JB0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | sing | 1.43Å | 1.44Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C07 | C02 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.47Å | |
| C02 | O03 | sing | 1.43Å | 1.46Å | |
| C06 | C05 | sing | 1.53Å | 1.46Å | |
| O03 | C04 | sing | 1.43Å | 1.46Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | O09 | sing | 1.43Å | 1.38Å | |
| O77 | C76 | sing | 1.43Å | 1.40Å | |
| C75 | C74 | sing | 1.53Å | 1.48Å | |
| C76 | C74 | sing | 1.53Å | 1.53Å | |
| C76 | C10 | sing | 1.53Å | 1.50Å | |
| O09 | C10 | sing | 1.43Å | 1.47Å | |
| C74 | O73 | sing | 1.43Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| O73 | C12 | sing | 1.43Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.39Å | |
| O13 | C14 | sing | 1.43Å | 1.49Å | |
| C14 | C71 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| O16 | C15 | sing | 1.43Å | 1.45Å | |
| C72 | C71 | sing | 1.53Å | 1.50Å | |
| C71 | O70 | sing | 1.43Å | 1.48Å | |
| C15 | C17 | sing | 1.53Å | 1.47Å | |
| O70 | C18 | sing | 1.43Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O19 | sing | 1.43Å | 1.38Å | |
| O19 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.47Å | |
| C20 | C68 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C68 | O67 | sing | 1.43Å | 1.46Å | |
| C68 | C69 | sing | 1.53Å | 1.52Å | |
| O67 | C23 | sing | 1.43Å | 1.48Å | |
| C23 | O24 | sing | 1.43Å | 1.41Å | |
| O66 | C65 | sing | 1.43Å | 1.43Å | |
| O24 | C25 | sing | 1.43Å | 1.48Å | |
| C65 | C25 | sing | 1.53Å | 1.50Å | |
| C65 | C63 | sing | 1.53Å | 1.52Å | |
| O31 | C30 | sing | 1.43Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.48Å | |
| C64 | C63 | sing | 1.53Å | 1.48Å | |
| C63 | O62 | sing | 1.43Å | 1.47Å | |
| C30 | C32 | sing | 1.53Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O28 | C27 | sing | 1.43Å | 1.37Å | |
| O28 | C29 | sing | 1.43Å | 1.49Å | |
| O62 | C27 | sing | 1.43Å | 1.51Å | |
| C29 | C60 | sing | 1.53Å | 1.52Å | |
| C33 | O59 | sing | 1.43Å | 1.51Å | |
| C33 | O34 | sing | 1.43Å | 1.38Å | |
| C46 | C47 | doub | 1.37Å | 1.43Å | Aromatic |
| C46 | C44 | sing | 1.40Å | 1.41Å | Aromatic |
| C47 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| O45 | C44 | sing | 1.36Å | 1.40Å | |
| O59 | C60 | sing | 1.43Å | 1.48Å | |
| C44 | C43 | doub | 1.40Å | 1.43Å | Aromatic |
| C60 | C61 | sing | 1.53Å | 1.51Å | |
| C35 | O34 | sing | 1.36Å | 1.43Å | |
| C35 | C36 | doub | 1.39Å | 1.44Å | Aromatic |
| C43 | C36 | sing | 1.41Å | 1.41Å | Aromatic |
| C43 | C41 | sing | 1.47Å | 1.57Å | |
| C36 | C37 | sing | 1.48Å | 1.58Å | |
| O42 | C41 | doub | 1.21Å | 1.18Å | |
| C41 | C40 | sing | 1.48Å | 1.55Å | |
| O50 | C49 | sing | 1.36Å | 1.42Å | |
| C37 | O38 | doub | 1.22Å | 1.18Å | |
| C37 | C39 | sing | 1.47Å | 1.54Å | |
| C40 | C39 | doub | 1.36Å | 1.47Å | |
| C40 | C48 | sing | 1.47Å | 1.55Å | |
| C39 | C57 | sing | 1.51Å | 1.55Å | |
| O58 | C57 | sing | 1.43Å | 1.39Å | |
| C49 | C48 | doub | 1.40Å | 1.42Å | Aromatic |
| C49 | C51 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | C55 | sing | 1.40Å | 1.40Å | Aromatic |
| C57 | C56 | sing | 1.53Å | 1.56Å | |
| C51 | C52 | doub | 1.38Å | 1.42Å | Aromatic |
| C55 | C56 | sing | 1.51Å | 1.59Å | |
| C55 | C54 | doub | 1.38Å | 1.43Å | Aromatic |
| C52 | C54 | sing | 1.39Å | 1.38Å | Aromatic |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.08Å | 1.08Å | |
| C47 | H36 | sing | 1.08Å | 1.08Å | |
| C51 | H37 | sing | 1.08Å | 1.08Å | |
| C53 | H38 | sing | 1.09Å | 1.10Å | |
| C53 | H39 | sing | 1.09Å | 1.10Å | |
| C53 | H40 | sing | 1.09Å | 1.10Å | |
| C54 | H41 | sing | 1.08Å | 1.08Å | |
| C56 | H42 | sing | 1.09Å | 1.10Å | |
| C56 | H43 | sing | 1.09Å | 1.10Å | |
| C57 | H44 | sing | 1.09Å | 1.10Å | |
| C60 | H45 | sing | 1.09Å | 1.10Å | |
| C61 | H46 | sing | 1.09Å | 1.10Å | |
| C61 | H47 | sing | 1.09Å | 1.10Å | |
| C61 | H48 | sing | 1.09Å | 1.10Å | |
| C63 | H49 | sing | 1.09Å | 1.10Å | |
| C64 | H50 | sing | 1.09Å | 1.10Å | |
| C64 | H51 | sing | 1.09Å | 1.10Å | |
| C64 | H52 | sing | 1.09Å | 1.10Å | |
| C65 | H53 | sing | 1.09Å | 1.10Å | |
| C68 | H54 | sing | 1.09Å | 1.10Å | |
| C69 | H55 | sing | 1.09Å | 1.10Å | |
| C69 | H56 | sing | 1.09Å | 1.10Å | |
| C69 | H57 | sing | 1.09Å | 1.10Å | |
| C71 | H58 | sing | 1.09Å | 1.10Å | |
| C72 | H59 | sing | 1.09Å | 1.10Å | |
| C72 | H60 | sing | 1.09Å | 1.10Å | |
| C72 | H61 | sing | 1.09Å | 1.10Å | |
| C74 | H62 | sing | 1.09Å | 1.10Å | |
| C75 | H63 | sing | 1.09Å | 1.10Å | |
| C75 | H64 | sing | 1.09Å | 1.10Å | |
| C75 | H65 | sing | 1.09Å | 1.10Å | |
| C76 | H66 | sing | 1.09Å | 1.10Å | |
| O08 | H67 | sing | 0.97Å | 0.95Å | |
| O16 | H68 | sing | 0.97Å | 0.95Å | |
| O31 | H69 | sing | 0.97Å | 0.95Å | |
| O45 | H70 | sing | 0.97Å | 0.95Å | |
| O50 | H71 | sing | 0.97Å | 0.95Å | |
| O58 | H72 | sing | 0.97Å | 0.95Å | |
| O66 | H73 | sing | 0.97Å | 0.95Å | |
| O77 | H74 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C02 | 108.3° | 109.5° |
| O08 | C07 | C06 | 108.5° | 109.5° |
| O08 | C07 | H21 | 109.4° | 109.6° |
| C07 | O08 | H67 | 109.5° | 114.0° |
| C01 | C02 | C07 | 109.2° | 109.5° |
| C01 | C02 | O03 | 109.4° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C01 | C02 | H15 | 108.3° | 109.5° |
| C02 | C07 | C06 | 113.4° | 109.2° |
| C07 | C02 | O03 | 112.9° | 109.4° |
| C07 | C02 | H15 | 107.9° | 109.5° |
| C02 | C07 | H21 | 108.0° | 109.6° |
| C07 | C06 | C05 | 113.1° | 109.0° |
| C07 | C06 | H19 | 108.6° | 109.6° |
| C07 | C06 | H20 | 108.6° | 109.7° |
| C06 | C07 | H21 | 109.0° | 109.5° |
| C02 | O03 | C04 | 112.1° | 114.1° |
| O03 | C02 | H15 | 109.0° | 109.5° |
| C06 | C05 | C04 | 111.0° | 109.2° |
| C06 | C05 | H17 | 109.1° | 109.5° |
| C06 | C05 | H18 | 109.1° | 109.6° |
| C05 | C06 | H19 | 108.6° | 109.5° |
| C05 | C06 | H20 | 108.6° | 109.5° |
| O03 | C04 | C05 | 110.8° | 109.4° |
| O03 | C04 | O09 | 110.2° | 109.5° |
| O03 | C04 | H16 | 108.8° | 109.5° |
| C05 | C04 | O09 | 109.2° | 109.5° |
| C05 | C04 | H16 | 107.8° | 109.5° |
| C04 | C05 | H17 | 109.1° | 109.5° |
| C04 | C05 | H18 | 109.1° | 109.5° |
| C04 | O09 | C10 | 114.7° | 114.0° |
| O09 | C04 | H16 | 110.0° | 109.5° |
| O77 | C76 | C74 | 107.0° | 109.5° |
| O77 | C76 | C10 | 108.9° | 109.5° |
| O77 | C76 | H66 | 109.7° | 109.6° |
| C76 | O77 | H74 | 109.5° | 114.0° |
| C75 | C74 | C76 | 108.2° | 109.5° |
| C75 | C74 | O73 | 107.2° | 109.5° |
| C75 | C74 | H62 | 109.8° | 109.5° |
| C74 | C75 | H63 | 109.5° | 109.5° |
| C74 | C75 | H64 | 109.4° | 109.5° |
| C74 | C75 | H65 | 109.5° | 109.5° |
| C74 | C76 | C10 | 114.6° | 109.1° |
| C76 | C74 | O73 | 112.6° | 109.4° |
| C76 | C74 | H62 | 109.1° | 109.5° |
| C74 | C76 | H66 | 108.1° | 109.5° |
| C76 | C10 | O09 | 111.7° | 109.6° |
| C76 | C10 | C11 | 114.2° | 109.0° |
| C76 | C10 | H1 | 108.1° | 109.6° |
| C10 | C76 | H66 | 108.4° | 109.5° |
| O09 | C10 | C11 | 105.7° | 109.5° |
| O09 | C10 | H1 | 108.5° | 109.5° |
| C74 | O73 | C12 | 113.6° | 114.1° |
| O73 | C74 | H62 | 109.9° | 109.5° |
| C10 | C11 | C12 | 115.7° | 109.2° |
| C11 | C10 | H1 | 108.4° | 109.5° |
| C10 | C11 | H22 | 107.9° | 109.5° |
| C10 | C11 | H23 | 107.9° | 109.5° |
| O73 | C12 | C11 | 113.3° | 109.4° |
| O73 | C12 | O13 | 106.1° | 109.5° |
| O73 | C12 | H24 | 108.5° | 109.5° |
| C11 | C12 | O13 | 110.9° | 109.5° |
| C12 | C11 | H22 | 107.9° | 109.5° |
| C12 | C11 | H23 | 107.9° | 109.5° |
| C11 | C12 | H24 | 107.9° | 109.4° |
| C12 | O13 | C14 | 115.8° | 114.0° |
| O13 | C12 | H24 | 109.9° | 109.5° |
| O13 | C14 | C71 | 115.5° | 109.6° |
| O13 | C14 | C15 | 107.7° | 109.5° |
| O13 | C14 | H25 | 107.5° | 109.5° |
| C71 | C14 | C15 | 111.2° | 109.2° |
| C14 | C71 | C72 | 110.9° | 109.5° |
| C14 | C71 | O70 | 113.3° | 109.4° |
| C71 | C14 | H25 | 107.1° | 109.5° |
| C14 | C71 | H58 | 108.8° | 109.4° |
| C14 | C15 | O16 | 109.2° | 109.6° |
| C14 | C15 | C17 | 109.9° | 109.1° |
| C14 | C15 | H2 | 109.2° | 109.5° |
| C15 | C14 | H25 | 107.4° | 109.5° |
| O16 | C15 | C17 | 109.1° | 109.5° |
| O16 | C15 | H2 | 109.9° | 109.5° |
| C15 | O16 | H68 | 109.5° | 114.0° |
| C72 | C71 | O70 | 105.1° | 109.5° |
| C72 | C71 | H58 | 109.1° | 109.5° |
| C71 | C72 | H59 | 109.5° | 109.5° |
| C71 | C72 | H60 | 109.5° | 109.4° |
| C71 | C72 | H61 | 109.5° | 109.5° |
| C71 | O70 | C18 | 117.4° | 114.1° |
| O70 | C71 | H58 | 109.4° | 109.5° |
| C15 | C17 | C18 | 110.8° | 109.1° |
| C17 | C15 | H2 | 109.5° | 109.5° |
| C15 | C17 | H3 | 109.1° | 109.5° |
| C15 | C17 | H4 | 109.1° | 109.5° |
| O70 | C18 | C17 | 114.6° | 109.4° |
| O70 | C18 | O19 | 111.9° | 109.5° |
| O70 | C18 | H26 | 107.1° | 109.5° |
| C17 | C18 | O19 | 107.1° | 109.5° |
| C18 | C17 | H3 | 109.1° | 109.5° |
| C18 | C17 | H4 | 109.1° | 109.5° |
| C17 | C18 | H26 | 107.2° | 109.5° |
| C18 | O19 | C20 | 113.2° | 114.0° |
| O19 | C18 | H26 | 108.8° | 109.5° |
| O19 | C20 | C21 | 108.9° | 109.5° |
| O19 | C20 | C68 | 107.8° | 109.5° |
| O19 | C20 | H5 | 109.9° | 109.5° |
| C21 | C20 | C68 | 111.9° | 109.2° |
| C20 | C21 | C22 | 112.2° | 109.1° |
| C21 | C20 | H5 | 109.5° | 109.6° |
| C20 | C21 | H6 | 108.8° | 109.5° |
| C20 | C21 | H7 | 108.8° | 109.6° |
| C20 | C68 | O67 | 113.5° | 109.4° |
| C20 | C68 | C69 | 109.2° | 109.5° |
| C68 | C20 | H5 | 108.8° | 109.5° |
| C20 | C68 | H54 | 107.9° | 109.5° |
| C21 | C22 | C23 | 112.1° | 109.1° |
| C22 | C21 | H6 | 108.8° | 109.5° |
| C22 | C21 | H7 | 108.8° | 109.5° |
| C21 | C22 | H8 | 108.8° | 109.5° |
| C21 | C22 | H9 | 108.8° | 109.5° |
| C22 | C23 | O67 | 112.5° | 109.4° |
| C22 | C23 | O24 | 107.7° | 109.4° |
| C23 | C22 | H8 | 108.8° | 109.5° |
| C23 | C22 | H9 | 108.8° | 109.6° |
| C22 | C23 | H27 | 108.4° | 109.5° |
| O67 | C68 | C69 | 109.3° | 109.5° |
| C68 | O67 | C23 | 115.1° | 114.1° |
| O67 | C68 | H54 | 108.8° | 109.5° |
| C69 | C68 | H54 | 108.1° | 109.5° |
| C68 | C69 | H55 | 109.5° | 109.5° |
| C68 | C69 | H56 | 109.5° | 109.5° |
| C68 | C69 | H57 | 109.5° | 109.5° |
| O67 | C23 | O24 | 109.7° | 109.5° |
| O67 | C23 | H27 | 108.8° | 109.5° |
| C23 | O24 | C25 | 110.9° | 114.0° |
| O24 | C23 | H27 | 109.8° | 109.5° |
| O66 | C65 | C25 | 109.0° | 109.5° |
| O66 | C65 | C63 | 108.5° | 109.5° |
| O66 | C65 | H53 | 110.8° | 109.6° |
| C65 | O66 | H73 | 109.5° | 113.9° |
| O24 | C25 | C65 | 108.9° | 109.6° |
| O24 | C25 | C26 | 108.9° | 109.5° |
| O24 | C25 | H28 | 108.8° | 109.5° |
| C25 | C65 | C63 | 109.1° | 109.1° |
| C65 | C25 | C26 | 113.1° | 109.1° |
| C65 | C25 | H28 | 108.5° | 109.6° |
| C25 | C65 | H53 | 109.9° | 109.6° |
| C65 | C63 | C64 | 108.9° | 109.5° |
| C65 | C63 | O62 | 110.7° | 109.4° |
| C65 | C63 | H49 | 108.8° | 109.5° |
| C63 | C65 | H53 | 109.5° | 109.5° |
| O31 | C30 | C32 | 109.2° | 109.5° |
| O31 | C30 | C29 | 109.6° | 109.5° |
| O31 | C30 | H31 | 109.7° | 109.6° |
| C30 | O31 | H69 | 109.5° | 114.0° |
| C25 | C26 | C27 | 118.3° | 109.2° |
| C25 | C26 | H10 | 107.2° | 109.5° |
| C25 | C26 | H11 | 107.2° | 109.6° |
| C26 | C25 | H28 | 108.7° | 109.5° |
| C64 | C63 | O62 | 109.5° | 109.5° |
| C64 | C63 | H49 | 109.4° | 109.5° |
| C63 | C64 | H50 | 109.5° | 109.5° |
| C63 | C64 | H51 | 109.5° | 109.5° |
| C63 | C64 | H52 | 109.4° | 109.5° |
| C63 | O62 | C27 | 116.3° | 114.1° |
| O62 | C63 | H49 | 109.5° | 109.5° |
| C32 | C30 | C29 | 110.1° | 109.1° |
| C30 | C32 | C33 | 110.9° | 109.2° |
| C32 | C30 | H31 | 109.3° | 109.5° |
| C30 | C32 | H32 | 109.1° | 109.5° |
| C30 | C32 | H33 | 109.1° | 109.6° |
| C30 | C29 | O28 | 109.5° | 109.6° |
| C30 | C29 | C60 | 111.2° | 109.2° |
| C30 | C29 | H30 | 108.8° | 109.5° |
| C29 | C30 | H31 | 108.9° | 109.6° |
| C26 | C27 | O28 | 108.5° | 109.5° |
| C26 | C27 | O62 | 118.0° | 109.4° |
| C27 | C26 | H10 | 107.2° | 109.5° |
| C27 | C26 | H11 | 107.2° | 109.5° |
| C26 | C27 | H29 | 106.2° | 109.4° |
| C32 | C33 | O59 | 113.5° | 109.4° |
| C32 | C33 | O34 | 110.2° | 109.5° |
| C33 | C32 | H32 | 109.1° | 109.5° |
| C33 | C32 | H33 | 109.1° | 109.5° |
| C32 | C33 | H34 | 107.2° | 109.5° |
| C27 | O28 | C29 | 109.7° | 114.0° |
| O28 | C27 | O62 | 108.7° | 109.5° |
| O28 | C27 | H29 | 108.4° | 109.5° |
| O28 | C29 | C60 | 109.8° | 109.5° |
| O28 | C29 | H30 | 108.9° | 109.5° |
| O62 | C27 | H29 | 106.6° | 109.5° |
| C29 | C60 | O59 | 113.3° | 109.4° |
| C29 | C60 | C61 | 109.2° | 109.5° |
| C60 | C29 | H30 | 108.6° | 109.5° |
| C29 | C60 | H45 | 108.0° | 109.5° |
| O59 | C33 | O34 | 109.5° | 109.5° |
| C33 | O59 | C60 | 116.0° | 114.1° |
| O59 | C33 | H34 | 107.2° | 109.4° |
| C33 | O34 | C35 | 109.1° | 117.0° |
| O34 | C33 | H34 | 109.0° | 109.5° |
| C47 | C46 | C44 | 119.9° | 120.5° |
| C46 | C47 | C35 | 120.5° | 120.6° |
| C47 | C46 | H35 | 120.0° | 119.7° |
| C46 | C47 | H36 | 119.8° | 119.7° |
| C46 | C44 | O45 | 119.8° | 120.2° |
| C46 | C44 | C43 | 120.2° | 119.6° |
| C44 | C46 | H35 | 120.1° | 119.7° |
| C47 | C35 | O34 | 118.9° | 120.2° |
| C47 | C35 | C36 | 119.6° | 119.7° |
| C35 | C47 | H36 | 119.7° | 119.7° |
| O45 | C44 | C43 | 120.0° | 120.2° |
| C44 | O45 | H70 | 109.5° | 113.9° |
| O59 | C60 | C61 | 109.7° | 109.5° |
| O59 | C60 | H45 | 108.5° | 109.5° |
| C44 | C43 | C36 | 120.1° | 119.8° |
| C44 | C43 | C41 | 119.2° | 121.2° |
| C61 | C60 | H45 | 108.1° | 109.5° |
| C60 | C61 | H46 | 109.5° | 109.4° |
| C60 | C61 | H47 | 109.4° | 109.5° |
| C60 | C61 | H48 | 109.5° | 109.5° |
| O34 | C35 | C36 | 121.5° | 120.1° |
| C35 | C36 | C43 | 119.7° | 119.7° |
| C35 | C36 | C37 | 120.8° | 121.1° |
| C36 | C43 | C41 | 120.7° | 119.0° |
| C43 | C36 | C37 | 119.5° | 119.2° |
| C43 | C41 | O42 | 118.6° | 120.6° |
| C43 | C41 | C40 | 120.7° | 118.9° |
| C36 | C37 | O38 | 121.4° | 120.3° |
| C36 | C37 | C39 | 119.9° | 119.5° |
| O42 | C41 | C40 | 120.7° | 120.6° |
| C41 | C40 | C39 | 118.2° | 120.4° |
| C41 | C40 | C48 | 122.9° | 120.1° |
| O50 | C49 | C48 | 121.7° | 120.3° |
| O50 | C49 | C51 | 118.0° | 120.3° |
| C49 | O50 | H71 | 109.5° | 114.0° |
| O38 | C37 | C39 | 118.8° | 120.2° |
| C37 | C39 | C40 | 121.0° | 120.1° |
| C37 | C39 | C57 | 119.0° | 119.6° |
| C39 | C40 | C48 | 118.9° | 119.5° |
| C40 | C39 | C57 | 120.1° | 120.3° |
| C40 | C48 | C49 | 122.7° | 120.7° |
| C40 | C48 | C55 | 118.8° | 119.3° |
| C39 | C57 | O58 | 108.8° | 109.2° |
| C39 | C57 | C56 | 111.7° | 110.7° |
| C39 | C57 | H44 | 108.5° | 109.3° |
| O58 | C57 | C56 | 108.9° | 109.2° |
| O58 | C57 | H44 | 110.6° | 109.2° |
| C57 | O58 | H72 | 109.5° | 114.0° |
| C48 | C49 | C51 | 120.3° | 119.4° |
| C49 | C48 | C55 | 118.5° | 119.9° |
| C49 | C51 | C52 | 120.5° | 120.1° |
| C49 | C51 | H37 | 119.8° | 119.9° |
| C48 | C55 | C56 | 120.8° | 119.7° |
| C48 | C55 | C54 | 121.0° | 119.8° |
| C57 | C56 | C55 | 112.1° | 110.3° |
| C57 | C56 | H42 | 108.8° | 109.3° |
| C57 | C56 | H43 | 108.8° | 109.2° |
| C56 | C57 | H44 | 108.3° | 109.2° |
| C51 | C52 | C54 | 119.6° | 120.5° |
| C51 | C52 | C53 | 120.3° | 119.8° |
| C52 | C51 | H37 | 119.8° | 119.9° |
| C56 | C55 | C54 | 118.2° | 120.5° |
| C55 | C56 | H42 | 108.8° | 109.3° |
| C55 | C56 | H43 | 108.8° | 109.3° |
| C55 | C54 | C52 | 120.1° | 120.2° |
| C55 | C54 | H41 | 119.9° | 119.9° |
| C54 | C52 | C53 | 120.1° | 119.7° |
| C52 | C54 | H41 | 119.9° | 119.9° |
| C52 | C53 | H38 | 109.5° | 109.5° |
| C52 | C53 | H39 | 109.4° | 109.5° |
| C52 | C53 | H40 | 109.4° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.6° |
| H6 | C21 | H7 | 109.4° | 109.6° |
| H8 | C22 | H9 | 109.5° | 109.6° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H17 | C05 | H18 | 109.4° | 109.6° |
| H19 | C06 | H20 | 109.4° | 109.6° |
| H22 | C11 | H23 | 109.5° | 109.6° |
| H32 | C32 | H33 | 109.4° | 109.5° |
| H38 | C53 | H39 | 109.5° | 109.4° |
| H38 | C53 | H40 | 109.5° | 109.5° |
| H39 | C53 | H40 | 109.5° | 109.5° |
| H42 | C56 | H43 | 109.5° | 109.3° |
| H46 | C61 | H47 | 109.5° | 109.5° |
| H46 | C61 | H48 | 109.4° | 109.5° |
| H47 | C61 | H48 | 109.5° | 109.5° |
| H50 | C64 | H51 | 109.5° | 109.5° |
| H50 | C64 | H52 | 109.5° | 109.5° |
| H51 | C64 | H52 | 109.5° | 109.4° |
| H55 | C69 | H56 | 109.4° | 109.5° |
| H55 | C69 | H57 | 109.5° | 109.5° |
| H56 | C69 | H57 | 109.5° | 109.4° |
| H59 | C72 | H60 | 109.5° | 109.4° |
| H59 | C72 | H61 | 109.5° | 109.5° |
| H60 | C72 | H61 | 109.5° | 109.5° |
| H63 | C75 | H64 | 109.5° | 109.5° |
| H63 | C75 | H65 | 109.5° | 109.5° |
| H64 | C75 | H65 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C02 | C01 | 44.9° | 57.5° |
| O08 | C07 | C02 | C06 | 120.6° | 119.8° |
| O08 | C07 | C02 | H21 | 118.4° | 120.2° |
| O08 | C07 | C06 | H21 | 119.1° | 120.2° |
| O08 | C07 | C02 | O03 | 166.8° | 177.5° |
| O08 | C07 | C06 | C05 | 168.3° | 176.9° |
| O08 | C07 | C02 | H15 | 72.6° | 62.5° |
| O08 | C07 | C06 | H19 | 71.1° | 57.1° |
| O08 | C07 | C06 | H20 | 47.8° | 63.2° |
| C01 | C02 | C07 | O03 | 121.9° | 120.0° |
| C01 | C02 | C07 | H15 | 117.5° | 120.0° |
| C01 | C02 | C07 | C06 | 75.7° | 62.3° |
| C01 | C02 | O03 | H15 | 118.2° | 120.0° |
| C01 | C02 | O03 | C04 | 70.7° | 58.8° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C01 | C02 | C07 | H21 | 163.3° | 177.7° |
| C02 | C07 | C06 | H21 | 120.5° | 120.0° |
| C07 | C02 | O03 | H15 | 120.0° | 120.0° |
| C02 | C07 | C06 | C05 | 47.9° | 57.0° |
| C07 | C02 | O03 | C04 | 51.1° | 61.2° |
| C07 | C02 | C01 | H12 | 180.0° | 59.9° |
| C07 | C02 | C01 | H13 | 60.0° | 60.1° |
| C07 | C02 | C01 | H14 | 60.0° | 179.9° |
| C02 | C07 | C06 | H19 | 168.4° | 62.8° |
| C02 | C07 | C06 | H20 | 72.7° | 176.9° |
| C02 | C07 | O08 | H67 | 180.0° | 180.0° |
| C06 | C07 | C02 | O03 | 46.2° | 57.6° |
| C07 | C06 | C05 | H19 | 120.6° | 119.9° |
| C07 | C06 | C05 | H20 | 120.5° | 120.0° |
| C07 | C06 | C05 | C04 | 53.4° | 57.0° |
| C06 | C07 | C02 | H15 | 166.9° | 177.6° |
| C07 | C06 | C05 | H17 | 66.8° | 176.9° |
| C07 | C06 | C05 | H18 | 173.7° | 62.9° |
| C07 | C06 | H19 | H20 | 118.3° | 120.3° |
| C06 | C07 | O08 | H67 | 56.4° | 60.3° |
| C02 | O03 | C04 | C05 | 56.9° | 61.2° |
| C02 | O03 | C04 | O09 | 177.9° | 178.8° |
| O03 | C02 | C01 | H12 | 55.9° | 60.0° |
| O03 | C02 | C01 | H13 | 64.0° | 180.0° |
| O03 | C02 | C01 | H14 | 175.9° | 60.0° |
| C02 | O03 | C04 | H16 | 61.5° | 58.8° |
| O03 | C02 | C07 | H21 | 74.8° | 62.3° |
| C06 | C05 | C04 | O03 | 57.9° | 57.6° |
| C06 | C05 | C04 | H17 | 120.2° | 119.9° |
| C06 | C05 | C04 | H18 | 120.3° | 120.0° |
| C06 | C05 | C04 | O09 | 179.4° | 177.6° |
| C06 | C05 | C04 | H16 | 61.1° | 62.4° |
| C06 | C05 | H17 | H18 | 119.3° | 120.2° |
| C05 | C06 | H19 | H20 | 118.4° | 120.1° |
| C05 | C06 | C07 | H21 | 72.6° | 62.9° |
| O03 | C04 | C05 | O09 | 121.5° | 120.0° |
| O03 | C04 | C05 | H16 | 119.0° | 120.0° |
| O03 | C04 | O09 | H16 | 119.9° | 120.1° |
| O03 | C04 | O09 | C10 | 61.6° | 65.0° |
| C04 | O03 | C02 | H15 | 171.1° | 178.8° |
| O03 | C04 | C05 | H17 | 62.4° | 177.5° |
| O03 | C04 | C05 | H18 | 178.1° | 62.3° |
| C05 | C04 | O09 | H16 | 118.2° | 120.0° |
| C05 | C04 | O09 | C10 | 176.5° | 175.0° |
| C04 | C05 | H17 | H18 | 119.3° | 120.1° |
| C04 | C05 | C06 | H19 | 174.0° | 62.9° |
| C04 | C05 | C06 | H20 | 67.1° | 177.0° |
| C04 | O09 | C10 | C76 | 38.1° | 150.4° |
| C04 | O09 | C10 | C11 | 162.9° | 90.0° |
| C04 | O09 | C10 | H1 | 81.1° | 30.2° |
| O09 | C04 | C05 | H17 | 59.2° | 62.5° |
| O09 | C04 | C05 | H18 | 60.3° | 57.6° |
| O77 | C76 | C74 | C75 | 26.1° | 57.7° |
| O77 | C76 | C74 | C10 | 120.9° | 119.9° |
| O77 | C76 | C74 | H66 | 118.1° | 120.3° |
| O77 | C76 | C10 | H66 | 119.4° | 120.2° |
| O77 | C76 | C10 | O09 | 96.8° | 177.2° |
| O77 | C76 | C74 | O73 | 92.2° | 62.3° |
| O77 | C76 | C10 | C11 | 143.3° | 62.9° |
| O77 | C76 | C10 | H1 | 22.6° | 57.0° |
| O77 | C76 | C74 | H62 | 145.5° | 177.7° |
| C75 | C74 | C76 | O73 | 118.3° | 120.0° |
| C75 | C74 | C76 | H62 | 119.4° | 120.0° |
| C75 | C74 | C76 | C10 | 147.0° | 177.6° |
| C75 | C74 | O73 | H62 | 119.3° | 120.1° |
| C75 | C74 | O73 | C12 | 178.1° | 178.8° |
| C74 | C75 | H63 | H64 | 120.0° | 120.0° |
| C74 | C75 | H63 | H65 | 120.0° | 120.0° |
| C74 | C75 | H64 | H65 | 120.0° | 120.0° |
| C75 | C74 | C76 | H66 | 92.0° | 62.5° |
| C74 | C76 | C10 | H66 | 120.8° | 119.9° |
| C74 | C76 | C10 | O09 | 143.4° | 62.9° |
| C76 | C74 | O73 | H62 | 121.8° | 120.0° |
| C74 | C76 | C10 | C11 | 23.5° | 57.0° |
| C76 | C74 | O73 | C12 | 59.2° | 61.2° |
| C74 | C76 | C10 | H1 | 97.2° | 176.9° |
| C76 | C74 | C75 | H63 | 180.0° | 179.9° |
| C76 | C74 | C75 | H64 | 60.0° | 60.0° |
| C76 | C74 | C75 | H65 | 60.0° | 59.9° |
| C74 | C76 | O77 | H74 | 180.0° | 60.1° |
| C76 | C10 | O09 | C11 | 124.8° | 119.6° |
| C76 | C10 | O09 | H1 | 119.1° | 120.2° |
| C10 | C76 | C74 | O73 | 28.7° | 57.6° |
| C76 | C10 | C11 | H1 | 120.6° | 119.9° |
| C76 | C10 | C11 | C12 | 48.5° | 57.0° |
| C76 | C10 | C11 | H22 | 169.4° | 62.9° |
| C76 | C10 | C11 | H23 | 72.4° | 176.9° |
| C10 | C76 | C74 | H62 | 93.6° | 62.4° |
| C10 | C76 | O77 | H74 | 55.6° | 179.7° |
| O09 | C10 | C11 | H1 | 116.1° | 120.1° |
| O09 | C10 | C11 | C12 | 171.8° | 63.0° |
| C10 | O09 | C04 | H16 | 58.3° | 55.0° |
| O09 | C10 | C11 | H22 | 67.3° | 177.1° |
| O09 | C10 | C11 | H23 | 50.8° | 56.9° |
| O09 | C10 | C76 | H66 | 22.6° | 57.0° |
| C74 | O73 | C12 | C11 | 34.3° | 61.2° |
| C74 | O73 | C12 | O13 | 156.3° | 178.9° |
| C74 | O73 | C12 | H24 | 85.6° | 58.8° |
| O73 | C74 | C75 | H63 | 58.3° | 60.0° |
| O73 | C74 | C75 | H64 | 178.3° | 180.0° |
| O73 | C74 | C75 | H65 | 61.7° | 60.0° |
| O73 | C74 | C76 | H66 | 149.6° | 177.5° |
| C10 | C11 | C12 | O73 | 19.0° | 57.6° |
| C10 | C11 | C12 | H22 | 120.9° | 119.9° |
| C10 | C11 | C12 | H23 | 120.9° | 119.9° |
| C10 | C11 | C12 | O13 | 100.2° | 177.6° |
| C10 | C11 | H22 | H23 | 117.1° | 120.1° |
| C10 | C11 | C12 | H24 | 139.3° | 62.4° |
| C11 | C10 | C76 | H66 | 97.3° | 176.9° |
| O73 | C12 | C11 | O13 | 119.3° | 120.0° |
| O73 | C12 | C11 | H24 | 120.2° | 120.0° |
| O73 | C12 | O13 | H24 | 117.2° | 120.1° |
| O73 | C12 | O13 | C14 | 129.9° | 70.8° |
| O73 | C12 | C11 | H22 | 140.0° | 62.3° |
| O73 | C12 | C11 | H23 | 101.9° | 177.5° |
| C12 | O73 | C74 | H62 | 62.6° | 58.8° |
| C11 | C12 | O13 | H24 | 119.3° | 120.0° |
| C11 | C12 | O13 | C14 | 106.6° | 169.3° |
| C12 | C11 | C10 | H1 | 72.1° | 176.9° |
| C12 | C11 | H22 | H23 | 117.2° | 120.2° |
| C12 | O13 | C14 | C71 | 33.1° | 112.2° |
| C12 | O13 | C14 | C15 | 91.9° | 128.1° |
| O13 | C12 | C11 | H22 | 20.7° | 57.7° |
| O13 | C12 | C11 | H23 | 138.9° | 62.5° |
| C12 | O13 | C14 | H25 | 152.7° | 7.9° |
| O13 | C14 | C71 | C15 | 123.1° | 120.0° |
| O13 | C14 | C71 | H25 | 119.8° | 120.1° |
| O13 | C14 | C15 | H25 | 115.6° | 120.2° |
| O13 | C14 | C15 | O16 | 50.6° | 63.2° |
| O13 | C14 | C71 | C72 | 70.8° | 62.4° |
| O13 | C14 | C71 | O70 | 171.3° | 177.5° |
| O13 | C14 | C15 | C17 | 170.3° | 176.9° |
| O13 | C14 | C15 | H2 | 69.6° | 57.0° |
| C14 | O13 | C12 | H24 | 12.7° | 49.3° |
| O13 | C14 | C71 | H58 | 49.3° | 57.5° |
| C71 | C14 | C15 | H25 | 116.9° | 119.9° |
| C71 | C14 | C15 | O16 | 178.1° | 176.9° |
| C14 | C71 | C72 | O70 | 122.8° | 120.0° |
| C14 | C71 | C72 | H58 | 119.9° | 120.0° |
| C14 | C71 | O70 | H58 | 121.6° | 119.9° |
| C71 | C14 | C15 | C17 | 62.2° | 56.9° |
| C14 | C71 | O70 | C18 | 35.4° | 61.1° |
| C71 | C14 | C15 | H2 | 57.9° | 62.9° |
| C14 | C71 | C72 | H59 | 180.0° | 57.2° |
| C14 | C71 | C72 | H60 | 60.0° | 177.1° |
| C14 | C71 | C72 | H61 | 60.0° | 62.9° |
| C14 | C15 | O16 | C17 | 120.2° | 119.6° |
| C14 | C15 | O16 | H2 | 119.7° | 120.2° |
| C15 | C14 | C71 | C72 | 166.1° | 177.6° |
| C15 | C14 | C71 | O70 | 48.2° | 57.5° |
| C14 | C15 | C17 | H2 | 119.9° | 119.9° |
| C14 | C15 | C17 | C18 | 61.5° | 56.9° |
| C14 | C15 | C17 | H3 | 58.7° | 62.9° |
| C14 | C15 | C17 | H4 | 178.3° | 176.8° |
| C15 | C14 | C71 | H58 | 73.8° | 62.4° |
| C14 | C15 | O16 | H68 | 180.0° | 179.6° |
| O16 | C15 | C17 | H2 | 120.3° | 120.2° |
| O16 | C15 | C17 | C18 | 178.7° | 176.9° |
| O16 | C15 | C17 | H3 | 61.0° | 57.0° |
| O16 | C15 | C17 | H4 | 58.6° | 63.2° |
| O16 | C15 | C14 | H25 | 65.0° | 57.0° |
| C72 | C71 | O70 | H58 | 117.1° | 120.0° |
| C72 | C71 | O70 | C18 | 156.6° | 178.9° |
| C72 | C71 | C14 | H25 | 49.0° | 57.7° |
| C71 | C72 | H59 | H60 | 120.0° | 119.9° |
| C71 | C72 | H59 | H61 | 120.0° | 120.0° |
| C71 | C72 | H60 | H61 | 120.0° | 120.0° |
| C71 | O70 | C18 | C17 | 35.4° | 61.2° |
| C71 | O70 | C18 | O19 | 157.5° | 178.8° |
| O70 | C71 | C14 | H25 | 68.9° | 62.4° |
| C71 | O70 | C18 | H26 | 83.4° | 58.8° |
| O70 | C71 | C72 | H59 | 57.2° | 62.8° |
| O70 | C71 | C72 | H60 | 177.2° | 57.2° |
| O70 | C71 | C72 | H61 | 62.8° | 177.2° |
| C15 | C17 | C18 | O70 | 47.7° | 57.6° |
| C15 | C17 | C18 | H3 | 120.2° | 119.9° |
| C15 | C17 | C18 | H4 | 120.2° | 119.9° |
| C15 | C17 | C18 | O19 | 172.4° | 177.6° |
| C15 | C17 | H3 | H4 | 119.4° | 120.1° |
| C17 | C15 | C14 | H25 | 54.7° | 62.9° |
| C15 | C17 | C18 | H26 | 71.0° | 62.4° |
| C17 | C15 | O16 | H68 | 59.8° | 60.0° |
| O70 | C18 | C17 | O19 | 124.7° | 120.0° |
| O70 | C18 | C17 | H26 | 118.7° | 120.0° |
| O70 | C18 | O19 | H26 | 118.1° | 120.0° |
| O70 | C18 | O19 | C20 | 8.6° | 65.0° |
| O70 | C18 | C17 | H3 | 72.5° | 62.3° |
| O70 | C18 | C17 | H4 | 167.9° | 177.5° |
| C18 | O70 | C71 | H58 | 86.3° | 58.8° |
| C17 | C18 | O19 | H26 | 115.5° | 120.0° |
| C17 | C18 | O19 | C20 | 134.9° | 175.0° |
| C18 | C17 | C15 | H2 | 58.4° | 62.9° |
| C18 | C17 | H3 | H4 | 119.4° | 120.2° |
| C18 | O19 | C20 | C21 | 94.0° | 90.0° |
| C18 | O19 | C20 | C68 | 144.3° | 150.3° |
| O19 | C18 | C17 | H3 | 52.2° | 57.7° |
| O19 | C18 | C17 | H4 | 67.4° | 62.5° |
| C18 | O19 | C20 | H5 | 25.9° | 30.2° |
| O19 | C20 | C21 | C68 | 119.1° | 119.9° |
| O19 | C20 | C21 | H5 | 120.2° | 120.2° |
| O19 | C20 | C68 | H5 | 119.1° | 120.1° |
| O19 | C20 | C21 | C22 | 173.5° | 176.9° |
| O19 | C20 | C68 | O67 | 168.4° | 177.5° |
| O19 | C20 | C68 | C69 | 46.3° | 57.5° |
| O19 | C20 | C21 | H6 | 66.1° | 63.3° |
| O19 | C20 | C21 | H7 | 53.1° | 57.0° |
| C20 | O19 | C18 | H26 | 109.5° | 55.0° |
| O19 | C20 | C68 | H54 | 70.9° | 62.5° |
| C21 | C20 | C68 | H5 | 121.1° | 119.9° |
| C20 | C21 | C22 | H6 | 120.4° | 119.9° |
| C20 | C21 | C22 | H7 | 120.4° | 119.9° |
| C20 | C21 | C22 | C23 | 56.0° | 57.0° |
| C21 | C20 | C68 | O67 | 48.7° | 57.6° |
| C21 | C20 | C68 | C69 | 73.5° | 62.4° |
| C20 | C21 | H6 | H7 | 118.8° | 120.2° |
| C20 | C21 | C22 | H8 | 64.4° | 62.9° |
| C20 | C21 | C22 | H9 | 176.3° | 176.9° |
| C21 | C20 | C68 | H54 | 169.3° | 177.6° |
| C68 | C20 | C21 | C22 | 54.4° | 57.0° |
| C20 | C68 | O67 | C69 | 122.1° | 120.0° |
| C20 | C68 | O67 | H54 | 120.1° | 120.0° |
| C20 | C68 | C69 | H54 | 117.1° | 120.0° |
| C20 | C68 | O67 | C23 | 45.3° | 61.2° |
| C68 | C20 | C21 | H6 | 174.8° | 176.9° |
| C68 | C20 | C21 | H7 | 66.0° | 62.9° |
| C20 | C68 | C69 | H55 | 180.0° | 60.0° |
| C20 | C68 | C69 | H56 | 60.0° | 180.0° |
| C20 | C68 | C69 | H57 | 60.0° | 60.0° |
| C21 | C22 | C23 | H8 | 120.4° | 119.9° |
| C21 | C22 | C23 | H9 | 120.4° | 119.9° |
| C21 | C22 | C23 | O67 | 51.1° | 57.6° |
| C21 | C22 | C23 | O24 | 172.0° | 177.6° |
| C22 | C21 | C20 | H5 | 66.3° | 62.9° |
| C22 | C21 | H6 | H7 | 118.8° | 120.2° |
| C21 | C22 | H8 | H9 | 118.8° | 120.2° |
| C21 | C22 | C23 | H27 | 69.3° | 62.5° |
| C22 | C23 | O67 | C68 | 46.3° | 61.2° |
| C22 | C23 | O67 | O24 | 119.8° | 120.0° |
| C22 | C23 | O67 | H27 | 120.1° | 120.0° |
| C22 | C23 | O24 | H27 | 117.8° | 120.0° |
| C22 | C23 | O24 | C25 | 166.9° | 175.0° |
| C23 | C22 | C21 | H6 | 176.4° | 176.8° |
| C23 | C22 | C21 | H7 | 64.5° | 62.9° |
| C23 | C22 | H8 | H9 | 118.8° | 120.2° |
| O67 | C68 | C69 | H54 | 118.2° | 120.1° |
| C68 | O67 | C23 | O24 | 166.1° | 178.8° |
| O67 | C68 | C20 | H5 | 72.4° | 62.3° |
| C68 | O67 | C23 | H27 | 73.8° | 58.8° |
| O67 | C68 | C69 | H55 | 55.3° | 179.9° |
| O67 | C68 | C69 | H56 | 64.6° | 60.1° |
| O67 | C68 | C69 | H57 | 175.3° | 59.9° |
| C69 | C68 | O67 | C23 | 76.8° | 58.8° |
| C69 | C68 | C20 | H5 | 165.4° | 177.7° |
| C68 | C69 | H55 | H56 | 120.0° | 120.0° |
| C68 | C69 | H55 | H57 | 120.0° | 120.0° |
| C68 | C69 | H56 | H57 | 120.0° | 120.0° |
| O67 | C23 | O24 | H27 | 119.5° | 120.0° |
| O67 | C23 | O24 | C25 | 44.3° | 65.1° |
| O67 | C23 | C22 | H8 | 69.3° | 62.3° |
| O67 | C23 | C22 | H9 | 171.4° | 177.5° |
| C23 | O67 | C68 | H54 | 165.4° | 178.9° |
| C23 | O24 | C25 | C65 | 106.0° | 150.4° |
| C23 | O24 | C25 | C26 | 130.3° | 90.0° |
| O24 | C23 | C22 | H8 | 51.7° | 57.7° |
| O24 | C23 | C22 | H9 | 67.6° | 62.5° |
| C23 | O24 | C25 | H28 | 12.0° | 30.2° |
| O66 | C65 | C25 | O24 | 64.9° | 63.2° |
| O66 | C65 | C25 | C63 | 118.4° | 119.9° |
| O66 | C65 | C25 | H53 | 121.6° | 120.3° |
| O66 | C65 | C63 | H53 | 121.1° | 120.2° |
| O66 | C65 | C25 | C26 | 173.9° | 176.9° |
| O66 | C65 | C63 | C64 | 53.3° | 62.5° |
| O66 | C65 | C63 | O62 | 173.7° | 177.5° |
| O66 | C65 | C25 | H28 | 53.3° | 56.9° |
| O66 | C65 | C63 | H49 | 65.8° | 57.5° |
| O24 | C25 | C65 | C26 | 121.2° | 119.9° |
| O24 | C25 | C65 | H28 | 118.2° | 120.2° |
| O24 | C25 | C65 | C63 | 176.7° | 176.9° |
| O24 | C25 | C26 | H28 | 118.3° | 120.1° |
| O24 | C25 | C26 | C27 | 137.3° | 176.9° |
| O24 | C25 | C26 | H10 | 16.1° | 57.1° |
| O24 | C25 | C26 | H11 | 101.4° | 63.1° |
| C25 | O24 | C23 | H27 | 75.3° | 55.0° |
| O24 | C25 | C65 | H53 | 56.7° | 57.0° |
| C25 | C65 | C63 | H53 | 120.3° | 119.9° |
| C65 | C25 | C26 | H28 | 120.5° | 120.0° |
| C25 | C65 | C63 | C64 | 172.0° | 177.6° |
| C25 | C65 | C63 | O62 | 67.6° | 57.6° |
| C65 | C25 | C26 | C27 | 16.2° | 57.0° |
| C65 | C25 | C26 | H10 | 105.1° | 62.9° |
| C65 | C25 | C26 | H11 | 137.4° | 177.0° |
| C25 | C65 | C63 | H49 | 52.8° | 62.4° |
| C25 | C65 | O66 | H73 | 180.0° | 180.0° |
| C63 | C65 | C25 | C26 | 55.5° | 57.0° |
| C65 | C63 | C64 | O62 | 121.1° | 120.0° |
| C65 | C63 | C64 | H49 | 118.8° | 120.0° |
| C65 | C63 | O62 | H49 | 120.0° | 120.0° |
| C65 | C63 | O62 | C27 | 37.6° | 61.2° |
| C63 | C65 | C25 | H28 | 65.1° | 62.9° |
| C65 | C63 | C64 | H50 | 180.0° | 180.0° |
| C65 | C63 | C64 | H51 | 60.0° | 60.1° |
| C65 | C63 | C64 | H52 | 60.0° | 59.9° |
| C63 | C65 | O66 | H73 | 61.3° | 60.4° |
| O31 | C30 | C32 | C29 | 120.4° | 119.9° |
| O31 | C30 | C32 | H31 | 120.0° | 120.2° |
| O31 | C30 | C29 | H31 | 120.0° | 120.3° |
| O31 | C30 | C32 | C33 | 178.8° | 176.8° |
| O31 | C30 | C29 | O28 | 57.8° | 63.2° |
| O31 | C30 | C29 | C60 | 179.3° | 176.8° |
| O31 | C30 | C29 | H30 | 61.2° | 56.9° |
| O31 | C30 | C32 | H32 | 60.9° | 56.9° |
| O31 | C30 | C32 | H33 | 58.6° | 63.2° |
| C25 | C26 | C27 | H10 | 121.3° | 119.9° |
| C25 | C26 | C27 | H11 | 121.2° | 120.0° |
| C25 | C26 | C27 | O28 | 111.0° | 177.6° |
| C25 | C26 | C27 | O62 | 13.1° | 57.6° |
| C25 | C26 | H10 | H11 | 116.0° | 120.2° |
| C25 | C26 | C27 | H29 | 132.6° | 62.4° |
| C26 | C25 | C65 | H53 | 64.5° | 62.9° |
| C64 | C63 | O62 | H49 | 120.0° | 120.0° |
| C64 | C63 | O62 | C27 | 157.7° | 178.8° |
| C63 | C64 | H50 | H51 | 120.0° | 120.0° |
| C63 | C64 | H50 | H52 | 120.0° | 120.1° |
| C63 | C64 | H51 | H52 | 120.0° | 120.0° |
| C64 | C63 | C65 | H53 | 67.8° | 57.7° |
| C63 | O62 | C27 | C26 | 1.4° | 61.1° |
| C63 | O62 | C27 | O28 | 122.6° | 178.9° |
| C63 | O62 | C27 | H29 | 120.7° | 58.8° |
| O62 | C63 | C64 | H50 | 58.8° | 60.0° |
| O62 | C63 | C64 | H51 | 178.9° | 180.0° |
| O62 | C63 | C64 | H52 | 61.1° | 60.0° |
| O62 | C63 | C65 | H53 | 52.6° | 62.3° |
| C32 | C30 | C29 | H31 | 119.8° | 119.9° |
| C30 | C32 | C33 | H32 | 120.2° | 119.9° |
| C30 | C32 | C33 | H33 | 120.2° | 120.0° |
| C32 | C30 | C29 | O28 | 178.0° | 176.9° |
| C32 | C30 | C29 | C60 | 60.5° | 57.0° |
| C30 | C32 | C33 | O59 | 10.6° | 57.6° |
| C30 | C32 | C33 | O34 | 133.9° | 177.6° |
| C32 | C30 | C29 | H30 | 59.0° | 62.9° |
| C30 | C32 | H32 | H33 | 119.4° | 120.2° |
| C30 | C32 | C33 | H34 | 107.6° | 62.4° |
| C32 | C30 | O31 | H69 | 180.0° | 60.0° |
| C29 | C30 | C32 | C33 | 60.8° | 57.0° |
| C30 | C29 | O28 | C27 | 117.9° | 124.1° |
| C30 | C29 | O28 | C60 | 122.4° | 119.7° |
| C30 | C29 | O28 | H30 | 118.9° | 120.1° |
| C30 | C29 | C60 | H30 | 119.6° | 119.9° |
| C30 | C29 | C60 | O59 | 8.9° | 57.6° |
| C30 | C29 | C60 | C61 | 131.5° | 177.6° |
| C29 | C30 | C32 | H32 | 59.5° | 63.0° |
| C29 | C30 | C32 | H33 | 179.0° | 176.9° |
| C30 | C29 | C60 | H45 | 111.2° | 62.4° |
| C29 | C30 | O31 | H69 | 59.3° | 179.6° |
| C26 | C27 | O28 | O62 | 129.5° | 120.0° |
| C26 | C27 | O28 | H29 | 115.0° | 120.0° |
| C26 | C27 | O28 | C29 | 165.4° | 169.5° |
| C26 | C27 | O62 | H29 | 119.3° | 120.0° |
| C27 | C26 | H10 | H11 | 116.0° | 120.1° |
| C27 | C26 | C25 | H28 | 104.3° | 62.9° |
| C32 | C33 | O59 | O34 | 123.7° | 120.0° |
| C32 | C33 | O59 | H34 | 118.2° | 120.0° |
| C32 | C33 | O34 | H34 | 117.3° | 120.1° |
| C32 | C33 | O59 | C60 | 40.5° | 61.1° |
| C32 | C33 | O34 | C35 | 104.8° | 175.0° |
| C33 | C32 | C30 | H31 | 58.8° | 62.9° |
| C33 | C32 | H32 | H33 | 119.3° | 120.1° |
| O28 | C27 | O62 | H29 | 116.7° | 120.0° |
| C27 | O28 | C29 | C60 | 119.8° | 116.2° |
| O28 | C27 | C26 | H10 | 10.2° | 57.7° |
| O28 | C27 | C26 | H11 | 127.7° | 62.4° |
| C27 | O28 | C29 | H30 | 1.0° | 4.0° |
| C29 | O28 | C27 | O62 | 35.9° | 70.5° |
| O28 | C29 | C60 | H30 | 119.0° | 120.1° |
| O28 | C29 | C60 | O59 | 130.3° | 177.6° |
| O28 | C29 | C60 | C61 | 107.2° | 62.4° |
| C29 | O28 | C27 | H29 | 79.7° | 49.6° |
| O28 | C29 | C30 | H31 | 62.2° | 57.0° |
| O28 | C29 | C60 | H45 | 10.2° | 57.6° |
| O62 | C27 | C26 | H10 | 134.3° | 62.3° |
| O62 | C27 | C26 | H11 | 108.2° | 177.6° |
| C27 | O62 | C63 | H49 | 82.3° | 58.8° |
| C29 | C60 | O59 | C33 | 40.8° | 61.1° |
| C29 | C60 | O59 | C61 | 122.2° | 120.0° |
| C29 | C60 | O59 | H45 | 119.9° | 120.0° |
| C29 | C60 | C61 | H45 | 117.2° | 120.1° |
| C60 | C29 | C30 | H31 | 59.3° | 62.9° |
| C29 | C60 | C61 | H46 | 180.0° | 55.9° |
| C29 | C60 | C61 | H47 | 60.0° | 175.8° |
| C29 | C60 | C61 | H48 | 60.0° | 64.1° |
| O59 | C33 | O34 | H34 | 117.0° | 120.0° |
| C33 | O59 | C60 | C61 | 81.5° | 178.9° |
| O59 | C33 | O34 | C35 | 129.6° | 65.1° |
| O59 | C33 | C32 | H32 | 109.6° | 62.4° |
| O59 | C33 | C32 | H33 | 130.8° | 177.5° |
| C33 | O59 | C60 | H45 | 160.6° | 58.9° |
| C33 | O34 | C35 | C47 | 87.8° | 0.2° |
| O34 | C33 | O59 | C60 | 83.2° | 178.9° |
| C33 | O34 | C35 | C36 | 92.3° | 180.0° |
| O34 | C33 | C32 | H32 | 13.7° | 57.7° |
| O34 | C33 | C32 | H33 | 105.8° | 62.5° |
| C47 | C46 | C44 | H35 | 180.0° | 179.5° |
| C46 | C47 | C35 | H36 | 180.0° | 179.5° |
| C47 | C46 | C44 | O45 | 179.9° | 179.8° |
| C47 | C46 | C44 | C43 | 0.0° | 0.2° |
| C46 | C47 | C35 | O34 | 179.9° | 179.7° |
| C46 | C47 | C35 | C36 | 0.1° | 0.5° |
| C44 | C46 | C47 | C35 | 0.1° | 0.6° |
| C46 | C44 | O45 | C43 | 179.9° | 179.9° |
| C46 | C44 | C43 | C36 | 0.0° | 0.2° |
| C46 | C44 | C43 | C41 | 179.9° | 179.7° |
| C44 | C46 | C47 | H36 | 179.9° | 179.9° |
| C46 | C44 | O45 | H70 | 179.9° | 90.1° |
| C47 | C35 | O34 | C36 | 180.0° | 179.8° |
| C47 | C35 | C36 | C43 | 0.1° | 0.1° |
| C47 | C35 | C36 | C37 | 180.0° | 179.9° |
| C35 | C47 | C46 | H35 | 179.9° | 179.9° |
| O45 | C44 | C43 | C36 | 180.0° | 179.7° |
| O45 | C44 | C43 | C41 | 0.0° | 0.4° |
| O45 | C44 | C46 | H35 | 0.0° | 0.3° |
| O59 | C60 | C61 | H45 | 118.1° | 120.0° |
| O59 | C60 | C29 | H30 | 110.7° | 62.3° |
| C60 | O59 | C33 | H34 | 158.6° | 58.8° |
| O59 | C60 | C61 | H46 | 55.3° | 64.1° |
| O59 | C60 | C61 | H47 | 175.3° | 55.9° |
| O59 | C60 | C61 | H48 | 64.7° | 175.9° |
| C44 | C43 | C36 | C35 | 0.1° | 0.2° |
| C44 | C43 | C36 | C41 | 179.9° | 179.8° |
| C44 | C43 | C36 | C37 | 180.0° | 179.7° |
| C44 | C43 | C41 | O42 | 0.1° | 14.0° |
| C44 | C43 | C41 | C40 | 179.7° | 166.0° |
| C43 | C44 | C46 | H35 | 180.0° | 179.7° |
| C43 | C44 | O45 | H70 | 0.0° | 90.0° |
| C61 | C60 | C29 | H30 | 11.8° | 57.7° |
| C60 | C61 | H46 | H47 | 120.0° | 120.0° |
| C60 | C61 | H46 | H48 | 120.0° | 120.0° |
| C60 | C61 | H47 | H48 | 120.0° | 120.0° |
| O34 | C35 | C36 | C43 | 179.9° | 179.9° |
| O34 | C35 | C36 | C37 | 0.0° | 0.1° |
| C35 | O34 | C33 | H34 | 12.5° | 54.9° |
| O34 | C35 | C47 | H36 | 0.1° | 0.2° |
| C35 | C36 | C43 | C37 | 179.9° | 180.0° |
| C35 | C36 | C43 | C41 | 180.0° | 179.6° |
| C35 | C36 | C37 | O38 | 0.2° | 13.8° |
| C35 | C36 | C37 | C39 | 179.9° | 166.3° |
| C36 | C35 | C47 | H36 | 179.8° | 179.9° |
| C36 | C43 | C41 | O42 | 180.0° | 166.1° |
| C36 | C43 | C41 | C40 | 0.3° | 13.9° |
| C43 | C36 | C37 | O38 | 179.9° | 166.2° |
| C43 | C36 | C37 | C39 | 0.0° | 13.7° |
| C41 | C43 | C36 | C37 | 0.1° | 0.4° |
| C43 | C41 | O42 | C40 | 179.7° | 180.0° |
| C43 | C41 | C40 | C39 | 0.4° | 15.4° |
| C43 | C41 | C40 | C48 | 179.9° | 164.3° |
| C36 | C37 | O38 | C39 | 179.9° | 179.9° |
| C36 | C37 | C39 | C40 | 0.1° | 12.5° |
| C36 | C37 | C39 | C57 | 179.9° | 168.7° |
| O42 | C41 | C40 | C39 | 179.9° | 164.6° |
| O42 | C41 | C40 | C48 | 0.4° | 15.7° |
| C41 | C40 | C39 | C37 | 0.3° | 2.1° |
| C41 | C40 | C39 | C48 | 179.5° | 179.7° |
| C41 | C40 | C39 | C57 | 179.7° | 176.7° |
| C41 | C40 | C48 | C49 | 18.0° | 16.3° |
| C41 | C40 | C48 | C55 | 161.9° | 163.9° |
| O50 | C49 | C48 | C40 | 0.0° | 0.6° |
| O50 | C49 | C48 | C51 | 180.0° | 179.9° |
| O50 | C49 | C48 | C55 | 179.9° | 179.5° |
| O50 | C49 | C51 | C52 | 179.9° | 180.0° |
| O50 | C49 | C51 | H37 | 0.1° | 0.0° |
| O38 | C37 | C39 | C40 | 180.0° | 167.4° |
| O38 | C37 | C39 | C57 | 0.0° | 11.4° |
| C37 | C39 | C40 | C57 | 180.0° | 178.7° |
| C37 | C39 | C40 | C48 | 179.8° | 177.6° |
| C37 | C39 | C57 | O58 | 92.7° | 95.7° |
| C37 | C39 | C57 | C56 | 147.1° | 144.0° |
| C37 | C39 | C57 | H44 | 27.8° | 23.7° |
| C40 | C39 | C57 | O58 | 87.3° | 83.0° |
| C39 | C40 | C48 | C49 | 162.5° | 164.0° |
| C39 | C40 | C48 | C55 | 17.6° | 15.8° |
| C40 | C39 | C57 | C56 | 32.9° | 37.3° |
| C40 | C39 | C57 | H44 | 152.2° | 157.6° |
| C48 | C40 | C39 | C57 | 0.2° | 3.6° |
| C40 | C48 | C49 | C55 | 179.9° | 179.8° |
| C40 | C48 | C49 | C51 | 180.0° | 179.5° |
| C40 | C48 | C55 | C56 | 0.4° | 1.4° |
| C40 | C48 | C55 | C54 | 179.8° | 179.2° |
| C39 | C57 | O58 | C56 | 121.9° | 121.2° |
| C39 | C57 | O58 | H44 | 119.1° | 119.4° |
| C39 | C57 | C56 | H44 | 119.4° | 120.4° |
| C39 | C57 | C56 | C55 | 47.3° | 50.4° |
| C39 | C57 | C56 | H42 | 167.6° | 69.8° |
| C39 | C57 | C56 | H43 | 73.1° | 170.6° |
| C39 | C57 | O58 | H72 | 180.0° | 180.0° |
| O58 | C57 | C56 | H44 | 120.4° | 119.3° |
| O58 | C57 | C56 | C55 | 72.9° | 69.9° |
| O58 | C57 | C56 | H42 | 47.4° | 169.9° |
| O58 | C57 | C56 | H43 | 166.7° | 50.3° |
| C48 | C49 | C51 | C52 | 0.0° | 0.1° |
| C49 | C48 | C55 | C56 | 179.7° | 178.8° |
| C49 | C48 | C55 | C54 | 0.3° | 0.7° |
| C48 | C49 | C51 | H37 | 180.0° | 179.9° |
| C48 | C49 | O50 | H71 | 20.7° | 90.1° |
| C51 | C49 | C48 | C55 | 0.1° | 0.4° |
| C49 | C51 | C52 | H37 | 180.0° | 180.0° |
| C49 | C51 | C52 | C54 | 0.0° | 0.3° |
| C49 | C51 | C52 | C53 | 180.0° | 179.7° |
| C51 | C49 | O50 | H71 | 159.4° | 90.0° |
| C48 | C55 | C56 | C57 | 32.6° | 34.6° |
| C48 | C55 | C56 | C54 | 179.5° | 179.4° |
| C48 | C55 | C54 | C52 | 0.3° | 0.5° |
| C48 | C55 | C54 | H41 | 179.7° | 179.5° |
| C48 | C55 | C56 | H42 | 153.0° | 85.6° |
| C48 | C55 | C56 | H43 | 87.8° | 154.7° |
| C57 | C56 | C55 | H42 | 120.4° | 120.3° |
| C57 | C56 | C55 | H43 | 120.4° | 120.1° |
| C57 | C56 | C55 | C54 | 146.8° | 145.9° |
| C57 | C56 | H42 | H43 | 118.8° | 119.5° |
| C56 | C57 | O58 | H72 | 58.1° | 58.8° |
| C51 | C52 | C54 | C55 | 0.2° | 0.0° |
| C51 | C52 | C54 | C53 | 180.0° | 180.0° |
| C51 | C52 | C53 | H38 | 90.0° | 90.0° |
| C51 | C52 | C53 | H39 | 150.0° | 150.0° |
| C51 | C52 | C53 | H40 | 30.0° | 30.0° |
| C51 | C52 | C54 | H41 | 179.8° | 180.0° |
| C56 | C55 | C54 | C52 | 179.8° | 178.9° |
| C56 | C55 | C54 | H41 | 0.2° | 1.1° |
| C55 | C56 | H42 | H43 | 118.8° | 119.6° |
| C55 | C56 | C57 | H44 | 166.7° | 170.8° |
| C55 | C54 | C52 | H41 | 180.0° | 180.0° |
| C55 | C54 | C52 | C53 | 179.8° | 180.0° |
| C54 | C55 | C56 | H42 | 26.5° | 93.8° |
| C54 | C55 | C56 | H43 | 92.8° | 25.9° |
| C54 | C52 | C51 | H37 | 180.0° | 179.7° |
| C54 | C52 | C53 | H38 | 90.0° | 90.0° |
| C54 | C52 | C53 | H39 | 30.0° | 30.0° |
| C54 | C52 | C53 | H40 | 150.0° | 150.1° |
| C53 | C52 | C51 | H37 | 0.0° | 0.3° |
| C52 | C53 | H38 | H39 | 120.0° | 120.0° |
| C52 | C53 | H38 | H40 | 120.0° | 120.0° |
| C52 | C53 | H39 | H40 | 120.0° | 120.0° |
| C53 | C52 | C54 | H41 | 0.2° | 0.0° |
| H1 | C10 | C11 | H22 | 48.8° | 57.0° |
| H1 | C10 | C11 | H23 | 167.0° | 63.2° |
| H1 | C10 | C76 | H66 | 142.0° | 63.3° |
| H2 | C15 | C17 | H3 | 178.6° | 177.2° |
| H2 | C15 | C17 | H4 | 61.8° | 57.0° |
| H2 | C15 | C14 | H25 | 174.8° | 177.2° |
| H2 | C15 | O16 | H68 | 60.3° | 60.2° |
| H3 | C17 | C18 | H26 | 168.8° | 177.7° |
| H4 | C17 | C18 | H26 | 49.2° | 57.5° |
| H5 | C20 | C21 | H6 | 54.1° | 56.9° |
| H5 | C20 | C21 | H7 | 173.3° | 177.2° |
| H5 | C20 | C68 | H54 | 48.2° | 57.6° |
| H6 | C21 | C22 | H8 | 56.0° | 57.0° |
| H6 | C21 | C22 | H9 | 63.2° | 63.2° |
| H7 | C21 | C22 | H8 | 175.2° | 177.2° |
| H7 | C21 | C22 | H9 | 55.9° | 57.0° |
| H8 | C22 | C23 | H27 | 170.3° | 177.7° |
| H9 | C22 | C23 | H27 | 51.1° | 57.5° |
| H10 | C26 | C25 | H28 | 134.4° | 177.2° |
| H10 | C26 | C27 | H29 | 106.2° | 177.7° |
| H11 | C26 | C25 | H28 | 16.9° | 57.0° |
| H11 | C26 | C27 | H29 | 11.4° | 57.6° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H12 | C01 | C02 | H15 | 62.8° | 180.0° |
| H13 | C01 | C02 | H15 | 177.2° | 60.0° |
| H14 | C01 | C02 | H15 | 57.2° | 60.1° |
| H15 | C02 | C07 | H21 | 45.8° | 57.7° |
| H16 | C04 | C05 | H17 | 178.7° | 57.5° |
| H16 | C04 | C05 | H18 | 59.2° | 177.6° |
| H17 | C05 | C06 | H19 | 53.7° | 57.0° |
| H17 | C05 | C06 | H20 | 172.7° | 63.1° |
| H18 | C05 | C06 | H19 | 65.8° | 177.2° |
| H18 | C05 | C06 | H20 | 53.1° | 57.0° |
| H19 | C06 | C07 | H21 | 48.0° | 177.2° |
| H20 | C06 | C07 | H21 | 166.9° | 57.0° |
| H21 | C07 | O08 | H67 | 62.5° | 59.8° |
| H22 | C11 | C12 | H24 | 99.8° | 177.7° |
| H23 | C11 | C12 | H24 | 18.4° | 57.5° |
| H25 | C14 | C71 | H58 | 169.1° | 177.7° |
| H28 | C25 | C65 | H53 | 174.9° | 177.2° |
| H30 | C29 | C30 | H31 | 178.9° | 177.2° |
| H30 | C29 | C60 | H45 | 129.2° | 177.8° |
| H31 | C30 | C32 | H32 | 179.1° | 177.1° |
| H31 | C30 | C32 | H33 | 61.4° | 57.0° |
| H31 | C30 | O31 | H69 | 60.2° | 60.1° |
| H32 | C32 | C33 | H34 | 132.2° | 177.7° |
| H33 | C32 | C33 | H34 | 12.6° | 57.6° |
| H35 | C46 | C47 | H36 | 0.1° | 0.4° |
| H38 | C53 | H39 | H40 | 120.0° | 120.0° |
| H42 | C56 | C57 | H44 | 73.0° | 50.5° |
| H43 | C56 | C57 | H44 | 46.3° | 69.1° |
| H44 | C57 | O58 | H72 | 60.9° | 60.6° |
| H45 | C60 | C61 | H46 | 62.8° | 175.9° |
| H45 | C60 | C61 | H47 | 57.2° | 64.1° |
| H45 | C60 | C61 | H48 | 177.2° | 55.9° |
| H46 | C61 | H47 | H48 | 120.0° | 120.0° |
| H49 | C63 | C64 | H50 | 61.2° | 60.0° |
| H49 | C63 | C64 | H51 | 58.8° | 60.0° |
| H49 | C63 | C64 | H52 | 178.8° | 179.9° |
| H49 | C63 | C65 | H53 | 173.1° | 177.7° |
| H50 | C64 | H51 | H52 | 120.0° | 120.0° |
| H53 | C65 | O66 | H73 | 59.0° | 59.8° |
| H54 | C68 | C69 | H55 | 62.9° | 60.0° |
| H54 | C68 | C69 | H56 | 177.1° | 60.0° |
| H54 | C68 | C69 | H57 | 57.1° | 180.0° |
| H55 | C69 | H56 | H57 | 120.0° | 120.0° |
| H58 | C71 | C72 | H59 | 60.1° | 177.2° |
| H58 | C71 | C72 | H60 | 59.9° | 62.9° |
| H58 | C71 | C72 | H61 | 179.9° | 57.1° |
| H59 | C72 | H60 | H61 | 120.0° | 120.0° |
| H62 | C74 | C75 | H63 | 61.0° | 60.1° |
| H62 | C74 | C75 | H64 | 59.0° | 60.0° |
| H62 | C74 | C75 | H65 | 179.0° | 179.9° |
| H62 | C74 | C76 | H66 | 27.4° | 57.5° |
| H63 | C75 | H64 | H65 | 120.0° | 120.0° |
| H66 | C76 | O77 | H74 | 62.9° | 60.2° |
