56 | N60 | sing | 1.40Å | 1.38Å | Aromatic |
| N56 | C57 | sing | 1.35Å | 1.35Å | Aromatic |
| N50 | C48 | sing | 1.35Å | 1.35Å | |
| N50 | C55 | sing | 1.47Å | 1.47Å | |
| C66 | C65 | doub | 1.38Å | 1.38Å | Aromatic |
| C66 | C61 | sing | 1.39Å | 1.39Å | Aromatic |
| N79 | C57 | sing | 1.38Å | 1.34Å | |
| C48 | O47 | sing | 1.35Å | 1.34Å | |
| N60 | C59 | doub | 1.31Å | 1.33Å | Aromatic |
| C57 | C58 | doub | 1.39Å | 1.41Å | Aromatic |
| C65 | C64 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.53Å | 1.50Å | |
| O77 | C76 | doub | 1.22Å | 1.24Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C59 | C58 | sing | 1.47Å | 1.44Å | Aromatic |
| C59 | C61 | sing | 1.48Å | 1.48Å | |
| C58 | C76 | sing | 1.47Å | 1.47Å | |
| F74 | C73 | sing | 1.35Å | 1.35Å | |
| C61 | C62 | doub | 1.39Å | 1.40Å | Aromatic |
| C76 | N78 | sing | 1.35Å | 1.33Å | |
| C45 | C46 | sing | 1.53Å | 1.49Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| C64 | O67 | sing | 1.36Å | 1.40Å | |
| C64 | C63 | doub | 1.39Å | 1.39Å | Aromatic |
| O47 | C46 | sing | 1.45Å | 1.45Å | |
| C18 | N9 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| O67 | C68 | sing | 1.36Å | 1.39Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C62 | C63 | sing | 1.38Å | 1.39Å | Aromatic |
| N9 | C7 | sing | 1.35Å | 1.35Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C73 | C68 | doub | 1.39Å | 1.38Å | Aromatic |
| C73 | C72 | sing | 1.38Å | 1.37Å | Aromatic |
| N21 | C19 | sing | 1.35Å | 1.34Å | |
| N21 | C22 | sing | 1.46Å | 1.46Å | |
| O4 | C3 | doub | 1.21Å | 1.23Å | |
| C19 | O20 | doub | 1.21Å | 1.23Å | |
| C68 | C69 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C26 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C7 | O8 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C72 | C71 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | N5 | sing | 1.35Å | 1.34Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | N5 | sing | 1.47Å | 1.45Å | |
| C6 | C80 | sing | 1.53Å | 1.56Å | |
| N84 | C2 | sing | 1.47Å | 1.47Å | |
| N84 | C85 | sing | 1.47Å | 1.46Å | |
| C69 | C70 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C71 | C70 | sing | 1.39Å | 1.37Å | Aromatic |
| C71 | F75 | sing | 1.35Å | 1.36Å | |
| C82 | C80 | sing | 1.53Å | 1.53Å | |
| C80 | C83 | sing | 1.53Å | 1.53Å | |
| C80 | C81 | sing | 1.53Å | 1.53Å | |
| C43 | H1 | sing | 1.09Å | 1.10Å | |
| C43 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| C40 | H4 | sing | 1.09Å | 1.10Å | |
| C36 | H5 | sing | 1.09Å | 1.10Å | |
| C36 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C34 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| C51 | H46 | sing | 1.09Å | 1.10Å | |
| C51 | H47 | sing | 1.09Å | 1.10Å | |
| C52 | H48 | sing | 1.09Å | 1.10Å | |
| C52 | H49 | sing | 1.09Å | 1.10Å | |
| C53 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C54 | H52 | sing | 1.09Å | 1.10Å | |
| C55 | H53 | sing | 1.09Å | 1.10Å | |
| C55 | H54 | sing | 1.09Å | 1.10Å | |
| C62 | H55 | sing | 1.08Å | 1.08Å | |
| C63 | H56 | sing | 1.08Å | 1.08Å | |
| C65 | H57 | sing | 1.08Å | 1.08Å | |
| C66 | H58 | sing | 1.08Å | 1.08Å | |
| C69 | H59 | sing | 1.08Å | 1.08Å | |
| C70 | H60 | sing | 1.08Å | 1.08Å | |
| C72 | H61 | sing | 1.08Å | 1.08Å | |
| C81 | H62 | sing | 1.09Å | 1.10Å | |
| C81 | H63 | sing | 1.09Å | 1.10Å | |
| C81 | H64 | sing | 1.09Å | 1.10Å | |
| C82 | H65 | sing | 1.09Å | 1.10Å | |
| C82 | H66 | sing | 1.09Å | 1.10Å | |
| C82 | H67 | sing | 1.09Å | 1.10Å | |
| C83 | H68 | sing | 1.09Å | 1.10Å | |
| C83 | H69 | sing | 1.09Å | 1.10Å | |
| C83 | H70 | sing | 1.09Å | 1.10Å | |
| C85 | H71 | sing | 1.09Å | 1.10Å | |
| C85 | H72 | sing | 1.09Å | 1.10Å | |
| C85 | H73 | sing | 1.09Å | 1.10Å | |
| N21 | H74 | sing | 0.97Å | 1.00Å | |
| N78 | H75 | sing | 0.97Å | 1.00Å | |
| N78 | H76 | sing | 0.97Å | 1.00Å | |
| N79 | H77 | sing | 0.97Å | 1.00Å | |
| N79 | H78 | sing | 0.97Å | 1.00Å | |
| N84 | H79 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C53 | C52 | C51 | 110.7° | 109.3° |
| C52 | C53 | C54 | 111.4° | 109.5° |
| C53 | C52 | H48 | 109.1° | 109.5° |
| C53 | C52 | H49 | 109.2° | 109.5° |
| C52 | C53 | H50 | 109.0° | 109.4° |
| C52 | C53 | H51 | 109.0° | 109.4° |
| C52 | C51 | N50 | 110.2° | 108.8° |
| C52 | C51 | H46 | 109.3° | 109.6° |
| C52 | C51 | H47 | 109.3° | 109.7° |
| C51 | C52 | H48 | 109.2° | 109.5° |
| C51 | C52 | H49 | 109.2° | 109.5° |
| C37 | C36 | O35 | 109.8° | 109.5° |
| C36 | C37 | O38 | 111.4° | 109.5° |
| C37 | C36 | H5 | 109.4° | 109.4° |
| C37 | C36 | H6 | 109.4° | 109.5° |
| C36 | C37 | H9 | 109.0° | 109.5° |
| C36 | C37 | H10 | 109.0° | 109.5° |
| C36 | O35 | C34 | 114.2° | 114.0° |
| O35 | C36 | H5 | 109.4° | 109.5° |
| O35 | C36 | H6 | 109.4° | 109.5° |
| C37 | O38 | C39 | 114.2° | 114.0° |
| O38 | C37 | H9 | 109.0° | 109.4° |
| O38 | C37 | H10 | 109.0° | 109.4° |
| C53 | C54 | N56 | 110.5° | 109.5° |
| C53 | C54 | C55 | 111.5° | 109.3° |
| C54 | C53 | H50 | 109.0° | 109.5° |
| C54 | C53 | H51 | 109.0° | 109.5° |
| C53 | C54 | H52 | 107.9° | 109.4° |
| C42 | C43 | O44 | 111.6° | 109.5° |
| C43 | C42 | O41 | 110.6° | 109.5° |
| C42 | C43 | H1 | 108.9° | 109.5° |
| C42 | C43 | H2 | 108.9° | 109.5° |
| C43 | C42 | H40 | 109.2° | 109.5° |
| C43 | C42 | H41 | 109.2° | 109.5° |
| C43 | O44 | C45 | 114.3° | 114.0° |
| O44 | C43 | H1 | 108.9° | 109.5° |
| O44 | C43 | H2 | 108.9° | 109.5° |
| C51 | N50 | C48 | 120.9° | 120.6° |
| C51 | N50 | C55 | 112.2° | 118.8° |
| N50 | C51 | H46 | 109.3° | 109.5° |
| N50 | C51 | H47 | 109.3° | 109.6° |
| C42 | O41 | C40 | 112.6° | 114.0° |
| O41 | C42 | H40 | 109.2° | 109.5° |
| O41 | C42 | H41 | 109.2° | 109.5° |
| O35 | C34 | C33 | 109.8° | 109.5° |
| O35 | C34 | H11 | 109.4° | 109.4° |
| O35 | C34 | H12 | 109.4° | 109.5° |
| O38 | C39 | C40 | 111.2° | 109.5° |
| O38 | C39 | H38 | 109.0° | 109.4° |
| O38 | C39 | H39 | 109.0° | 109.5° |
| C14 | C15 | C16 | 121.1° | 120.7° |
| C15 | C14 | C13 | 119.6° | 119.8° |
| C15 | C14 | H22 | 120.2° | 120.1° |
| C14 | C15 | H23 | 119.5° | 119.7° |
| C15 | C16 | C17 | 123.4° | 117.6° |
| C15 | C16 | C11 | 119.1° | 119.6° |
| C16 | C15 | H23 | 119.4° | 119.7° |
| C14 | C13 | O32 | 115.7° | 120.2° |
| C14 | C13 | C12 | 120.1° | 119.5° |
| C13 | C14 | H22 | 120.2° | 120.1° |
| C34 | C33 | O32 | 107.4° | 109.5° |
| C34 | C33 | H7 | 110.0° | 109.5° |
| C34 | C33 | H8 | 110.0° | 109.4° |
| C33 | C34 | H11 | 109.4° | 109.5° |
| C33 | C34 | H12 | 109.4° | 109.5° |
| O49 | C48 | N50 | 123.9° | 120.0° |
| O49 | C48 | O47 | 124.4° | 120.0° |
| N56 | C54 | C55 | 110.2° | 109.5° |
| C54 | N56 | N60 | 120.5° | 125.1° |
| C54 | N56 | C57 | 127.6° | 125.2° |
| N56 | C54 | H52 | 108.6° | 109.5° |
| C54 | C55 | N50 | 109.4° | 108.8° |
| C55 | C54 | H52 | 108.1° | 109.5° |
| C54 | C55 | H53 | 109.5° | 109.6° |
| C54 | C55 | H54 | 109.5° | 109.6° |
| O41 | C40 | C39 | 109.9° | 109.5° |
| O41 | C40 | H3 | 109.3° | 109.5° |
| O41 | C40 | H4 | 109.3° | 109.5° |
| C13 | O32 | C33 | 118.7° | 117.0° |
| O32 | C13 | C12 | 124.1° | 120.3° |
| O32 | C33 | H7 | 110.0° | 109.5° |
| O32 | C33 | H8 | 110.0° | 109.5° |
| C17 | C16 | C11 | 117.4° | 122.9° |
| C16 | C17 | C18 | 111.1° | 110.9° |
| C16 | C17 | H24 | 109.1° | 109.1° |
| C16 | C17 | H25 | 109.1° | 109.3° |
| C16 | C11 | C12 | 119.5° | 119.9° |
| C16 | C11 | C10 | 118.9° | 122.3° |
| O44 | C45 | C46 | 110.2° | 109.5° |
| O44 | C45 | H42 | 109.3° | 109.5° |
| O44 | C45 | H43 | 109.3° | 109.5° |
| C17 | C18 | N9 | 111.3° | 108.0° |
| C17 | C18 | C19 | 110.8° | 109.8° |
| C17 | C18 | H15 | 106.4° | 109.8° |
| C18 | C17 | H24 | 109.1° | 109.2° |
| C18 | C17 | H25 | 109.1° | 109.2° |
| C13 | C12 | C11 | 120.6° | 120.5° |
| C13 | C12 | H21 | 119.7° | 119.7° |
| N60 | N56 | C57 | 111.8° | 109.7° |
| N56 | N60 | C59 | 106.1° | 109.4° |
| N56 | C57 | N79 | 124.0° | 126.2° |
| N56 | C57 | C58 | 107.0° | 107.6° |
| C48 | N50 | C55 | 122.7° | 120.6° |
| N50 | C48 | O47 | 111.7° | 120.0° |
| N50 | C55 | H53 | 109.5° | 109.6° |
| N50 | C55 | H54 | 109.5° | 109.7° |
| C65 | C66 | C61 | 120.9° | 119.9° |
| C66 | C65 | C64 | 119.9° | 120.1° |
| C66 | C65 | H57 | 120.0° | 119.9° |
| C65 | C66 | H58 | 119.5° | 120.1° |
| C66 | C61 | C59 | 119.6° | 120.1° |
| C66 | C61 | C62 | 118.6° | 119.9° |
| C61 | C66 | H58 | 119.6° | 120.0° |
| N79 | C57 | C58 | 129.0° | 126.2° |
| C57 | N79 | H77 | 109.5° | 120.0° |
| C57 | N79 | H78 | 109.5° | 120.0° |
| C48 | O47 | C46 | 116.4° | 117.0° |
| N60 | C59 | C58 | 110.4° | 107.1° |
| N60 | C59 | C61 | 119.2° | 126.5° |
| C57 | C58 | C59 | 104.6° | 106.2° |
| C57 | C58 | C76 | 125.9° | 126.9° |
| C65 | C64 | O67 | 114.4° | 120.0° |
| C65 | C64 | C63 | 120.1° | 120.1° |
| C64 | C65 | H57 | 120.0° | 120.0° |
| C39 | C40 | H3 | 109.4° | 109.5° |
| C39 | C40 | H4 | 109.3° | 109.4° |
| C40 | C39 | H38 | 109.1° | 109.5° |
| C40 | C39 | H39 | 109.0° | 109.4° |
| O77 | C76 | C58 | 120.2° | 120.0° |
| O77 | C76 | N78 | 121.5° | 120.0° |
| C12 | C11 | C10 | 121.6° | 117.8° |
| C11 | C12 | H21 | 119.7° | 119.8° |
| C11 | C10 | N9 | 112.0° | 109.7° |
| C11 | C10 | H19 | 108.8° | 109.4° |
| C11 | C10 | H20 | 108.9° | 109.4° |
| C58 | C59 | C61 | 130.2° | 126.4° |
| C59 | C58 | C76 | 129.5° | 126.9° |
| C59 | C61 | C62 | 121.7° | 120.0° |
| C58 | C76 | N78 | 118.3° | 120.0° |
| F74 | C73 | C68 | 118.1° | 120.0° |
| F74 | C73 | C72 | 118.9° | 120.1° |
| C61 | C62 | C63 | 120.7° | 119.9° |
| C61 | C62 | H55 | 119.6° | 120.0° |
| C76 | N78 | H75 | 120.0° | 120.0° |
| C76 | N78 | H76 | 120.0° | 120.0° |
| C45 | C46 | O47 | 108.8° | 109.4° |
| C46 | C45 | H42 | 109.3° | 109.5° |
| C46 | C45 | H43 | 109.3° | 109.5° |
| C45 | C46 | H44 | 109.6° | 109.5° |
| C45 | C46 | H45 | 109.7° | 109.5° |
| C10 | N9 | C18 | 121.1° | 117.3° |
| C10 | N9 | C7 | 120.7° | 121.4° |
| N9 | C10 | H19 | 108.8° | 109.4° |
| N9 | C10 | H20 | 108.9° | 109.5° |
| O67 | C64 | C63 | 125.4° | 119.9° |
| C64 | O67 | C68 | 124.0° | 118.1° |
| C64 | C63 | C62 | 119.7° | 120.1° |
| C64 | C63 | H56 | 120.1° | 120.0° |
| O47 | C46 | H44 | 109.7° | 109.5° |
| O47 | C46 | H45 | 109.6° | 109.5° |
| N9 | C18 | C19 | 114.1° | 109.8° |
| C18 | N9 | C7 | 118.2° | 121.3° |
| N9 | C18 | H15 | 107.2° | 109.8° |
| C18 | C19 | N21 | 116.0° | 120.0° |
| C18 | C19 | O20 | 120.6° | 120.0° |
| C19 | C18 | H15 | 106.5° | 109.7° |
| O67 | C68 | C73 | 119.9° | 120.1° |
| O67 | C68 | C69 | 121.6° | 120.0° |
| C25 | C24 | C23 | 110.9° | 108.4° |
| C24 | C25 | C26 | 112.9° | 110.6° |
| C25 | C24 | H30 | 109.1° | 109.6° |
| C25 | C24 | H31 | 109.1° | 109.7° |
| C24 | C25 | H32 | 108.6° | 109.2° |
| C24 | C25 | H33 | 108.6° | 109.3° |
| C24 | C23 | C22 | 111.4° | 108.4° |
| C24 | C23 | H28 | 109.0° | 109.7° |
| C24 | C23 | H29 | 109.0° | 109.7° |
| C23 | C24 | H30 | 109.1° | 109.7° |
| C23 | C24 | H31 | 109.1° | 109.7° |
| C63 | C62 | H55 | 119.7° | 120.1° |
| C62 | C63 | H56 | 120.2° | 120.0° |
| N9 | C7 | O8 | 121.5° | 120.0° |
| N9 | C7 | C6 | 119.2° | 120.0° |
| C25 | C26 | C31 | 119.6° | 117.8° |
| C25 | C26 | C27 | 120.9° | 122.6° |
| C26 | C25 | H32 | 108.6° | 109.2° |
| C26 | C25 | H33 | 108.6° | 109.3° |
| C68 | C73 | C72 | 122.9° | 120.0° |
| C73 | C68 | C69 | 118.4° | 119.9° |
| C73 | C72 | C71 | 116.5° | 120.0° |
| C73 | C72 | H61 | 121.7° | 120.0° |
| C19 | N21 | C22 | 123.4° | 120.0° |
| N21 | C19 | O20 | 123.4° | 120.0° |
| C19 | N21 | H74 | 118.3° | 120.0° |
| N21 | C22 | C23 | 109.9° | 109.2° |
| N21 | C22 | C27 | 112.4° | 109.3° |
| N21 | C22 | H27 | 106.7° | 109.3° |
| C22 | N21 | H74 | 118.3° | 120.0° |
| O4 | C3 | C2 | 120.9° | 120.0° |
| O4 | C3 | N5 | 123.2° | 120.0° |
| C68 | C69 | C70 | 120.2° | 120.0° |
| C68 | C69 | H59 | 119.9° | 120.0° |
| C23 | C22 | C27 | 115.2° | 110.6° |
| C23 | C22 | H27 | 106.0° | 109.2° |
| C22 | C23 | H28 | 109.0° | 109.7° |
| C22 | C23 | H29 | 109.0° | 109.7° |
| C31 | C26 | C27 | 119.4° | 119.6° |
| C26 | C31 | C30 | 120.9° | 120.6° |
| C26 | C31 | H37 | 119.6° | 119.7° |
| C26 | C27 | C22 | 121.5° | 122.5° |
| C26 | C27 | C28 | 118.9° | 119.7° |
| C31 | C30 | C29 | 119.7° | 119.7° |
| C31 | C30 | H36 | 120.2° | 120.1° |
| C30 | C31 | H37 | 119.6° | 119.7° |
| C1 | C2 | C3 | 110.2° | 109.5° |
| C1 | C2 | N84 | 109.6° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C1 | C2 | H26 | 108.6° | 109.5° |
| O8 | C7 | C6 | 119.3° | 120.0° |
| C7 | C6 | N5 | 107.4° | 109.4° |
| C7 | C6 | C80 | 115.1° | 109.5° |
| C7 | C6 | H13 | 106.9° | 109.4° |
| C72 | C71 | C70 | 123.4° | 120.1° |
| C72 | C71 | F75 | 118.2° | 119.9° |
| C71 | C72 | H61 | 121.7° | 120.0° |
| C22 | C27 | C28 | 119.6° | 117.8° |
| C27 | C22 | H27 | 106.0° | 109.2° |
| C2 | C3 | N5 | 115.9° | 120.0° |
| C3 | C2 | N84 | 110.5° | 109.5° |
| C3 | C2 | H26 | 108.6° | 109.4° |
| C3 | N5 | C6 | 129.7° | 120.0° |
| C3 | N5 | H14 | 115.1° | 120.0° |
| C27 | C28 | C29 | 120.8° | 120.6° |
| C27 | C28 | H34 | 119.6° | 119.7° |
| C30 | C29 | C28 | 120.3° | 119.8° |
| C30 | C29 | H35 | 119.8° | 120.1° |
| C29 | C30 | H36 | 120.2° | 120.1° |
| N5 | C6 | C80 | 112.7° | 109.5° |
| N5 | C6 | H13 | 107.9° | 109.5° |
| C6 | N5 | H14 | 115.2° | 120.0° |
| C6 | C80 | C82 | 110.2° | 109.5° |
| C6 | C80 | C83 | 110.4° | 109.5° |
| C6 | C80 | C81 | 111.7° | 109.5° |
| C80 | C6 | H13 | 106.6° | 109.5° |
| C2 | N84 | C85 | 113.2° | 111.0° |
| N84 | C2 | H26 | 109.3° | 109.5° |
| C2 | N84 | H79 | 108.5° | 111.0° |
| N84 | C85 | H71 | 109.5° | 109.5° |
| N84 | C85 | H72 | 109.5° | 109.5° |
| N84 | C85 | H73 | 109.5° | 109.5° |
| C85 | N84 | H79 | 108.5° | 111.0° |
| C69 | C70 | C71 | 118.4° | 120.1° |
| C70 | C69 | H59 | 119.8° | 120.0° |
| C69 | C70 | H60 | 120.8° | 120.0° |
| C29 | C28 | H34 | 119.6° | 119.7° |
| C28 | C29 | H35 | 119.9° | 120.1° |
| C70 | C71 | F75 | 118.4° | 120.0° |
| C71 | C70 | H60 | 120.8° | 119.9° |
| C82 | C80 | C83 | 107.9° | 109.5° |
| C82 | C80 | C81 | 108.3° | 109.5° |
| C80 | C82 | H65 | 109.5° | 109.4° |
| C80 | C82 | H66 | 109.5° | 109.5° |
| C80 | C82 | H67 | 109.5° | 109.5° |
| C83 | C80 | C81 | 108.2° | 109.5° |
| C80 | C83 | H68 | 109.5° | 109.5° |
| C80 | C83 | H69 | 109.5° | 109.5° |
| C80 | C83 | H70 | 109.5° | 109.5° |
| C80 | C81 | H62 | 109.5° | 109.5° |
| C80 | C81 | H63 | 109.5° | 109.5° |
| C80 | C81 | H64 | 109.5° | 109.5° |
| H1 | C43 | H2 | 109.5° | 109.4° |
| H3 | C40 | H4 | 109.5° | 109.5° |
| H5 | C36 | H6 | 109.5° | 109.5° |
| H7 | C33 | H8 | 109.5° | 109.5° |
| H9 | C37 | H10 | 109.5° | 109.5° |
| H11 | C34 | H12 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.4° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.5° |
| H19 | C10 | H20 | 109.4° | 109.4° |
| H24 | C17 | H25 | 109.4° | 109.2° |
| H28 | C23 | H29 | 109.5° | 109.7° |
| H30 | C24 | H31 | 109.5° | 109.7° |
| H32 | C25 | H33 | 109.5° | 109.2° |
| H38 | C39 | H39 | 109.4° | 109.5° |
| H40 | C42 | H41 | 109.4° | 109.5° |
| H42 | C45 | H43 | 109.5° | 109.4° |
| H44 | C46 | H45 | 109.4° | 109.5° |
| H46 | C51 | H47 | 109.5° | 109.6° |
| H48 | C52 | H49 | 109.5° | 109.6° |
| H50 | C53 | H51 | 109.5° | 109.5° |
| H53 | C55 | H54 | 109.5° | 109.5° |
| H62 | C81 | H63 | 109.5° | 109.4° |
| H62 | C81 | H64 | 109.5° | 109.4° |
| H63 | C81 | H64 | 109.4° | 109.5° |
| H65 | C82 | H66 | 109.5° | 109.5° |
| H65 | C82 | H67 | 109.5° | 109.5° |
| H66 | C82 | H67 | 109.4° | 109.5° |
| H68 | C83 | H69 | 109.5° | 109.5° |
| H68 | C83 | H70 | 109.5° | 109.4° |
| H69 | C83 | H70 | 109.4° | 109.5° |
| H71 | C85 | H72 | 109.4° | 109.4° |
| H71 | C85 | H73 | 109.5° | 109.4° |
| H72 | C85 | H73 | 109.5° | 109.5° |
| H75 | N78 | H76 | 120.0° | 119.9° |
| H77 | N79 | H78 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C53 | C52 | C51 | H48 | 120.2° | 119.9° |
| C53 | C52 | C51 | H49 | 120.2° | 119.9° |
| C52 | C53 | C54 | H50 | 120.3° | 120.0° |
| C52 | C53 | C54 | H51 | 120.3° | 120.0° |
| C53 | C52 | C51 | N50 | 55.4° | 54.6° |
| C52 | C53 | C54 | N56 | 174.7° | 178.7° |
| C52 | C53 | C54 | C55 | 51.8° | 61.4° |
| C53 | C52 | C51 | H46 | 64.7° | 65.1° |
| C53 | C52 | C51 | H47 | 175.5° | 174.5° |
| C53 | C52 | H48 | H49 | 119.4° | 120.1° |
| C52 | C53 | H50 | H51 | 119.1° | 119.9° |
| C52 | C53 | C54 | H52 | 66.7° | 58.6° |
| C51 | C52 | C53 | C54 | 51.3° | 61.3° |
| C52 | C51 | N50 | H46 | 120.1° | 119.7° |
| C52 | C51 | N50 | H47 | 120.1° | 120.0° |
| C52 | C51 | N50 | C48 | 96.4° | 126.4° |
| C52 | C51 | N50 | C55 | 61.4° | 53.6° |
| C52 | C51 | H46 | H47 | 119.6° | 120.4° |
| C51 | C52 | H48 | H49 | 119.4° | 120.1° |
| C51 | C52 | C53 | H50 | 171.6° | 178.6° |
| C51 | C52 | C53 | H51 | 69.0° | 58.7° |
| C37 | C36 | O35 | H5 | 120.0° | 120.0° |
| C37 | C36 | O35 | H6 | 120.1° | 120.0° |
| C36 | C37 | O38 | H9 | 120.3° | 120.0° |
| C36 | C37 | O38 | H10 | 120.3° | 120.0° |
| C37 | C36 | O35 | C34 | 151.0° | 180.0° |
| C36 | C37 | O38 | C39 | 107.4° | 180.0° |
| C37 | C36 | H5 | H6 | 119.9° | 119.9° |
| C36 | C37 | H9 | H10 | 119.1° | 120.1° |
| O35 | C36 | C37 | O38 | 61.5° | 65.0° |
| C36 | O35 | C34 | C33 | 107.8° | 180.0° |
| O35 | C36 | H5 | H6 | 119.9° | 120.0° |
| O35 | C36 | C37 | H9 | 178.3° | 175.0° |
| O35 | C36 | C37 | H10 | 58.8° | 55.0° |
| C36 | O35 | C34 | H11 | 132.2° | 60.0° |
| C36 | O35 | C34 | H12 | 12.3° | 60.0° |
| C37 | O38 | C39 | C40 | 109.1° | 180.0° |
| O38 | C37 | C36 | H5 | 178.5° | 175.0° |
| O38 | C37 | C36 | H6 | 58.6° | 55.0° |
| O38 | C37 | H9 | H10 | 119.1° | 119.9° |
| C37 | O38 | C39 | H38 | 11.2° | 60.0° |
| C37 | O38 | C39 | H39 | 130.6° | 60.0° |
| C53 | C54 | N56 | C55 | 123.6° | 119.9° |
| C53 | C54 | N56 | H52 | 118.2° | 120.0° |
| C53 | C54 | C55 | H52 | 118.4° | 119.9° |
| C53 | C54 | N56 | N60 | 50.0° | 60.0° |
| C53 | C54 | N56 | C57 | 127.0° | 120.0° |
| C53 | C54 | C55 | N50 | 55.5° | 54.6° |
| C54 | C53 | C52 | H48 | 171.5° | 58.6° |
| C54 | C53 | C52 | H49 | 68.9° | 178.7° |
| C54 | C53 | H50 | H51 | 119.1° | 120.0° |
| C53 | C54 | C55 | H53 | 175.5° | 174.4° |
| C53 | C54 | C55 | H54 | 64.5° | 65.3° |
| C42 | C43 | O44 | H1 | 120.3° | 120.0° |
| C42 | C43 | O44 | H2 | 120.3° | 120.0° |
| C43 | C42 | O41 | H40 | 120.2° | 120.0° |
| C43 | C42 | O41 | H41 | 120.2° | 120.0° |
| C43 | C42 | O41 | C40 | 142.0° | 180.0° |
| C42 | C43 | O44 | C45 | 76.2° | 180.0° |
| C42 | C43 | H1 | H2 | 119.0° | 120.0° |
| C43 | C42 | H40 | H41 | 119.5° | 120.0° |
| O44 | C43 | C42 | O41 | 42.5° | 65.0° |
| C43 | O44 | C45 | C46 | 132.0° | 180.0° |
| O44 | C43 | H1 | H2 | 119.0° | 120.0° |
| O44 | C43 | C42 | H40 | 162.7° | 175.0° |
| O44 | C43 | C42 | H41 | 77.7° | 55.0° |
| C43 | O44 | C45 | H42 | 107.9° | 60.0° |
| C43 | O44 | C45 | H43 | 11.9° | 60.0° |
| C51 | N50 | C48 | O49 | 0.3° | 179.7° |
| C51 | N50 | C55 | C54 | 61.0° | 53.6° |
| C51 | N50 | C48 | C55 | 155.4° | 179.9° |
| C51 | N50 | C48 | O47 | 179.9° | 0.1° |
| N50 | C51 | H46 | H47 | 119.7° | 120.3° |
| N50 | C51 | C52 | H48 | 175.6° | 65.3° |
| N50 | C51 | C52 | H49 | 64.8° | 174.5° |
| C51 | N50 | C55 | H53 | 179.0° | 173.4° |
| C51 | N50 | C55 | H54 | 59.0° | 66.3° |
| C42 | O41 | C40 | C39 | 142.8° | 180.0° |
| O41 | C42 | C43 | H1 | 162.8° | 175.0° |
| O41 | C42 | C43 | H2 | 77.8° | 55.0° |
| C42 | O41 | C40 | H3 | 22.7° | 60.0° |
| C42 | O41 | C40 | H4 | 97.1° | 60.0° |
| O41 | C42 | H40 | H41 | 119.5° | 120.0° |
| O35 | C34 | C33 | H11 | 120.0° | 120.0° |
| O35 | C34 | C33 | H12 | 120.0° | 120.0° |
| O35 | C34 | C33 | O32 | 73.5° | 65.0° |
| C34 | O35 | C36 | H5 | 89.0° | 60.0° |
| C34 | O35 | C36 | H6 | 30.9° | 60.0° |
| O35 | C34 | C33 | H7 | 46.1° | 175.0° |
| O35 | C34 | C33 | H8 | 166.8° | 55.0° |
| O35 | C34 | H11 | H12 | 119.8° | 120.0° |
| O38 | C39 | C40 | O41 | 68.1° | 65.0° |
| O38 | C39 | C40 | H38 | 120.3° | 120.0° |
| O38 | C39 | C40 | H39 | 120.3° | 120.0° |
| O38 | C39 | C40 | H3 | 52.0° | 175.0° |
| O38 | C39 | C40 | H4 | 171.9° | 55.0° |
| C39 | O38 | C37 | H9 | 132.3° | 60.0° |
| C39 | O38 | C37 | H10 | 12.9° | 60.0° |
| O38 | C39 | H38 | H39 | 119.2° | 120.0° |
| C14 | C15 | C16 | H23 | 180.0° | 179.9° |
| C15 | C14 | C13 | H22 | 180.0° | 180.0° |
| C15 | C14 | C13 | O32 | 175.9° | 180.0° |
| C14 | C15 | C16 | C17 | 176.9° | 179.5° |
| C14 | C15 | C16 | C11 | 0.6° | 0.5° |
| C15 | C14 | C13 | C12 | 0.3° | 0.2° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C16 | C17 | C11 | 177.6° | 180.0° |
| C15 | C16 | C17 | C18 | 135.8° | 159.9° |
| C15 | C16 | C11 | C12 | 0.9° | 0.7° |
| C15 | C16 | C11 | C10 | 179.1° | 178.6° |
| C16 | C15 | C14 | H22 | 179.7° | 180.0° |
| C15 | C16 | C17 | H24 | 104.0° | 79.8° |
| C15 | C16 | C17 | H25 | 15.5° | 39.5° |
| C14 | C13 | O32 | C12 | 176.0° | 179.7° |
| C14 | C13 | O32 | C33 | 172.2° | 0.3° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C14 | C13 | C12 | H21 | 179.4° | 180.0° |
| C13 | C14 | C15 | H23 | 179.7° | 179.9° |
| C34 | C33 | O32 | C13 | 125.9° | 180.0° |
| C34 | C33 | O32 | H7 | 119.7° | 120.0° |
| C34 | C33 | O32 | H8 | 119.7° | 120.0° |
| C34 | C33 | H7 | H8 | 121.0° | 120.0° |
| C33 | C34 | H11 | H12 | 119.9° | 120.0° |
| O49 | C48 | N50 | O47 | 179.9° | 179.8° |
| O49 | C48 | N50 | C55 | 155.7° | 0.2° |
| O49 | C48 | O47 | C46 | 6.1° | 0.2° |
| N56 | C54 | C55 | H52 | 118.5° | 120.1° |
| C54 | N56 | N60 | C57 | 177.4° | 180.0° |
| N56 | C54 | C55 | N50 | 178.6° | 174.6° |
| C54 | N56 | C57 | N79 | 2.9° | 0.2° |
| C54 | N56 | N60 | C59 | 176.2° | 180.0° |
| C54 | N56 | C57 | C58 | 176.5° | 180.0° |
| N56 | C54 | C53 | H50 | 65.0° | 58.7° |
| N56 | C54 | C53 | H51 | 54.4° | 61.3° |
| N56 | C54 | C55 | H53 | 61.4° | 65.6° |
| N56 | C54 | C55 | H54 | 58.6° | 54.7° |
| C55 | C54 | N56 | N60 | 73.7° | 59.9° |
| C55 | C54 | N56 | C57 | 109.3° | 120.1° |
| C54 | C55 | N50 | C48 | 96.3° | 126.4° |
| C54 | C55 | N50 | H53 | 120.0° | 119.8° |
| C54 | C55 | N50 | H54 | 120.0° | 119.9° |
| C55 | C54 | C53 | H50 | 172.1° | 178.6° |
| C55 | C54 | C53 | H51 | 68.5° | 58.6° |
| C54 | C55 | H53 | H54 | 120.0° | 120.3° |
| O41 | C40 | C39 | H3 | 120.1° | 120.0° |
| O41 | C40 | C39 | H4 | 120.1° | 120.0° |
| O41 | C40 | H3 | H4 | 119.8° | 120.0° |
| O41 | C40 | C39 | H38 | 52.2° | 175.0° |
| O41 | C40 | C39 | H39 | 171.6° | 55.0° |
| C40 | O41 | C42 | H40 | 97.8° | 60.0° |
| C40 | O41 | C42 | H41 | 21.8° | 60.0° |
| O32 | C13 | C12 | C11 | 175.3° | 179.7° |
| C13 | O32 | C33 | H7 | 114.4° | 60.0° |
| C13 | O32 | C33 | H8 | 6.3° | 60.0° |
| O32 | C13 | C12 | H21 | 4.7° | 0.3° |
| O32 | C13 | C14 | H22 | 4.1° | 0.0° |
| C33 | O32 | C13 | C12 | 3.8° | 180.0° |
| O32 | C33 | H7 | H8 | 121.0° | 120.0° |
| O32 | C33 | C34 | H11 | 166.5° | 175.0° |
| O32 | C33 | C34 | H12 | 46.5° | 55.0° |
| C16 | C17 | C18 | H24 | 120.3° | 120.3° |
| C16 | C17 | C18 | H25 | 120.3° | 120.4° |
| C17 | C16 | C11 | C12 | 176.8° | 179.3° |
| C17 | C16 | C11 | C10 | 3.2° | 1.4° |
| C16 | C17 | C18 | N9 | 49.8° | 47.4° |
| C16 | C17 | C18 | C19 | 78.4° | 167.0° |
| C16 | C17 | C18 | H15 | 166.2° | 72.2° |
| C17 | C16 | C15 | H23 | 3.1° | 0.4° |
| C16 | C17 | H24 | H25 | 119.3° | 119.3° |
| C11 | C16 | C17 | C18 | 41.8° | 20.1° |
| C16 | C11 | C12 | C13 | 0.9° | 0.5° |
| C16 | C11 | C12 | C10 | 180.0° | 179.4° |
| C16 | C11 | C10 | N9 | 38.5° | 11.5° |
| C16 | C11 | C10 | H19 | 158.9° | 131.6° |
| C16 | C11 | C10 | H20 | 81.9° | 108.6° |
| C16 | C11 | C12 | H21 | 179.1° | 179.5° |
| C11 | C16 | C15 | H23 | 179.4° | 179.6° |
| C11 | C16 | C17 | H24 | 78.4° | 100.2° |
| C11 | C16 | C17 | H25 | 162.1° | 140.5° |
| O44 | C45 | C46 | H42 | 120.1° | 120.0° |
| O44 | C45 | C46 | H43 | 120.1° | 120.0° |
| O44 | C45 | C46 | O47 | 101.4° | 65.0° |
| C45 | O44 | C43 | H1 | 44.2° | 60.0° |
| C45 | O44 | C43 | H2 | 163.5° | 60.0° |
| O44 | C45 | H42 | H43 | 119.7° | 120.0° |
| O44 | C45 | C46 | H44 | 18.5° | 175.0° |
| O44 | C45 | C46 | H45 | 138.7° | 55.0° |
| C17 | C18 | N9 | C10 | 15.0° | 64.2° |
| C17 | C18 | N9 | C19 | 126.4° | 119.6° |
| C17 | C18 | N9 | H15 | 116.0° | 119.7° |
| C17 | C18 | C19 | H15 | 115.4° | 120.8° |
| C17 | C18 | N9 | C7 | 166.0° | 115.8° |
| C17 | C18 | C19 | N21 | 71.9° | 56.2° |
| C17 | C18 | C19 | O20 | 109.9° | 123.9° |
| C18 | C17 | H24 | H25 | 119.3° | 119.3° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.1° | 178.9° |
| C12 | C13 | C14 | H22 | 179.7° | 179.7° |
| N60 | N56 | C57 | N79 | 179.8° | 179.8° |
| N60 | N56 | C57 | C58 | 0.7° | 0.0° |
| N56 | N60 | C59 | C58 | 1.1° | 0.0° |
| N56 | N60 | C59 | C61 | 173.8° | 179.9° |
| N60 | N56 | C54 | H52 | 168.2° | 180.0° |
| N56 | C57 | N79 | C58 | 179.3° | 179.8° |
| C57 | N56 | N60 | C59 | 1.2° | 0.0° |
| N56 | C57 | C58 | C59 | 0.0° | 0.0° |
| N56 | C57 | C58 | C76 | 178.1° | 180.0° |
| C57 | N56 | C54 | H52 | 8.8° | 0.0° |
| N56 | C57 | N79 | H77 | 180.0° | 179.7° |
| N56 | C57 | N79 | H78 | 60.0° | 0.2° |
| N50 | C48 | O47 | C46 | 173.8° | 180.0° |
| C48 | N50 | C51 | H46 | 143.5° | 113.9° |
| C48 | N50 | C51 | H47 | 23.7° | 6.4° |
| C48 | N50 | C55 | H53 | 23.7° | 6.5° |
| C48 | N50 | C55 | H54 | 143.7° | 113.7° |
| C55 | N50 | C48 | O47 | 24.4° | 180.0° |
| C55 | N50 | C51 | H46 | 58.7° | 66.2° |
| C55 | N50 | C51 | H47 | 178.5° | 173.5° |
| N50 | C55 | C54 | H52 | 62.9° | 65.3° |
| N50 | C55 | H53 | H54 | 120.0° | 120.3° |
| C65 | C66 | C61 | H58 | 180.0° | 179.5° |
| C66 | C65 | C64 | H57 | 180.0° | 179.7° |
| C65 | C66 | C61 | C59 | 177.6° | 179.8° |
| C65 | C66 | C61 | C62 | 1.0° | 0.6° |
| C66 | C65 | C64 | O67 | 173.1° | 179.7° |
| C66 | C65 | C64 | C63 | 2.3° | 0.3° |
| C66 | C61 | C59 | N60 | 125.0° | 144.7° |
| C61 | C66 | C65 | C64 | 1.0° | 0.5° |
| C66 | C61 | C59 | C58 | 48.8° | 35.4° |
| C66 | C61 | C59 | C62 | 178.5° | 179.6° |
| C66 | C61 | C62 | C63 | 1.7° | 0.4° |
| C66 | C61 | C62 | H55 | 178.3° | 179.7° |
| C61 | C66 | C65 | H57 | 179.0° | 179.7° |
| N79 | C57 | C58 | C59 | 179.4° | 179.8° |
| N79 | C57 | C58 | C76 | 1.2° | 0.2° |
| C57 | N79 | H77 | H78 | 120.0° | 179.9° |
| C48 | O47 | C46 | C45 | 100.3° | 179.9° |
| C48 | O47 | C46 | H44 | 19.6° | 60.0° |
| C48 | O47 | C46 | H45 | 139.8° | 60.0° |
| N60 | C59 | C58 | C57 | 0.7° | 0.0° |
| N60 | C59 | C58 | C61 | 174.2° | 179.9° |
| N60 | C59 | C58 | C76 | 178.8° | 180.0° |
| N60 | C59 | C61 | C62 | 56.5° | 34.9° |
| C57 | C58 | C76 | O77 | 37.2° | 89.9° |
| C57 | C58 | C59 | C76 | 178.1° | 180.0° |
| C57 | C58 | C59 | C61 | 173.5° | 179.9° |
| C57 | C58 | C76 | N78 | 143.3° | 90.0° |
| C58 | C57 | N79 | H77 | 0.7° | 0.1° |
| C58 | C57 | N79 | H78 | 120.7° | 180.0° |
| C65 | C64 | O67 | C63 | 175.1° | 180.0° |
| C65 | C64 | O67 | C68 | 171.1° | 104.9° |
| C65 | C64 | C63 | C62 | 1.5° | 0.0° |
| C65 | C64 | C63 | H56 | 178.4° | 180.0° |
| C64 | C65 | C66 | H58 | 179.0° | 180.0° |
| C39 | C40 | H3 | H4 | 119.8° | 120.0° |
| C40 | C39 | H38 | H39 | 119.2° | 120.0° |
| O77 | C76 | C58 | C59 | 140.5° | 90.0° |
| O77 | C76 | C58 | N78 | 179.5° | 179.9° |
| O77 | C76 | N78 | H75 | 0.0° | 180.0° |
| O77 | C76 | N78 | H76 | 180.0° | 0.0° |
| C12 | C11 | C10 | N9 | 141.5° | 169.1° |
| C12 | C11 | C10 | H19 | 21.1° | 49.0° |
| C12 | C11 | C10 | H20 | 98.1° | 70.8° |
| C11 | C10 | N9 | H19 | 120.4° | 120.1° |
| C11 | C10 | N9 | H20 | 120.4° | 120.1° |
| C11 | C10 | N9 | C18 | 28.1° | 44.4° |
| C11 | C10 | N9 | C7 | 150.9° | 135.6° |
| C11 | C10 | H19 | H20 | 118.9° | 119.8° |
| C10 | C11 | C12 | H21 | 0.8° | 1.1° |
| C58 | C59 | C61 | C62 | 129.7° | 145.0° |
| C59 | C58 | C76 | N78 | 39.0° | 90.0° |
| C61 | C59 | C58 | C76 | 4.6° | 0.1° |
| C59 | C61 | C62 | C63 | 176.9° | 180.0° |
| C59 | C61 | C62 | H55 | 3.1° | 0.1° |
| C59 | C61 | C66 | H58 | 2.4° | 0.3° |
| C58 | C76 | N78 | H75 | 179.5° | 0.1° |
| C58 | C76 | N78 | H76 | 0.5° | 180.0° |
| F74 | C73 | C68 | O67 | 1.5° | 0.3° |
| F74 | C73 | C68 | C72 | 178.3° | 179.9° |
| F74 | C73 | C68 | C69 | 177.9° | 180.0° |
| F74 | C73 | C72 | C71 | 177.7° | 180.0° |
| F74 | C73 | C72 | H61 | 2.3° | 0.1° |
| C61 | C62 | C63 | C64 | 0.5° | 0.1° |
| C61 | C62 | C63 | H55 | 180.0° | 179.9° |
| C61 | C62 | C63 | H56 | 179.6° | 179.9° |
| C62 | C61 | C66 | H58 | 179.0° | 180.0° |
| C76 | N78 | H75 | H76 | 180.0° | 180.0° |
| C45 | C46 | O47 | H44 | 119.9° | 120.0° |
| C45 | C46 | O47 | H45 | 119.9° | 120.0° |
| C46 | C45 | H42 | H43 | 119.7° | 120.0° |
| C45 | C46 | H44 | H45 | 120.3° | 120.0° |
| C10 | N9 | C18 | C7 | 179.0° | 180.0° |
| C10 | N9 | C18 | C19 | 111.3° | 176.1° |
| C10 | N9 | C7 | O8 | 178.6° | 131.9° |
| C10 | N9 | C7 | C6 | 0.8° | 48.0° |
| C10 | N9 | C18 | H15 | 131.0° | 55.5° |
| N9 | C10 | H19 | H20 | 118.8° | 119.9° |
| O67 | C64 | C63 | C62 | 173.3° | 180.0° |
| C64 | O67 | C68 | C73 | 105.0° | 175.2° |
| C64 | O67 | C68 | C69 | 78.7° | 5.1° |
| O67 | C64 | C63 | H56 | 6.7° | 0.1° |
| O67 | C64 | C65 | H57 | 6.8° | 0.0° |
| C63 | C64 | O67 | C68 | 4.0° | 75.1° |
| C64 | C63 | C62 | H56 | 180.0° | 180.0° |
| C64 | C63 | C62 | H55 | 179.5° | 180.0° |
| C63 | C64 | C65 | H57 | 177.8° | 180.0° |
| O47 | C46 | C45 | H42 | 138.5° | 175.0° |
| O47 | C46 | C45 | H43 | 18.6° | 55.0° |
| O47 | C46 | H44 | H45 | 120.3° | 120.0° |
| N9 | C18 | C19 | H15 | 118.0° | 120.7° |
| N9 | C18 | C19 | N21 | 161.5° | 174.7° |
| N9 | C18 | C19 | O20 | 16.7° | 5.4° |
| C18 | N9 | C7 | O8 | 2.4° | 48.1° |
| C18 | N9 | C7 | C6 | 178.2° | 132.0° |
| C18 | N9 | C10 | H19 | 148.5° | 164.5° |
| C18 | N9 | C10 | H20 | 92.3° | 75.7° |
| N9 | C18 | C17 | H24 | 70.5° | 72.8° |
| N9 | C18 | C17 | H25 | 170.0° | 167.9° |
| C19 | C18 | N9 | C7 | 67.7° | 3.8° |
| C18 | C19 | N21 | O20 | 178.1° | 179.9° |
| C18 | C19 | N21 | C22 | 173.4° | 180.0° |
| C19 | C18 | C17 | H24 | 161.4° | 46.8° |
| C19 | C18 | C17 | H25 | 41.9° | 72.5° |
| C18 | C19 | N21 | H74 | 6.7° | 0.0° |
| O67 | C68 | C73 | C69 | 176.4° | 179.7° |
| O67 | C68 | C73 | C72 | 176.8° | 179.8° |
| O67 | C68 | C69 | C70 | 176.2° | 179.7° |
| O67 | C68 | C69 | H59 | 3.8° | 0.3° |
| C25 | C24 | C23 | H30 | 120.2° | 119.7° |
| C25 | C24 | C23 | H31 | 120.2° | 119.8° |
| C24 | C25 | C26 | H32 | 120.5° | 120.2° |
| C24 | C25 | C26 | H33 | 120.5° | 120.3° |
| C25 | C24 | C23 | C22 | 58.9° | 69.9° |
| C24 | C25 | C26 | C31 | 156.9° | 162.5° |
| C24 | C25 | C26 | C27 | 24.1° | 17.9° |
| C25 | C24 | C23 | H28 | 61.3° | 49.8° |
| C25 | C24 | C23 | H29 | 179.2° | 170.4° |
| C25 | C24 | H30 | H31 | 119.3° | 120.5° |
| C24 | C25 | H32 | H33 | 118.4° | 119.5° |
| C23 | C24 | C25 | C26 | 50.6° | 51.1° |
| C24 | C23 | C22 | N21 | 88.6° | 171.4° |
| C24 | C23 | C22 | H28 | 120.3° | 119.7° |
| C24 | C23 | C22 | H29 | 120.3° | 119.8° |
| C24 | C23 | C22 | C27 | 39.6° | 51.2° |
| C24 | C23 | C22 | H27 | 156.5° | 69.1° |
| C24 | C23 | H28 | H29 | 119.1° | 120.6° |
| C23 | C24 | H30 | H31 | 119.4° | 120.6° |
| C23 | C24 | C25 | H32 | 171.1° | 171.3° |
| C23 | C24 | C25 | H33 | 69.9° | 69.2° |
| N9 | C7 | O8 | C6 | 179.4° | 179.9° |
| N9 | C7 | C6 | N5 | 134.4° | 137.2° |
| N9 | C7 | C6 | C80 | 99.3° | 102.8° |
| N9 | C7 | C6 | H13 | 18.9° | 17.2° |
| C7 | N9 | C18 | H15 | 50.0° | 124.5° |
| C7 | N9 | C10 | H19 | 30.5° | 15.5° |
| C7 | N9 | C10 | H20 | 88.7° | 104.3° |
| C25 | C26 | C31 | C27 | 179.0° | 179.6° |
| C25 | C26 | C31 | C30 | 178.7° | 179.4° |
| C25 | C26 | C27 | C22 | 5.0° | 0.9° |
| C25 | C26 | C27 | C28 | 177.5° | 179.2° |
| C26 | C25 | C24 | H30 | 170.8° | 170.8° |
| C26 | C25 | C24 | H31 | 69.6° | 68.6° |
| C26 | C25 | H32 | H33 | 118.4° | 119.5° |
| C25 | C26 | C31 | H37 | 1.3° | 0.6° |
| C68 | C73 | C72 | C71 | 0.6° | 0.1° |
| C73 | C68 | C69 | C70 | 0.2° | 0.0° |
| C73 | C68 | C69 | H59 | 179.8° | 180.0° |
| C68 | C73 | C72 | H61 | 179.4° | 180.0° |
| C72 | C73 | C68 | C69 | 0.4° | 0.0° |
| C73 | C72 | C71 | H61 | 180.0° | 179.9° |
| C73 | C72 | C71 | C70 | 0.2° | 0.1° |
| C73 | C72 | C71 | F75 | 180.0° | 180.0° |
| C19 | N21 | C22 | H74 | 180.0° | 180.0° |
| C19 | N21 | C22 | C23 | 91.0° | 153.9° |
| C19 | N21 | C22 | C27 | 139.2° | 85.0° |
| N21 | C19 | C18 | H15 | 43.4° | 64.6° |
| C19 | N21 | C22 | H27 | 23.4° | 34.5° |
| C22 | N21 | C19 | O20 | 4.8° | 0.1° |
| N21 | C22 | C23 | C27 | 128.2° | 120.3° |
| N21 | C22 | C23 | H27 | 114.9° | 119.5° |
| N21 | C22 | C27 | C26 | 113.9° | 138.2° |
| N21 | C22 | C27 | H27 | 116.2° | 119.5° |
| N21 | C22 | C27 | C28 | 63.5° | 41.9° |
| N21 | C22 | C23 | H28 | 151.1° | 51.7° |
| N21 | C22 | C23 | H29 | 31.7° | 68.8° |
| O4 | C3 | C2 | C1 | 81.8° | 120.0° |
| O4 | C3 | C2 | N5 | 179.0° | 179.9° |
| O4 | C3 | N5 | C6 | 0.3° | 0.0° |
| O4 | C3 | C2 | N84 | 39.5° | 0.0° |
| O4 | C3 | N5 | H14 | 179.6° | 179.9° |
| O4 | C3 | C2 | H26 | 159.4° | 120.0° |
| O20 | C19 | C18 | H15 | 134.7° | 115.3° |
| O20 | C19 | N21 | H74 | 175.2° | 180.0° |
| C68 | C69 | C70 | H59 | 180.0° | 179.9° |
| C68 | C69 | C70 | C71 | 0.6° | 0.0° |
| C68 | C69 | C70 | H60 | 179.4° | 179.9° |
| C23 | C22 | C27 | C26 | 13.0° | 17.9° |
| C23 | C22 | C27 | H27 | 116.9° | 120.3° |
| C23 | C22 | C27 | C28 | 169.5° | 162.1° |
| C22 | C23 | H28 | H29 | 119.2° | 120.5° |
| C22 | C23 | C24 | H30 | 179.1° | 170.5° |
| C22 | C23 | C24 | H31 | 61.3° | 49.9° |
| C23 | C22 | N21 | H74 | 88.9° | 26.1° |
| C26 | C31 | C30 | H37 | 180.0° | 180.0° |
| C31 | C26 | C27 | C22 | 175.9° | 179.5° |
| C31 | C26 | C27 | C28 | 1.6° | 0.4° |
| C26 | C31 | C30 | C29 | 0.6° | 0.0° |
| C31 | C26 | C25 | H32 | 36.4° | 42.3° |
| C31 | C26 | C25 | H33 | 82.6° | 77.1° |
| C26 | C31 | C30 | H36 | 179.4° | 180.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.3° |
| C26 | C27 | C22 | C28 | 177.5° | 180.0° |
| C26 | C27 | C28 | C29 | 1.9° | 0.3° |
| C26 | C27 | C22 | H27 | 129.9° | 102.4° |
| C27 | C26 | C25 | H32 | 144.6° | 138.1° |
| C27 | C26 | C25 | H33 | 96.5° | 102.5° |
| C26 | C27 | C28 | H34 | 178.1° | 179.8° |
| C27 | C26 | C31 | H37 | 179.7° | 179.7° |
| C31 | C30 | C29 | H36 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.2° |
| C31 | C30 | C29 | H35 | 179.7° | 179.9° |
| C1 | C2 | C3 | N84 | 121.3° | 120.0° |
| C1 | C2 | C3 | H26 | 118.8° | 120.0° |
| C1 | C2 | C3 | N5 | 99.2° | 59.9° |
| C1 | C2 | N84 | H26 | 118.9° | 120.0° |
| C1 | C2 | N84 | C85 | 143.8° | 85.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | N84 | H79 | 95.7° | 151.0° |
| O8 | C7 | C6 | N5 | 45.0° | 43.0° |
| O8 | C7 | C6 | C80 | 81.3° | 77.1° |
| O8 | C7 | C6 | H13 | 160.5° | 163.0° |
| C7 | C6 | N5 | C3 | 109.0° | 155.0° |
| C7 | C6 | N5 | C80 | 127.7° | 120.0° |
| C7 | C6 | N5 | H13 | 114.9° | 119.9° |
| C7 | C6 | C80 | H13 | 118.3° | 120.0° |
| C7 | C6 | C80 | C82 | 83.1° | 61.4° |
| C7 | C6 | C80 | C83 | 157.8° | 58.6° |
| C7 | C6 | C80 | C81 | 37.4° | 178.6° |
| C7 | C6 | N5 | H14 | 71.0° | 25.0° |
| C72 | C71 | C70 | C69 | 0.4° | 0.0° |
| C72 | C71 | C70 | F75 | 179.9° | 179.9° |
| C72 | C71 | C70 | H60 | 179.6° | 179.9° |
| C22 | C27 | C28 | C29 | 175.7° | 179.7° |
| C27 | C22 | C23 | H28 | 80.7° | 68.6° |
| C27 | C22 | C23 | H29 | 159.9° | 170.9° |
| C22 | C27 | C28 | H34 | 4.3° | 0.2° |
| C27 | C22 | N21 | H74 | 40.8° | 95.0° |
| C2 | C3 | N5 | C6 | 179.3° | 180.0° |
| C3 | C2 | N84 | H26 | 119.4° | 120.0° |
| C3 | C2 | N84 | C85 | 94.5° | 155.0° |
| C2 | C3 | N5 | H14 | 0.7° | 0.0° |
| C3 | C2 | C1 | H16 | 180.0° | 60.0° |
| C3 | C2 | C1 | H17 | 60.0° | 180.0° |
| C3 | C2 | C1 | H18 | 60.0° | 60.1° |
| C3 | C2 | N84 | H79 | 26.0° | 31.0° |
| C3 | N5 | C6 | H14 | 180.0° | 180.0° |
| C3 | N5 | C6 | C80 | 123.3° | 85.0° |
| N5 | C3 | C2 | N84 | 139.5° | 180.0° |
| C3 | N5 | C6 | H13 | 5.9° | 35.0° |
| N5 | C3 | C2 | H26 | 19.6° | 60.0° |
| C27 | C28 | C29 | C30 | 1.0° | 0.0° |
| C27 | C28 | C29 | H34 | 180.0° | 179.9° |
| C28 | C27 | C22 | H27 | 52.6° | 77.6° |
| C27 | C28 | C29 | H35 | 179.0° | 179.9° |
| C30 | C29 | C28 | H35 | 180.0° | 179.9° |
| C30 | C29 | C28 | H34 | 179.0° | 179.9° |
| C29 | C30 | C31 | H37 | 179.4° | 180.0° |
| N5 | C6 | C80 | H13 | 118.2° | 120.1° |
| N5 | C6 | C80 | C82 | 153.4° | 58.6° |
| N5 | C6 | C80 | C83 | 34.3° | 178.5° |
| N5 | C6 | C80 | C81 | 86.1° | 61.4° |
| C6 | C80 | C82 | C83 | 120.6° | 120.0° |
| C6 | C80 | C82 | C81 | 122.5° | 120.0° |
| C6 | C80 | C83 | C81 | 122.5° | 120.0° |
| C80 | C6 | N5 | H14 | 56.7° | 95.0° |
| C6 | C80 | C81 | H62 | 180.0° | 60.0° |
| C6 | C80 | C81 | H63 | 60.0° | 180.0° |
| C6 | C80 | C81 | H64 | 60.0° | 60.0° |
| C6 | C80 | C82 | H65 | 180.0° | 60.0° |
| C6 | C80 | C82 | H66 | 60.0° | 180.0° |
| C6 | C80 | C82 | H67 | 60.0° | 60.0° |
| C6 | C80 | C83 | H68 | 180.0° | 60.2° |
| C6 | C80 | C83 | H69 | 60.0° | 179.7° |
| C6 | C80 | C83 | H70 | 60.0° | 59.7° |
| C2 | N84 | C85 | H79 | 120.5° | 124.0° |
| N84 | C2 | C1 | H16 | 58.2° | 180.0° |
| N84 | C2 | C1 | H17 | 61.8° | 60.0° |
| N84 | C2 | C1 | H18 | 178.2° | 60.0° |
| C2 | N84 | C85 | H71 | 180.0° | 60.0° |
| C2 | N84 | C85 | H72 | 60.0° | 60.0° |
| C2 | N84 | C85 | H73 | 60.0° | 180.0° |
| C85 | N84 | C2 | H26 | 24.9° | 35.0° |
| N84 | C85 | H71 | H72 | 120.0° | 120.0° |
| N84 | C85 | H71 | H73 | 120.0° | 120.0° |
| N84 | C85 | H72 | H73 | 120.0° | 120.1° |
| C69 | C70 | C71 | H60 | 180.0° | 179.9° |
| C69 | C70 | C71 | F75 | 179.5° | 180.0° |
| C28 | C29 | C30 | H36 | 179.7° | 179.9° |
| C71 | C70 | C69 | H59 | 179.4° | 179.9° |
| C70 | C71 | C72 | H61 | 179.9° | 180.0° |
| F75 | C71 | C70 | H60 | 0.5° | 0.0° |
| F75 | C71 | C72 | H61 | 0.0° | 0.1° |
| C82 | C80 | C83 | C81 | 117.0° | 120.0° |
| C82 | C80 | C6 | H13 | 35.2° | 178.6° |
| C82 | C80 | C81 | H62 | 58.4° | 60.0° |
| C82 | C80 | C81 | H63 | 178.5° | 60.0° |
| C82 | C80 | C81 | H64 | 61.6° | 179.9° |
| C80 | C82 | H65 | H66 | 120.0° | 120.0° |
| C80 | C82 | H65 | H67 | 120.0° | 120.0° |
| C80 | C82 | H66 | H67 | 120.0° | 120.0° |
| C82 | C80 | C83 | H68 | 59.5° | 179.8° |
| C82 | C80 | C83 | H69 | 60.5° | 59.7° |
| C82 | C80 | C83 | H70 | 179.5° | 60.3° |
| C83 | C80 | C6 | H13 | 83.9° | 61.4° |
| C83 | C80 | C81 | H62 | 58.3° | 180.0° |
| C83 | C80 | C81 | H63 | 61.7° | 60.0° |
| C83 | C80 | C81 | H64 | 178.3° | 60.1° |
| C83 | C80 | C82 | H65 | 59.4° | 60.0° |
| C83 | C80 | C82 | H66 | 179.4° | 59.9° |
| C83 | C80 | C82 | H67 | 60.6° | 180.0° |
| C80 | C83 | H68 | H69 | 120.0° | 120.0° |
| C80 | C83 | H68 | H70 | 120.0° | 120.0° |
| C80 | C83 | H69 | H70 | 120.0° | 120.0° |
| C81 | C80 | C6 | H13 | 155.7° | 58.6° |
| C80 | C81 | H62 | H63 | 120.0° | 120.0° |
| C80 | C81 | H62 | H64 | 120.0° | 120.0° |
| C80 | C81 | H63 | H64 | 120.0° | 120.1° |
| C81 | C80 | C82 | H65 | 57.5° | 180.0° |
| C81 | C80 | C82 | H66 | 62.5° | 60.0° |
| C81 | C80 | C82 | H67 | 177.6° | 60.0° |
| C81 | C80 | C83 | H68 | 57.5° | 59.8° |
| C81 | C80 | C83 | H69 | 177.5° | 60.2° |
| C81 | C80 | C83 | H70 | 62.5° | 179.7° |
| H1 | C43 | C42 | H40 | 77.0° | 55.0° |
| H1 | C43 | C42 | H41 | 42.6° | 65.0° |
| H2 | C43 | C42 | H40 | 42.4° | 65.0° |
| H2 | C43 | C42 | H41 | 162.0° | 175.0° |
| H3 | C40 | C39 | H38 | 172.3° | 55.0° |
| H3 | C40 | C39 | H39 | 68.3° | 65.0° |
| H4 | C40 | C39 | H38 | 67.9° | 65.0° |
| H4 | C40 | C39 | H39 | 51.6° | 175.0° |
| H5 | C36 | C37 | H9 | 58.2° | 55.0° |
| H5 | C36 | C37 | H10 | 61.2° | 65.1° |
| H6 | C36 | C37 | H9 | 61.7° | 64.9° |
| H6 | C36 | C37 | H10 | 178.9° | 175.0° |
| H7 | C33 | C34 | H11 | 73.9° | 55.0° |
| H7 | C33 | C34 | H12 | 166.2° | 65.0° |
| H8 | C33 | C34 | H11 | 46.8° | 65.0° |
| H8 | C33 | C34 | H12 | 73.2° | 175.0° |
| H13 | C6 | N5 | H14 | 174.1° | 144.9° |
| H15 | C18 | C17 | H24 | 46.0° | 167.5° |
| H15 | C18 | C17 | H25 | 73.5° | 48.2° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H16 | C1 | C2 | H26 | 61.2° | 60.0° |
| H17 | C1 | C2 | H26 | 178.8° | 60.0° |
| H18 | C1 | C2 | H26 | 58.8° | NaN° |
| H22 | C14 | C15 | H23 | 0.3° | 0.1° |
| H26 | C2 | N84 | H79 | 145.4° | 89.0° |
| H27 | C22 | C23 | H28 | 36.3° | 171.2° |
| H27 | C22 | C23 | H29 | 83.2° | 50.7° |
| H27 | C22 | N21 | H74 | 156.6° | 145.5° |
| H28 | C23 | C24 | H30 | 58.9° | 69.8° |
| H28 | C23 | C24 | H31 | 178.4° | 169.6° |
| H29 | C23 | C24 | H30 | 60.6° | 50.7° |
| H29 | C23 | C24 | H31 | 59.0° | 69.9° |
| H30 | C24 | C25 | H32 | 68.7° | 69.0° |
| H30 | C24 | C25 | H33 | 50.3° | 50.5° |
| H31 | C24 | C25 | H32 | 50.9° | 51.6° |
| H31 | C24 | C25 | H33 | 169.9° | 171.0° |
| H34 | C28 | C29 | H35 | 1.0° | 0.1° |
| H35 | C29 | C30 | H36 | 0.3° | 0.1° |
| H36 | C30 | C31 | H37 | 0.6° | 0.0° |
| H42 | C45 | C46 | H44 | 101.6° | 55.0° |
| H42 | C45 | C46 | H45 | 18.6° | 65.1° |
| H43 | C45 | C46 | H44 | 138.6° | 65.0° |
| H43 | C45 | C46 | H45 | 101.2° | 175.0° |
| H46 | C51 | C52 | H48 | 55.5° | 175.0° |
| H46 | C51 | C52 | H49 | 175.1° | 54.8° |
| H47 | C51 | C52 | H48 | 64.3° | 54.6° |
| H47 | C51 | C52 | H49 | 55.3° | 65.6° |
| H48 | C52 | C53 | H50 | 68.2° | 61.5° |
| H48 | C52 | C53 | H51 | 51.2° | 178.6° |
| H49 | C52 | C53 | H50 | 51.4° | 58.6° |
| H49 | C52 | C53 | H51 | 170.8° | 61.3° |
| H50 | C53 | C54 | H52 | 53.6° | 61.4° |
| H51 | C53 | C54 | H52 | 173.0° | 178.6° |
| H52 | C54 | C55 | H53 | 57.0° | 54.5° |
| H52 | C54 | C55 | H54 | 177.1° | 174.8° |
| H55 | C62 | C63 | H56 | 0.4° | 0.0° |
| H57 | C65 | C66 | H58 | 1.0° | 0.3° |
| H59 | C69 | C70 | H60 | 0.6° | 0.0° |
| H62 | C81 | H63 | H64 | 120.0° | 119.9° |
| H65 | C82 | H66 | H67 | 120.0° | 120.0° |
| H68 | C83 | H69 | H70 | 120.0° | 120.0° |
| H71 | C85 | H72 | H73 | 120.0° | 119.9° |
| H71 | C85 | N84 | H79 | 59.5° | 176.0° |
| H72 | C85 | N84 | H79 | 179.5° | 64.0° |
| H73 | C85 | N84 | H79 | 60.5° | 56.1° |
