6NO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C06 | sing | 1.74Å | 1.73Å | |
| O01 | C01 | sing | 1.36Å | 1.36Å | |
| C01 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| CL2 | C02 | sing | 1.74Å | 1.76Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C08 | sing | 1.51Å | 1.39Å | |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | O03 | sing | 1.36Å | 1.36Å | |
| C04 | C09 | sing | 1.47Å | 1.40Å | |
| O03 | C07 | sing | 1.43Å | 1.44Å | |
| C09 | O09 | doub | 1.22Å | 1.23Å | |
| C09 | O13 | sing | 1.35Å | 1.37Å | |
| O13 | C13 | sing | 1.45Å | 1.45Å | |
| O12 | C12 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | O14 | sing | 1.43Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O14 | C10 | sing | 1.43Å | 1.45Å | |
| C10 | O19 | sing | 1.43Å | 1.47Å | |
| O19 | C19 | sing | 1.43Å | 1.46Å | |
| O18 | C18 | sing | 1.43Å | 1.45Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | O20 | sing | 1.43Å | 1.44Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| O20 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | O24 | sing | 1.44Å | 1.47Å | |
| C16 | O25 | sing | 1.45Å | 1.48Å | |
| O24 | C24 | sing | 1.42Å | 1.43Å | |
| O25 | C25 | sing | 1.43Å | 1.44Å | |
| C24 | C25 | sing | 1.56Å | 1.50Å | |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.52Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | O26 | sing | 1.44Å | 1.46Å | |
| C22 | O26 | sing | 1.42Å | 1.47Å | |
| C22 | O31 | sing | 1.43Å | 1.46Å | |
| C34 | O32 | sing | 1.43Å | 1.43Å | |
| O31 | C31 | sing | 1.43Å | 1.44Å | |
| O32 | C32 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O30 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | O33 | sing | 1.43Å | 1.45Å | |
| C29 | O33 | sing | 1.43Å | 1.45Å | |
| C29 | O39 | sing | 1.43Å | 1.45Å | |
| O39 | C39 | sing | 1.43Å | 1.44Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C38 | O38 | sing | 1.43Å | 1.45Å | |
| C41 | O37 | sing | 1.43Å | 1.44Å | |
| C37 | O37 | sing | 1.43Å | 1.43Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | O40 | sing | 1.43Å | 1.45Å | |
| C42 | O42 | sing | 1.43Å | 1.43Å | |
| O40 | C36 | sing | 1.43Å | 1.46Å | |
| C36 | O44 | sing | 1.43Å | 1.49Å | |
| C43 | O42 | sing | 1.43Å | 1.44Å | |
| O48 | C44 | sing | 1.42Å | 1.47Å | |
| O48 | C48 | sing | 1.44Å | 1.44Å | |
| O44 | C44 | sing | 1.43Å | 1.47Å | |
| C44 | C45 | sing | 1.54Å | 1.54Å | |
| C48 | C47 | sing | 1.52Å | 1.50Å | |
| C45 | O45 | sing | 1.45Å | 1.44Å | |
| C45 | C46 | sing | 1.52Å | 1.51Å | |
| C73 | C72 | sing | 1.53Å | 1.53Å | |
| O45 | C71 | sing | 1.34Å | 1.36Å | |
| C47 | C46 | sing | 1.56Å | 1.48Å | |
| C47 | O47 | sing | 1.43Å | 1.42Å | |
| C46 | O46 | sing | 1.42Å | 1.44Å | |
| O47 | C49 | sing | 1.45Å | 1.47Å | |
| C71 | C72 | sing | 1.51Å | 1.53Å | |
| C71 | O71 | doub | 1.21Å | 1.23Å | |
| C72 | C74 | sing | 1.53Å | 1.53Å | |
| O46 | C49 | sing | 1.44Å | 1.48Å | |
| C49 | O53 | sing | 1.43Å | 1.47Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| O53 | C53 | sing | 1.42Å | 1.46Å | |
| O50 | C50 | sing | 1.43Å | 1.43Å | |
| O50 | C54 | sing | 1.45Å | 1.47Å | |
| C50 | C51 | sing | 1.56Å | 1.48Å | |
| C53 | C77 | sing | 1.53Å | 1.53Å | |
| C53 | C52 | sing | 1.54Å | 1.53Å | |
| C54 | O51 | sing | 1.45Å | 1.47Å | |
| C51 | C52 | sing | 1.52Å | 1.51Å | |
| C51 | O51 | sing | 1.42Å | 1.42Å | |
| C52 | O52 | sing | 1.43Å | 1.43Å | |
| C52 | C75 | sing | 1.51Å | 1.52Å | |
| C75 | O75 | doub | 1.21Å | 1.23Å | |
| C75 | C76 | sing | 1.51Å | 1.53Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| O18 | H21 | sing | 0.97Å | 0.95Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| O30 | H40 | sing | 0.97Å | 0.95Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| O38 | H53 | sing | 0.97Å | 0.95Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C43 | H62 | sing | 1.09Å | 1.10Å | |
| C43 | H63 | sing | 1.09Å | 1.10Å | |
| C44 | H64 | sing | 1.09Å | 1.10Å | |
| C45 | H65 | sing | 1.09Å | 1.10Å | |
| C46 | H66 | sing | 1.09Å | 1.10Å | |
| C47 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C48 | H69 | sing | 1.09Å | 1.10Å | |
| C50 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| O52 | H72 | sing | 0.97Å | 0.95Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| C72 | H76 | sing | 1.09Å | 1.10Å | |
| C73 | H77 | sing | 1.09Å | 1.10Å | |
| C73 | H78 | sing | 1.09Å | 1.10Å | |
| C73 | H79 | sing | 1.09Å | 1.10Å | |
| C74 | H80 | sing | 1.09Å | 1.10Å | |
| C74 | H81 | sing | 1.09Å | 1.10Å | |
| C74 | H82 | sing | 1.09Å | 1.10Å | |
| C76 | H83 | sing | 1.09Å | 1.10Å | |
| C76 | H84 | sing | 1.09Å | 1.10Å | |
| C76 | H85 | sing | 1.09Å | 1.10Å | |
| C77 | H86 | sing | 1.09Å | 1.10Å | |
| C77 | H87 | sing | 1.09Å | 1.10Å | |
| C77 | H88 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C06 | C01 | 119.8° | 119.8° |
| CL1 | C06 | C05 | 120.6° | 119.9° |
| O01 | C01 | C06 | 118.8° | 119.9° |
| O01 | C01 | C02 | 119.3° | 119.9° |
| C01 | O01 | H1 | 109.5° | 114.0° |
| C06 | C01 | C02 | 122.0° | 120.2° |
| C01 | C06 | C05 | 119.6° | 120.3° |
| C01 | C02 | CL2 | 120.3° | 120.0° |
| C01 | C02 | C03 | 117.4° | 120.0° |
| C06 | C05 | C08 | 117.3° | 120.0° |
| C06 | C05 | C04 | 120.3° | 120.0° |
| CL2 | C02 | C03 | 122.3° | 120.0° |
| C02 | C03 | C04 | 122.7° | 119.8° |
| C02 | C03 | O03 | 118.6° | 120.1° |
| C08 | C05 | C04 | 122.4° | 120.0° |
| C05 | C08 | H5 | 109.5° | 109.5° |
| C05 | C08 | H6 | 109.5° | 109.4° |
| C05 | C08 | H7 | 109.5° | 109.5° |
| C05 | C04 | C03 | 118.1° | 119.7° |
| C05 | C04 | C09 | 122.9° | 120.2° |
| C04 | C03 | O03 | 118.6° | 120.1° |
| C03 | C04 | C09 | 119.0° | 120.1° |
| C03 | O03 | C07 | 109.3° | 117.0° |
| C04 | C09 | O09 | 122.1° | 120.0° |
| C04 | C09 | O13 | 114.7° | 120.0° |
| O03 | C07 | H2 | 109.5° | 109.4° |
| O03 | C07 | H3 | 109.5° | 109.4° |
| O03 | C07 | H4 | 109.4° | 109.5° |
| O09 | C09 | O13 | 123.2° | 120.0° |
| C09 | O13 | C13 | 111.8° | 117.0° |
| O13 | C13 | C12 | 111.2° | 109.6° |
| O13 | C13 | C14 | 111.3° | 109.5° |
| O13 | C13 | H13 | 109.8° | 109.5° |
| O12 | C12 | C13 | 110.5° | 109.6° |
| O12 | C12 | C11 | 109.1° | 109.5° |
| O12 | C12 | H11 | 110.3° | 109.5° |
| C12 | O12 | H12 | 109.5° | 114.0° |
| C12 | C13 | C14 | 107.1° | 109.2° |
| C13 | C12 | C11 | 108.5° | 109.1° |
| C13 | C12 | H11 | 109.1° | 109.5° |
| C12 | C13 | H13 | 108.8° | 109.6° |
| C13 | C14 | C15 | 110.9° | 109.5° |
| C13 | C14 | O14 | 109.3° | 109.4° |
| C14 | C13 | H13 | 108.7° | 109.5° |
| C13 | C14 | H14 | 108.8° | 109.5° |
| C12 | C11 | C10 | 111.7° | 109.1° |
| C12 | C11 | H9 | 108.9° | 109.5° |
| C12 | C11 | H10 | 108.9° | 109.6° |
| C11 | C12 | H11 | 109.3° | 109.6° |
| C15 | C14 | O14 | 109.0° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C14 | O14 | C10 | 112.5° | 114.1° |
| O14 | C14 | H14 | 109.9° | 109.5° |
| C11 | C10 | O14 | 110.5° | 109.4° |
| C11 | C10 | O19 | 107.6° | 109.5° |
| C11 | C10 | H8 | 108.0° | 109.5° |
| C10 | C11 | H9 | 108.9° | 109.5° |
| C10 | C11 | H10 | 108.9° | 109.5° |
| O14 | C10 | O19 | 113.0° | 109.5° |
| O14 | C10 | H8 | 109.0° | 109.5° |
| C10 | O19 | C19 | 117.3° | 114.0° |
| O19 | C10 | H8 | 108.7° | 109.4° |
| O19 | C19 | C18 | 109.6° | 109.5° |
| O19 | C19 | C20 | 110.1° | 109.5° |
| O19 | C19 | H22 | 110.3° | 109.6° |
| O18 | C18 | C19 | 111.1° | 109.6° |
| O18 | C18 | C17 | 109.7° | 109.5° |
| O18 | C18 | H20 | 109.5° | 109.6° |
| C18 | O18 | H21 | 109.5° | 114.0° |
| C18 | C19 | C20 | 108.4° | 109.2° |
| C19 | C18 | C17 | 109.7° | 109.0° |
| C19 | C18 | H20 | 108.4° | 109.5° |
| C18 | C19 | H22 | 109.3° | 109.5° |
| C19 | C20 | C21 | 111.4° | 109.5° |
| C19 | C20 | O20 | 111.0° | 109.4° |
| C20 | C19 | H22 | 109.2° | 109.5° |
| C19 | C20 | H23 | 108.0° | 109.5° |
| C18 | C17 | C16 | 107.8° | 109.2° |
| C18 | C17 | H18 | 109.9° | 109.6° |
| C18 | C17 | H19 | 109.9° | 109.6° |
| C17 | C18 | H20 | 108.5° | 109.5° |
| C21 | C20 | O20 | 109.1° | 109.5° |
| C21 | C20 | H23 | 108.1° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| C20 | O20 | C16 | 109.2° | 114.1° |
| O20 | C20 | H23 | 109.2° | 109.5° |
| C17 | C16 | O20 | 109.3° | 110.3° |
| C17 | C16 | O24 | 108.4° | 109.4° |
| C17 | C16 | O25 | 112.0° | 109.3° |
| C16 | C17 | H18 | 109.9° | 109.5° |
| C16 | C17 | H19 | 109.9° | 109.5° |
| O20 | C16 | O24 | 110.6° | 109.6° |
| O20 | C16 | O25 | 110.0° | 109.4° |
| O24 | C16 | O25 | 106.3° | 108.8° |
| C16 | O24 | C24 | 102.0° | 105.4° |
| C16 | O25 | C25 | 101.4° | 103.0° |
| O24 | C24 | C25 | 98.5° | 101.6° |
| O24 | C24 | C27 | 112.5° | 109.9° |
| O24 | C24 | C23 | 114.5° | 118.4° |
| O25 | C25 | C24 | 99.1° | 100.2° |
| O25 | C25 | C26 | 114.3° | 117.4° |
| O25 | C25 | H30 | 112.4° | 111.1° |
| C25 | C24 | C27 | 110.7° | 109.9° |
| C25 | C24 | C23 | 109.8° | 106.6° |
| C24 | C25 | C26 | 107.7° | 106.5° |
| C24 | C25 | H30 | 111.5° | 110.6° |
| C27 | C24 | C23 | 110.3° | 109.9° |
| C24 | C27 | H32 | 109.5° | 109.5° |
| C24 | C27 | H33 | 109.4° | 109.4° |
| C24 | C27 | H34 | 109.5° | 109.5° |
| C24 | C23 | C22 | 108.9° | 107.4° |
| C24 | C23 | H28 | 109.6° | 110.0° |
| C24 | C23 | H29 | 109.6° | 109.6° |
| C25 | C26 | C28 | 109.8° | 109.9° |
| C25 | C26 | O26 | 108.0° | 106.9° |
| C26 | C25 | H30 | 111.2° | 110.4° |
| C25 | C26 | H31 | 109.0° | 110.0° |
| C23 | C22 | O26 | 110.5° | 111.7° |
| C23 | C22 | O31 | 107.5° | 109.1° |
| C23 | C22 | H27 | 108.3° | 108.7° |
| C22 | C23 | H28 | 109.6° | 109.9° |
| C22 | C23 | H29 | 109.6° | 109.9° |
| C28 | C26 | O26 | 111.4° | 110.0° |
| C28 | C26 | H31 | 108.8° | 110.0° |
| C26 | C28 | H35 | 109.5° | 109.5° |
| C26 | C28 | H36 | 109.5° | 109.5° |
| C26 | C28 | H37 | 109.5° | 109.5° |
| C26 | O26 | C22 | 113.6° | 116.7° |
| O26 | C26 | H31 | 109.8° | 110.0° |
| O26 | C22 | O31 | 112.2° | 109.1° |
| O26 | C22 | H27 | 109.0° | 109.1° |
| C22 | O31 | C31 | 112.7° | 114.0° |
| O31 | C22 | H27 | 109.2° | 109.1° |
| C34 | O32 | C32 | 110.6° | 114.0° |
| O32 | C34 | H44 | 109.5° | 109.4° |
| O32 | C34 | H45 | 109.5° | 109.5° |
| O32 | C34 | H46 | 109.5° | 109.4° |
| O31 | C31 | C32 | 111.2° | 109.6° |
| O31 | C31 | C30 | 111.0° | 109.6° |
| O31 | C31 | H41 | 110.0° | 109.6° |
| O32 | C32 | C31 | 108.9° | 109.5° |
| O32 | C32 | C33 | 108.5° | 109.5° |
| O32 | C32 | H42 | 111.0° | 109.6° |
| C32 | C31 | C30 | 106.7° | 109.1° |
| C31 | C32 | C33 | 108.7° | 109.2° |
| C32 | C31 | H41 | 109.0° | 109.5° |
| C31 | C32 | H42 | 109.9° | 109.5° |
| C31 | C30 | O30 | 109.3° | 109.6° |
| C31 | C30 | C29 | 107.6° | 109.2° |
| C31 | C30 | H39 | 109.4° | 109.5° |
| C30 | C31 | H41 | 108.9° | 109.5° |
| C32 | C33 | C35 | 108.8° | 109.5° |
| C32 | C33 | O33 | 110.2° | 109.4° |
| C33 | C32 | H42 | 109.8° | 109.6° |
| C32 | C33 | H43 | 109.1° | 109.5° |
| O30 | C30 | C29 | 110.8° | 109.5° |
| O30 | C30 | H39 | 110.7° | 109.5° |
| C30 | O30 | H40 | 109.5° | 114.0° |
| C30 | C29 | O33 | 109.2° | 109.4° |
| C30 | C29 | O39 | 110.1° | 109.5° |
| C30 | C29 | H38 | 106.8° | 109.5° |
| C29 | C30 | H39 | 109.0° | 109.5° |
| C35 | C33 | O33 | 109.5° | 109.5° |
| C35 | C33 | H43 | 109.1° | 109.5° |
| C33 | C35 | H47 | 109.5° | 109.5° |
| C33 | C35 | H48 | 109.5° | 109.5° |
| C33 | C35 | H49 | 109.5° | 109.4° |
| C33 | O33 | C29 | 110.3° | 114.1° |
| O33 | C33 | H43 | 110.1° | 109.4° |
| O33 | C29 | O39 | 114.7° | 109.5° |
| O33 | C29 | H38 | 107.9° | 109.5° |
| C29 | O39 | C39 | 118.5° | 114.0° |
| O39 | C29 | H38 | 107.9° | 109.5° |
| O39 | C39 | C38 | 103.3° | 109.5° |
| O39 | C39 | C40 | 110.3° | 109.5° |
| O39 | C39 | H54 | 111.5° | 109.6° |
| C38 | C39 | C40 | 111.3° | 109.2° |
| C39 | C38 | C37 | 105.3° | 109.0° |
| C39 | C38 | O38 | 113.5° | 109.5° |
| C39 | C38 | H52 | 108.7° | 109.6° |
| C38 | C39 | H54 | 110.4° | 109.5° |
| C39 | C40 | C42 | 114.1° | 109.5° |
| C39 | C40 | O40 | 111.4° | 109.4° |
| C40 | C39 | H54 | 109.9° | 109.5° |
| C39 | C40 | H55 | 107.0° | 109.5° |
| C37 | C38 | O38 | 111.1° | 109.5° |
| C38 | C37 | O37 | 113.0° | 109.5° |
| C38 | C37 | C36 | 108.0° | 109.2° |
| C38 | C37 | H51 | 107.7° | 109.6° |
| C37 | C38 | H52 | 108.5° | 109.5° |
| O38 | C38 | H52 | 109.5° | 109.6° |
| C38 | O38 | H53 | 109.5° | 114.0° |
| C41 | O37 | C37 | 106.4° | 114.0° |
| O37 | C41 | H56 | 109.5° | 109.5° |
| O37 | C41 | H57 | 109.5° | 109.5° |
| O37 | C41 | H58 | 109.5° | 109.5° |
| O37 | C37 | C36 | 111.6° | 109.5° |
| O37 | C37 | H51 | 108.8° | 109.5° |
| C37 | C36 | O40 | 105.9° | 109.4° |
| C37 | C36 | O44 | 110.5° | 109.5° |
| C37 | C36 | H50 | 106.0° | 109.5° |
| C36 | C37 | H51 | 107.6° | 109.5° |
| C42 | C40 | O40 | 108.6° | 109.5° |
| C40 | C42 | O42 | 108.1° | 109.5° |
| C42 | C40 | H55 | 107.3° | 109.4° |
| C40 | C42 | H59 | 109.8° | 109.5° |
| C40 | C42 | H60 | 109.8° | 109.4° |
| C40 | O40 | C36 | 116.7° | 114.1° |
| O40 | C40 | H55 | 108.2° | 109.5° |
| C42 | O42 | C43 | 111.4° | 114.0° |
| O42 | C42 | H59 | 109.8° | 109.5° |
| O42 | C42 | H60 | 109.8° | 109.5° |
| O40 | C36 | O44 | 120.2° | 109.5° |
| O40 | C36 | H50 | 106.8° | 109.5° |
| C36 | O44 | C44 | 103.8° | 114.0° |
| O44 | C36 | H50 | 106.5° | 109.5° |
| O42 | C43 | H61 | 109.5° | 109.5° |
| O42 | C43 | H62 | 109.5° | 109.5° |
| O42 | C43 | H63 | 109.5° | 109.5° |
| C44 | O48 | C48 | 114.0° | 116.7° |
| O48 | C44 | O44 | 115.5° | 109.0° |
| O48 | C44 | C45 | 109.0° | 111.7° |
| O48 | C44 | H64 | 106.0° | 109.0° |
| O48 | C48 | C47 | 109.4° | 106.9° |
| O48 | C48 | H68 | 109.5° | 110.0° |
| O48 | C48 | H69 | 109.5° | 110.1° |
| O44 | C44 | C45 | 114.4° | 109.0° |
| O44 | C44 | H64 | 105.9° | 109.0° |
| C44 | C45 | O45 | 107.0° | 109.9° |
| C44 | C45 | C46 | 108.8° | 106.9° |
| C45 | C44 | H64 | 105.2° | 109.0° |
| C44 | C45 | H65 | 110.3° | 110.0° |
| C48 | C47 | C46 | 106.9° | 106.5° |
| C48 | C47 | O47 | 112.9° | 117.3° |
| C48 | C47 | H67 | 112.6° | 111.1° |
| C47 | C48 | H68 | 109.5° | 110.0° |
| C47 | C48 | H69 | 109.5° | 109.9° |
| O45 | C45 | C46 | 108.2° | 109.9° |
| C45 | O45 | C71 | 116.2° | 117.0° |
| O45 | C45 | H65 | 111.8° | 109.9° |
| C45 | C46 | C47 | 107.6° | 106.6° |
| C45 | C46 | O46 | 113.8° | 118.2° |
| C46 | C45 | H65 | 110.7° | 110.1° |
| C45 | C46 | H66 | 111.3° | 109.8° |
| C73 | C72 | C71 | 108.8° | 109.5° |
| C73 | C72 | C74 | 109.6° | 109.5° |
| C73 | C72 | H76 | 109.4° | 109.5° |
| C72 | C73 | H77 | 109.5° | 109.4° |
| C72 | C73 | H78 | 109.4° | 109.5° |
| C72 | C73 | H79 | 109.5° | 109.4° |
| O45 | C71 | C72 | 113.4° | 120.0° |
| O45 | C71 | O71 | 125.0° | 120.0° |
| C46 | C47 | O47 | 96.5° | 100.2° |
| C47 | C46 | O46 | 99.1° | 101.8° |
| C47 | C46 | H66 | 111.8° | 110.1° |
| C46 | C47 | H67 | 112.8° | 110.6° |
| C47 | O47 | C49 | 100.1° | 103.0° |
| O47 | C47 | H67 | 113.9° | 110.4° |
| C46 | O46 | C49 | 102.5° | 105.3° |
| O46 | C46 | H66 | 112.4° | 109.8° |
| O47 | C49 | O46 | 104.7° | 109.0° |
| O47 | C49 | O53 | 112.5° | 109.3° |
| O47 | C49 | C50 | 111.0° | 110.3° |
| C72 | C71 | O71 | 121.6° | 120.0° |
| C71 | C72 | C74 | 110.3° | 109.5° |
| C71 | C72 | H76 | 109.4° | 109.4° |
| C74 | C72 | H76 | 109.4° | 109.5° |
| C72 | C74 | H80 | 109.5° | 109.5° |
| C72 | C74 | H81 | 109.5° | 109.5° |
| C72 | C74 | H82 | 109.5° | 109.5° |
| O46 | C49 | O53 | 109.1° | 109.5° |
| O46 | C49 | C50 | 111.4° | 110.6° |
| O53 | C49 | C50 | 108.3° | 108.0° |
| C49 | O53 | C53 | 112.3° | 116.7° |
| C49 | C50 | O50 | 114.1° | 117.8° |
| C49 | C50 | C51 | 108.5° | 106.6° |
| C49 | C50 | H70 | 111.0° | 110.2° |
| O53 | C53 | C77 | 109.5° | 109.1° |
| O53 | C53 | C52 | 110.4° | 111.7° |
| O53 | C53 | H73 | 109.6° | 108.9° |
| C50 | O50 | C54 | 101.7° | 103.1° |
| O50 | C50 | C51 | 98.2° | 100.2° |
| O50 | C50 | H70 | 112.5° | 110.9° |
| O50 | C54 | O51 | 106.0° | 108.5° |
| O50 | C54 | H74 | 110.4° | 109.7° |
| O50 | C54 | H75 | 110.3° | 109.6° |
| C50 | C51 | C52 | 109.0° | 106.6° |
| C50 | C51 | O51 | 99.0° | 101.7° |
| C51 | C50 | H70 | 111.8° | 110.4° |
| C50 | C51 | H71 | 111.5° | 109.8° |
| C77 | C53 | C52 | 110.1° | 109.1° |
| C77 | C53 | H73 | 108.6° | 109.0° |
| C53 | C77 | H86 | 109.5° | 109.5° |
| C53 | C77 | H87 | 109.4° | 109.4° |
| C53 | C77 | H88 | 109.5° | 109.5° |
| C53 | C52 | C51 | 107.4° | 107.1° |
| C53 | C52 | O52 | 109.7° | 109.9° |
| C53 | C52 | C75 | 111.6° | 110.0° |
| C52 | C53 | H73 | 108.6° | 109.0° |
| C54 | O51 | C51 | 101.0° | 105.6° |
| O51 | C54 | H74 | 110.3° | 109.7° |
| O51 | C54 | H75 | 110.4° | 109.7° |
| C52 | C51 | O51 | 113.4° | 118.3° |
| C51 | C52 | O52 | 110.6° | 109.9° |
| C51 | C52 | C75 | 108.1° | 109.9° |
| C52 | C51 | H71 | 110.9° | 109.8° |
| O51 | C51 | H71 | 112.3° | 110.1° |
| O52 | C52 | C75 | 109.4° | 109.9° |
| C52 | O52 | H72 | 109.5° | 114.0° |
| C52 | C75 | O75 | 121.9° | 120.0° |
| C52 | C75 | C76 | 115.6° | 120.0° |
| O75 | C75 | C76 | 122.4° | 119.9° |
| C75 | C76 | H83 | 109.5° | 109.5° |
| C75 | C76 | H84 | 109.5° | 109.5° |
| C75 | C76 | H85 | 109.4° | 109.5° |
| H2 | C07 | H3 | 109.5° | 109.5° |
| H2 | C07 | H4 | 109.5° | 109.5° |
| H3 | C07 | H4 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.5° | 109.5° |
| H5 | C08 | H7 | 109.4° | 109.5° |
| H6 | C08 | H7 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.4° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.9° |
| H32 | C27 | H33 | 109.4° | 109.5° |
| H32 | C27 | H34 | 109.4° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.4° |
| H35 | C28 | H36 | 109.5° | 109.4° |
| H35 | C28 | H37 | 109.5° | 109.6° |
| H36 | C28 | H37 | 109.5° | 109.4° |
| H44 | C34 | H45 | 109.5° | 109.5° |
| H44 | C34 | H46 | 109.5° | 109.5° |
| H45 | C34 | H46 | 109.5° | 109.5° |
| H47 | C35 | H48 | 109.5° | 109.5° |
| H47 | C35 | H49 | 109.4° | 109.5° |
| H48 | C35 | H49 | 109.5° | 109.4° |
| H56 | C41 | H57 | 109.5° | 109.5° |
| H56 | C41 | H58 | 109.5° | 109.5° |
| H57 | C41 | H58 | 109.5° | 109.4° |
| H59 | C42 | H60 | 109.5° | 109.4° |
| H61 | C43 | H62 | 109.5° | 109.5° |
| H61 | C43 | H63 | 109.5° | 109.4° |
| H62 | C43 | H63 | 109.5° | 109.4° |
| H68 | C48 | H69 | 109.5° | 110.0° |
| H74 | C54 | H75 | 109.5° | 109.6° |
| H77 | C73 | H78 | 109.5° | 109.5° |
| H77 | C73 | H79 | 109.5° | 109.5° |
| H78 | C73 | H79 | 109.5° | 109.5° |
| H80 | C74 | H81 | 109.4° | 109.4° |
| H80 | C74 | H82 | 109.5° | 109.5° |
| H81 | C74 | H82 | 109.5° | 109.5° |
| H83 | C76 | H84 | 109.5° | 109.5° |
| H83 | C76 | H85 | 109.5° | 109.4° |
| H84 | C76 | H85 | 109.5° | 109.4° |
| H86 | C77 | H87 | 109.5° | 109.5° |
| H86 | C77 | H88 | 109.4° | 109.5° |
| H87 | C77 | H88 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C06 | C01 | O01 | 0.1° | 0.3° |
| CL1 | C06 | C01 | C05 | 179.9° | 180.0° |
| CL1 | C06 | C01 | C02 | 179.9° | 180.0° |
| CL1 | C06 | C05 | C08 | 0.4° | 0.0° |
| CL1 | C06 | C05 | C04 | 179.9° | 179.9° |
| O01 | C01 | C06 | C02 | 180.0° | 179.7° |
| O01 | C01 | C06 | C05 | 180.0° | 179.7° |
| O01 | C01 | C02 | CL2 | 0.2° | 0.3° |
| O01 | C01 | C02 | C03 | 179.9° | 179.7° |
| C06 | C01 | C02 | CL2 | 179.7° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.0° |
| C01 | C06 | C05 | C08 | 179.7° | 180.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C06 | C01 | O01 | H1 | 180.0° | 90.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | CL2 | C03 | 179.6° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | O03 | 179.8° | 180.0° |
| C02 | C01 | O01 | H1 | 0.0° | 89.7° |
| C06 | C05 | C08 | C04 | 179.7° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | C09 | 179.6° | 180.0° |
| C06 | C05 | C08 | H5 | 89.8° | 90.0° |
| C06 | C05 | C08 | H6 | 150.1° | 30.0° |
| C06 | C05 | C08 | H7 | 30.2° | 150.0° |
| CL2 | C02 | C03 | C04 | 179.9° | 180.0° |
| CL2 | C02 | C03 | O03 | 0.6° | 0.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | O03 | 179.5° | 180.0° |
| C02 | C03 | C04 | C09 | 179.8° | 180.0° |
| C02 | C03 | O03 | C07 | 79.0° | 90.0° |
| C08 | C05 | C04 | C03 | 179.6° | 180.0° |
| C08 | C05 | C04 | C09 | 0.1° | 0.0° |
| C05 | C08 | H5 | H6 | 120.0° | 120.0° |
| C05 | C08 | H5 | H7 | 120.0° | 120.0° |
| C05 | C08 | H6 | H7 | 120.0° | 120.0° |
| C05 | C04 | C03 | C09 | 179.5° | 180.0° |
| C05 | C04 | C03 | O03 | 179.9° | 180.0° |
| C05 | C04 | C09 | O09 | 49.9° | 90.0° |
| C05 | C04 | C09 | O13 | 130.8° | 89.9° |
| C04 | C05 | C08 | H5 | 89.9° | 90.0° |
| C04 | C05 | C08 | H6 | 30.2° | 150.0° |
| C04 | C05 | C08 | H7 | 150.1° | 30.0° |
| C04 | C03 | O03 | C07 | 100.5° | 89.9° |
| C03 | C04 | C09 | O09 | 130.7° | 90.0° |
| C03 | C04 | C09 | O13 | 48.6° | 90.0° |
| O03 | C03 | C04 | C09 | 0.7° | 0.0° |
| C03 | O03 | C07 | H2 | 180.0° | 180.0° |
| C03 | O03 | C07 | H3 | 60.0° | 60.1° |
| C03 | O03 | C07 | H4 | 60.0° | 60.0° |
| C04 | C09 | O09 | O13 | 179.2° | 180.0° |
| C04 | C09 | O13 | C13 | 167.0° | 180.0° |
| O03 | C07 | H2 | H3 | 120.0° | 119.9° |
| O03 | C07 | H2 | H4 | 120.0° | 120.0° |
| O03 | C07 | H3 | H4 | 120.0° | 120.0° |
| O09 | C09 | O13 | C13 | 12.3° | 0.0° |
| C09 | O13 | C13 | C12 | 89.8° | 150.0° |
| C09 | O13 | C13 | C14 | 150.9° | 90.3° |
| C09 | O13 | C13 | H13 | 30.6° | 29.8° |
| O13 | C13 | C12 | O12 | 58.4° | 63.2° |
| O13 | C13 | C12 | C14 | 121.7° | 119.9° |
| O13 | C13 | C12 | H13 | 121.0° | 120.2° |
| O13 | C13 | C14 | H13 | 121.0° | 120.1° |
| O13 | C13 | C12 | C11 | 178.0° | 176.9° |
| O13 | C13 | C14 | C15 | 54.6° | 62.5° |
| O13 | C13 | C14 | O14 | 174.7° | 177.5° |
| O13 | C13 | C12 | H11 | 63.1° | 57.0° |
| O13 | C13 | C14 | H14 | 65.2° | 57.6° |
| O12 | C12 | C13 | C11 | 119.6° | 119.9° |
| O12 | C12 | C13 | H11 | 121.5° | 120.1° |
| O12 | C12 | C13 | C14 | 179.8° | 176.9° |
| O12 | C12 | C11 | H11 | 120.7° | 120.2° |
| O12 | C12 | C11 | C10 | 176.6° | 176.9° |
| O12 | C12 | C11 | H9 | 56.3° | 63.2° |
| O12 | C12 | C11 | H10 | 63.1° | 57.0° |
| O12 | C12 | C13 | H13 | 62.6° | 57.0° |
| C12 | C13 | C14 | H13 | 117.3° | 120.0° |
| C13 | C12 | C11 | H11 | 118.9° | 119.9° |
| C12 | C13 | C14 | C15 | 176.2° | 177.6° |
| C12 | C13 | C14 | O14 | 63.6° | 57.6° |
| C13 | C12 | C11 | C10 | 56.2° | 57.0° |
| C13 | C12 | C11 | H9 | 64.2° | 176.9° |
| C13 | C12 | C11 | H10 | 176.5° | 62.9° |
| C13 | C12 | O12 | H12 | 2.4° | 179.6° |
| C12 | C13 | C14 | H14 | 56.4° | 62.4° |
| C14 | C13 | C12 | C11 | 60.3° | 57.0° |
| C13 | C14 | C15 | O14 | 120.3° | 119.9° |
| C13 | C14 | C15 | H14 | 119.7° | 120.1° |
| C13 | C14 | O14 | H14 | 119.4° | 120.0° |
| C13 | C14 | O14 | C10 | 62.6° | 61.1° |
| C14 | C13 | C12 | H11 | 58.7° | 62.9° |
| C13 | C14 | C15 | H15 | 180.0° | 60.0° |
| C13 | C14 | C15 | H16 | 60.0° | 179.9° |
| C13 | C14 | C15 | H17 | 60.0° | 60.0° |
| C12 | C11 | C10 | H9 | 120.3° | 119.9° |
| C12 | C11 | C10 | H10 | 120.3° | 120.0° |
| C12 | C11 | C10 | O14 | 53.0° | 57.6° |
| C12 | C11 | C10 | O19 | 176.7° | 177.6° |
| C12 | C11 | C10 | H8 | 66.1° | 62.4° |
| C12 | C11 | H9 | H10 | 119.0° | 120.3° |
| C11 | C12 | O12 | H12 | 116.8° | 60.0° |
| C11 | C12 | C13 | H13 | 57.0° | 62.9° |
| C15 | C14 | O14 | H14 | 119.3° | 120.1° |
| C15 | C14 | O14 | C10 | 176.0° | 178.9° |
| C15 | C14 | C13 | H13 | 66.5° | 57.6° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C14 | O14 | C10 | C11 | 56.3° | 61.1° |
| C14 | O14 | C10 | O19 | 176.8° | 178.8° |
| C14 | O14 | C10 | H8 | 62.2° | 58.9° |
| O14 | C14 | C13 | H13 | 53.7° | 62.4° |
| O14 | C14 | C15 | H15 | 59.7° | 59.9° |
| O14 | C14 | C15 | H16 | 179.7° | 60.0° |
| O14 | C14 | C15 | H17 | 60.3° | 179.9° |
| C11 | C10 | O14 | O19 | 120.6° | 120.0° |
| C11 | C10 | O14 | H8 | 118.5° | 120.0° |
| C11 | C10 | O19 | H8 | 116.7° | 120.0° |
| C11 | C10 | O19 | C19 | 161.7° | 169.7° |
| C10 | C11 | H9 | H10 | 119.0° | 120.1° |
| C10 | C11 | C12 | H11 | 62.7° | 62.9° |
| O14 | C10 | O19 | H8 | 121.1° | 120.0° |
| O14 | C10 | O19 | C19 | 39.5° | 70.3° |
| O14 | C10 | C11 | H9 | 67.3° | 177.5° |
| O14 | C10 | C11 | H10 | 173.3° | 62.4° |
| C10 | O14 | C14 | H14 | 56.7° | 58.9° |
| C10 | O19 | C19 | C18 | 124.4° | 132.4° |
| C10 | O19 | C19 | C20 | 116.5° | 107.9° |
| O19 | C10 | C11 | H9 | 56.4° | 62.5° |
| O19 | C10 | C11 | H10 | 63.0° | 57.6° |
| C10 | O19 | C19 | H22 | 4.1° | 12.2° |
| O19 | C19 | C18 | O18 | 64.0° | 62.9° |
| O19 | C19 | C18 | C20 | 120.2° | 119.9° |
| O19 | C19 | C18 | H22 | 120.9° | 120.2° |
| O19 | C19 | C20 | H22 | 121.2° | 120.1° |
| O19 | C19 | C18 | C17 | 174.6° | 177.2° |
| O19 | C19 | C20 | C21 | 61.5° | 62.2° |
| O19 | C19 | C20 | O20 | 176.7° | 177.9° |
| C19 | O19 | C10 | H8 | 81.7° | 49.7° |
| O19 | C19 | C18 | H20 | 56.3° | 57.4° |
| O19 | C19 | C20 | H23 | 57.0° | 57.9° |
| O18 | C18 | C19 | C17 | 121.4° | 119.9° |
| O18 | C18 | C19 | H20 | 120.3° | 120.3° |
| O18 | C18 | C19 | C20 | 175.8° | 177.2° |
| O18 | C18 | C17 | H20 | 119.6° | 120.2° |
| O18 | C18 | C17 | C16 | 179.9° | 176.4° |
| O18 | C18 | C17 | H18 | 60.4° | 63.7° |
| O18 | C18 | C17 | H19 | 60.2° | 56.5° |
| O18 | C18 | C19 | H22 | 56.9° | 57.3° |
| C18 | C19 | C20 | H22 | 118.9° | 119.9° |
| C19 | C18 | C17 | H20 | 118.2° | 119.8° |
| C18 | C19 | C20 | C21 | 178.6° | 177.9° |
| C18 | C19 | C20 | O20 | 56.9° | 57.9° |
| C19 | C18 | C17 | C16 | 57.9° | 56.4° |
| C19 | C18 | C17 | H18 | 61.9° | 176.3° |
| C19 | C18 | C17 | H19 | 177.6° | 63.5° |
| C19 | C18 | O18 | H21 | 180.0° | 179.5° |
| C18 | C19 | C20 | H23 | 62.8° | 62.1° |
| C20 | C19 | C18 | C17 | 54.4° | 57.2° |
| C19 | C20 | C21 | O20 | 122.8° | 119.9° |
| C19 | C20 | C21 | H23 | 118.5° | 120.0° |
| C19 | C20 | O20 | H23 | 119.0° | 120.0° |
| C19 | C20 | O20 | C16 | 63.3° | 60.5° |
| C20 | C19 | C18 | H20 | 63.8° | 62.6° |
| C19 | C20 | C21 | H24 | 180.0° | 55.3° |
| C19 | C20 | C21 | H25 | 60.0° | 175.4° |
| C19 | C20 | C21 | H26 | 60.0° | 64.6° |
| C18 | C17 | C16 | H18 | 119.8° | 119.9° |
| C18 | C17 | C16 | H19 | 119.7° | 119.9° |
| C18 | C17 | C16 | O20 | 63.7° | 56.7° |
| C18 | C17 | C16 | O24 | 57.0° | 63.9° |
| C18 | C17 | C16 | O25 | 174.1° | 177.0° |
| C18 | C17 | H18 | H19 | 120.8° | 120.2° |
| C17 | C18 | O18 | H21 | 58.6° | 59.9° |
| C17 | C18 | C19 | H22 | 64.5° | 62.7° |
| C21 | C20 | O20 | H23 | 117.9° | 120.0° |
| C21 | C20 | O20 | C16 | 173.6° | 179.5° |
| C21 | C20 | C19 | H22 | 59.7° | 58.0° |
| C20 | C21 | H24 | H25 | 120.0° | 120.0° |
| C20 | C21 | H24 | H26 | 120.0° | 120.0° |
| C20 | C21 | H25 | H26 | 120.0° | 120.0° |
| C20 | O20 | C16 | C17 | 66.5° | 60.2° |
| C20 | O20 | C16 | O24 | 52.9° | 60.4° |
| C20 | O20 | C16 | O25 | 170.1° | 179.6° |
| O20 | C20 | C19 | H22 | 62.1° | 62.0° |
| O20 | C20 | C21 | H24 | 57.2° | 64.6° |
| O20 | C20 | C21 | H25 | 177.2° | 55.5° |
| O20 | C20 | C21 | H26 | 62.9° | 175.4° |
| C17 | C16 | O20 | O24 | 119.3° | 120.5° |
| C17 | C16 | O20 | O25 | 123.4° | 120.2° |
| C17 | C16 | O24 | O25 | 120.7° | 119.3° |
| C17 | C16 | O24 | C24 | 139.9° | 124.1° |
| C17 | C16 | O25 | C25 | 101.9° | 94.7° |
| C16 | C17 | H18 | H19 | 120.8° | 120.1° |
| C16 | C17 | C18 | H20 | 60.3° | 63.4° |
| O20 | C16 | O24 | O25 | 119.5° | 119.6° |
| O20 | C16 | O24 | C24 | 100.3° | 114.9° |
| O20 | C16 | O25 | C25 | 136.3° | 144.4° |
| O20 | C16 | C17 | H18 | 56.1° | 176.6° |
| O20 | C16 | C17 | H19 | 176.6° | 63.3° |
| C16 | O20 | C20 | H23 | 55.7° | 59.4° |
| O24 | C16 | O25 | C25 | 16.5° | 24.7° |
| C16 | O24 | C24 | C25 | 45.7° | 29.5° |
| C16 | O24 | C24 | C27 | 71.0° | 86.8° |
| C16 | O24 | C24 | C23 | 162.1° | 145.9° |
| O24 | C16 | C17 | H18 | 176.8° | 56.0° |
| O24 | C16 | C17 | H19 | 62.7° | 176.1° |
| O25 | C16 | O24 | C24 | 19.2° | 4.7° |
| C16 | O25 | C25 | C24 | 43.9° | 41.2° |
| C16 | O25 | C25 | C26 | 158.1° | 155.9° |
| O25 | C16 | C17 | H18 | 66.2° | 63.0° |
| O25 | C16 | C17 | H19 | 54.4° | 57.1° |
| C16 | O25 | C25 | H30 | 73.9° | 75.7° |
| O24 | C24 | C25 | O25 | 57.2° | 44.7° |
| O24 | C24 | C25 | C27 | 118.0° | 116.3° |
| O24 | C24 | C25 | C23 | 119.9° | 124.7° |
| O24 | C24 | C27 | C23 | 129.1° | 132.0° |
| O24 | C24 | C25 | C26 | 176.4° | 167.5° |
| O24 | C24 | C23 | C22 | 168.2° | 175.2° |
| O24 | C24 | C23 | H28 | 48.3° | 65.2° |
| O24 | C24 | C23 | H29 | 71.9° | 55.8° |
| O24 | C24 | C25 | H30 | 61.4° | 72.5° |
| O24 | C24 | C27 | H32 | 180.0° | 171.0° |
| O24 | C24 | C27 | H33 | 60.0° | 68.9° |
| O24 | C24 | C27 | H34 | 60.0° | 51.0° |
| O25 | C25 | C24 | C26 | 119.2° | 122.8° |
| O25 | C25 | C24 | H30 | 118.5° | 117.2° |
| O25 | C25 | C24 | C27 | 60.8° | 71.6° |
| O25 | C25 | C24 | C23 | 177.1° | 169.4° |
| O25 | C25 | C26 | H30 | 128.6° | 128.7° |
| O25 | C25 | C26 | C28 | 66.5° | 66.5° |
| O25 | C25 | C26 | O26 | 171.9° | 174.2° |
| O25 | C25 | C26 | H31 | 52.6° | 54.8° |
| C25 | C24 | C27 | C23 | 121.8° | 117.0° |
| C24 | C25 | C26 | H30 | 122.4° | 120.1° |
| C25 | C24 | C23 | C22 | 58.6° | 61.5° |
| C24 | C25 | C26 | C28 | 175.6° | 177.7° |
| C24 | C25 | C26 | O26 | 62.8° | 63.0° |
| C25 | C24 | C23 | H28 | 61.3° | 178.8° |
| C25 | C24 | C23 | H29 | 178.5° | 57.9° |
| C24 | C25 | C26 | H31 | 56.4° | 56.4° |
| C25 | C24 | C27 | H32 | 70.9° | 60.0° |
| C25 | C24 | C27 | H33 | 169.1° | 180.0° |
| C25 | C24 | C27 | H34 | 49.1° | 60.1° |
| C27 | C24 | C25 | C26 | 58.4° | 51.2° |
| C27 | C24 | C23 | C22 | 63.7° | 57.5° |
| C27 | C24 | C23 | H28 | 176.4° | 62.2° |
| C27 | C24 | C23 | H29 | 56.2° | 176.9° |
| C27 | C24 | C25 | H30 | 179.4° | 171.2° |
| C24 | C27 | H32 | H33 | 120.0° | 120.0° |
| C24 | C27 | H32 | H34 | 120.0° | 120.1° |
| C24 | C27 | H33 | H34 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 63.7° | 67.9° |
| C24 | C23 | C22 | H28 | 119.9° | 119.7° |
| C24 | C23 | C22 | H29 | 119.9° | 119.2° |
| C24 | C23 | C22 | O26 | 53.0° | 54.2° |
| C24 | C23 | C22 | O31 | 175.8° | 174.8° |
| C24 | C23 | C22 | H27 | 66.3° | 66.3° |
| C24 | C23 | H28 | H29 | 120.3° | 120.8° |
| C23 | C24 | C25 | H30 | 58.6° | 52.1° |
| C23 | C24 | C27 | H32 | 50.9° | 57.0° |
| C23 | C24 | C27 | H33 | 69.1° | 63.1° |
| C23 | C24 | C27 | H34 | 170.9° | 177.0° |
| C25 | C26 | C28 | O26 | 119.6° | 117.4° |
| C25 | C26 | C28 | H31 | 119.3° | 121.2° |
| C25 | C26 | O26 | H31 | 118.7° | 119.4° |
| C25 | C26 | O26 | C22 | 60.4° | 58.4° |
| C25 | C26 | C28 | H35 | 180.0° | 60.0° |
| C25 | C26 | C28 | H36 | 60.0° | 180.0° |
| C25 | C26 | C28 | H37 | 60.0° | 60.1° |
| C23 | C22 | O26 | C26 | 56.0° | 54.3° |
| C23 | C22 | O26 | O31 | 120.0° | 120.7° |
| C23 | C22 | O26 | H27 | 118.9° | 120.3° |
| C23 | C22 | O31 | H27 | 117.2° | 118.7° |
| C23 | C22 | O31 | C31 | 171.6° | 172.7° |
| C22 | C23 | H28 | H29 | 120.2° | 121.1° |
| C28 | C26 | O26 | H31 | 120.6° | 121.3° |
| C28 | C26 | O26 | C22 | 179.0° | 177.7° |
| C28 | C26 | C25 | H30 | 62.0° | 62.2° |
| C26 | C28 | H35 | H36 | 120.0° | 120.0° |
| C26 | C28 | H35 | H37 | 120.0° | 120.0° |
| C26 | C28 | H36 | H37 | 120.0° | 120.0° |
| C26 | O26 | C22 | O31 | 176.0° | 175.0° |
| C26 | O26 | C22 | H27 | 62.9° | 65.9° |
| O26 | C26 | C25 | H30 | 59.6° | 57.1° |
| O26 | C26 | C28 | H35 | 60.4° | 57.4° |
| O26 | C26 | C28 | H36 | 179.5° | 62.6° |
| O26 | C26 | C28 | H37 | 59.6° | 177.5° |
| O26 | C22 | O31 | H27 | 121.0° | 119.0° |
| O26 | C22 | O31 | C31 | 49.8° | 65.0° |
| O26 | C22 | C23 | H28 | 66.9° | 173.8° |
| O26 | C22 | C23 | H29 | 173.0° | 65.1° |
| C22 | O26 | C26 | H31 | 58.4° | 61.0° |
| C22 | O31 | C31 | C32 | 83.7° | 150.0° |
| C22 | O31 | C31 | C30 | 157.7° | 90.4° |
| O31 | C22 | C23 | H28 | 55.9° | 65.5° |
| O31 | C22 | C23 | H29 | 64.2° | 55.6° |
| C22 | O31 | C31 | H41 | 37.1° | 29.8° |
| C34 | O32 | C32 | C31 | 79.5° | 96.6° |
| C34 | O32 | C32 | C33 | 162.3° | 143.7° |
| C34 | O32 | C32 | H42 | 41.6° | 23.5° |
| O32 | C34 | H44 | H45 | 120.0° | 120.0° |
| O32 | C34 | H44 | H46 | 120.0° | 119.9° |
| O32 | C34 | H45 | H46 | 120.0° | 120.0° |
| O31 | C31 | C32 | O32 | 64.7° | 57.0° |
| O31 | C31 | C32 | C30 | 121.2° | 119.9° |
| O31 | C31 | C32 | H41 | 121.4° | 120.3° |
| O31 | C31 | C30 | H41 | 121.2° | 120.2° |
| O31 | C31 | C32 | C33 | 177.2° | 176.9° |
| O31 | C31 | C30 | O30 | 56.4° | 63.2° |
| O31 | C31 | C30 | C29 | 176.8° | 176.9° |
| C31 | O31 | C22 | H27 | 71.2° | 54.0° |
| O31 | C31 | C30 | H39 | 64.9° | 56.9° |
| O31 | C31 | C32 | H42 | 57.0° | 63.2° |
| O32 | C32 | C31 | C33 | 118.1° | 119.9° |
| O32 | C32 | C31 | H42 | 121.7° | 120.1° |
| O32 | C32 | C31 | C30 | 56.5° | 63.0° |
| O32 | C32 | C33 | H42 | 121.4° | 120.3° |
| O32 | C32 | C33 | C35 | 63.1° | 57.7° |
| O32 | C32 | C33 | O33 | 57.0° | 62.3° |
| O32 | C32 | C31 | H41 | 173.9° | 177.2° |
| O32 | C32 | C33 | H43 | 178.0° | 177.8° |
| C32 | O32 | C34 | H44 | 180.0° | 174.7° |
| C32 | O32 | C34 | H45 | 60.0° | 54.7° |
| C32 | O32 | C34 | H46 | 60.0° | 65.4° |
| C32 | C31 | C30 | H41 | 117.5° | 119.8° |
| C31 | C32 | C33 | H42 | 120.2° | 119.9° |
| C32 | C31 | C30 | O30 | 177.6° | 176.9° |
| C32 | C31 | C30 | C29 | 62.0° | 56.9° |
| C31 | C32 | C33 | C35 | 178.6° | 177.6° |
| C31 | C32 | C33 | O33 | 61.3° | 57.6° |
| C32 | C31 | C30 | H39 | 56.4° | 63.0° |
| C31 | C32 | C33 | H43 | 59.7° | 62.4° |
| C30 | C31 | C32 | C33 | 61.6° | 56.9° |
| C31 | C30 | O30 | C29 | 118.4° | 119.7° |
| C31 | C30 | O30 | H39 | 120.5° | 120.1° |
| C31 | C30 | C29 | H39 | 118.5° | 119.9° |
| C31 | C30 | C29 | O33 | 62.4° | 57.6° |
| C31 | C30 | C29 | O39 | 170.9° | 177.6° |
| C31 | C30 | C29 | H38 | 54.1° | 62.4° |
| C31 | C30 | O30 | H40 | 180.0° | 179.7° |
| C30 | C31 | C32 | H42 | 178.2° | 176.9° |
| C32 | C33 | C35 | O33 | 120.5° | 120.0° |
| C32 | C33 | C35 | H43 | 119.0° | 120.1° |
| C32 | C33 | O33 | H43 | 120.4° | 120.0° |
| C32 | C33 | O33 | C29 | 61.1° | 61.2° |
| C33 | C32 | C31 | H41 | 55.8° | 62.9° |
| C32 | C33 | C35 | H47 | 180.0° | 65.3° |
| C32 | C33 | C35 | H48 | 60.0° | 174.7° |
| C32 | C33 | C35 | H49 | 60.0° | 54.7° |
| O30 | C30 | C29 | H39 | 122.0° | 120.1° |
| O30 | C30 | C29 | O33 | 178.2° | 177.6° |
| O30 | C30 | C29 | O39 | 51.5° | 62.4° |
| O30 | C30 | C29 | H38 | 65.4° | 57.6° |
| O30 | C30 | C31 | H41 | 64.8° | 57.1° |
| C30 | C29 | O33 | C33 | 61.5° | 61.1° |
| C30 | C29 | O33 | O39 | 124.0° | 120.0° |
| C30 | C29 | O33 | H38 | 115.7° | 120.0° |
| C30 | C29 | O39 | H38 | 116.2° | 120.1° |
| C30 | C29 | O39 | C39 | 123.4° | 175.1° |
| C29 | C30 | O30 | H40 | 61.6° | 60.0° |
| C29 | C30 | C31 | H41 | 55.6° | 62.9° |
| C35 | C33 | O33 | H43 | 119.9° | 120.0° |
| C35 | C33 | O33 | C29 | 179.2° | 178.8° |
| C35 | C33 | C32 | H42 | 58.4° | 62.5° |
| C33 | C35 | H47 | H48 | 120.0° | 120.1° |
| C33 | C35 | H47 | H49 | 120.0° | 120.0° |
| C33 | C35 | H48 | H49 | 120.0° | 120.0° |
| C33 | O33 | C29 | O39 | 174.5° | 178.9° |
| C33 | O33 | C29 | H38 | 54.2° | 58.8° |
| O33 | C33 | C32 | H42 | 178.5° | 177.5° |
| O33 | C33 | C35 | H47 | 59.5° | 54.7° |
| O33 | C33 | C35 | H48 | 179.6° | 65.4° |
| O33 | C33 | C35 | H49 | 60.4° | 174.7° |
| O33 | C29 | O39 | H38 | 120.3° | 120.0° |
| O33 | C29 | O39 | C39 | 0.1° | 65.0° |
| O33 | C29 | C30 | H39 | 56.2° | 62.3° |
| C29 | O33 | C33 | H43 | 59.3° | 58.9° |
| C29 | O39 | C39 | C38 | 161.1° | 90.0° |
| C29 | O39 | C39 | C40 | 79.9° | 150.3° |
| O39 | C29 | C30 | H39 | 70.5° | 57.6° |
| C29 | O39 | C39 | H54 | 42.6° | 30.1° |
| O39 | C39 | C38 | C40 | 118.4° | 119.9° |
| O39 | C39 | C38 | H54 | 119.3° | 120.2° |
| O39 | C39 | C40 | H54 | 123.3° | 120.2° |
| O39 | C39 | C38 | C37 | 59.3° | 176.9° |
| O39 | C39 | C38 | O38 | 179.0° | 63.3° |
| O39 | C39 | C40 | C42 | 171.3° | 62.5° |
| O39 | C39 | C40 | O40 | 65.3° | 177.5° |
| C39 | O39 | C29 | H38 | 120.4° | 55.0° |
| O39 | C39 | C38 | H52 | 56.8° | 57.0° |
| O39 | C39 | C40 | H55 | 52.8° | 57.5° |
| C38 | C39 | C40 | H54 | 122.5° | 119.9° |
| C39 | C38 | C37 | O38 | 123.3° | 119.9° |
| C39 | C38 | C37 | H52 | 116.2° | 119.9° |
| C39 | C38 | O38 | H52 | 121.7° | 120.3° |
| C39 | C38 | C37 | O37 | 167.0° | 62.9° |
| C39 | C38 | C37 | C36 | 69.1° | 57.0° |
| C38 | C39 | C40 | C42 | 74.6° | 177.6° |
| C38 | C39 | C40 | O40 | 48.8° | 57.6° |
| C39 | C38 | C37 | H51 | 46.8° | 176.9° |
| C39 | C38 | O38 | H53 | 180.0° | 179.5° |
| C38 | C39 | C40 | H55 | 166.9° | 62.4° |
| C40 | C39 | C38 | C37 | 59.1° | 57.0° |
| C40 | C39 | C38 | O38 | 62.6° | 176.8° |
| C39 | C40 | C42 | O40 | 124.9° | 120.0° |
| C39 | C40 | C42 | H55 | 118.3° | 120.0° |
| C39 | C40 | O40 | H55 | 117.4° | 120.0° |
| C39 | C40 | C42 | O42 | 175.5° | 175.0° |
| C39 | C40 | O40 | C36 | 48.6° | 61.2° |
| C40 | C39 | C38 | H52 | 175.2° | 62.9° |
| C39 | C40 | C42 | H59 | 55.8° | 55.0° |
| C39 | C40 | C42 | H60 | 64.6° | 65.0° |
| C37 | C38 | O38 | H52 | 119.9° | 120.2° |
| C38 | C37 | O37 | C41 | 136.2° | 150.3° |
| C38 | C37 | O37 | C36 | 121.9° | 119.7° |
| C38 | C37 | O37 | H51 | 119.6° | 120.3° |
| C38 | C37 | C36 | H51 | 116.0° | 120.0° |
| C38 | C37 | C36 | O40 | 66.5° | 57.6° |
| C38 | C37 | C36 | O44 | 65.2° | 177.5° |
| C38 | C37 | C36 | H50 | 179.7° | 62.4° |
| C37 | C38 | O38 | H53 | 61.5° | 60.0° |
| C37 | C38 | C39 | H54 | 178.6° | 63.0° |
| O38 | C38 | C37 | O37 | 69.7° | 57.0° |
| O38 | C38 | C37 | C36 | 54.2° | 176.8° |
| O38 | C38 | C37 | H51 | 170.1° | 63.2° |
| O38 | C38 | C39 | H54 | 59.6° | 56.9° |
| C41 | O37 | C37 | C36 | 101.8° | 90.0° |
| C41 | O37 | C37 | H51 | 16.7° | 30.1° |
| O37 | C41 | H56 | H57 | 120.0° | 120.0° |
| O37 | C41 | H56 | H58 | 120.0° | 120.0° |
| O37 | C41 | H57 | H58 | 120.0° | 120.0° |
| O37 | C37 | C36 | H51 | 119.2° | 120.1° |
| O37 | C37 | C36 | O40 | 168.7° | 62.3° |
| O37 | C37 | C36 | O44 | 59.6° | 57.7° |
| O37 | C37 | C36 | H50 | 55.5° | 177.7° |
| O37 | C37 | C38 | H52 | 50.8° | 177.2° |
| C37 | O37 | C41 | H56 | 180.0° | 60.0° |
| C37 | O37 | C41 | H57 | 60.0° | 60.1° |
| C37 | O37 | C41 | H58 | 60.0° | 180.0° |
| C37 | C36 | O40 | C40 | 56.9° | 61.1° |
| C37 | C36 | O40 | O44 | 126.0° | 120.0° |
| C37 | C36 | O40 | H50 | 112.7° | 119.9° |
| C37 | C36 | O44 | H50 | 114.7° | 120.0° |
| C37 | C36 | O44 | C44 | 68.7° | 175.0° |
| C36 | C37 | C38 | H52 | 174.7° | 63.0° |
| C42 | C40 | O40 | H55 | 116.1° | 120.0° |
| C40 | C42 | O42 | H59 | 119.8° | 120.1° |
| C40 | C42 | O42 | H60 | 119.8° | 120.0° |
| C42 | C40 | O40 | C36 | 77.9° | 178.8° |
| C40 | C42 | O42 | C43 | 60.0° | 180.0° |
| C42 | C40 | C39 | H54 | 47.9° | 57.7° |
| C40 | C42 | H59 | H60 | 120.6° | 120.0° |
| O40 | C40 | C42 | O42 | 59.5° | 65.0° |
| C40 | O40 | C36 | O44 | 69.1° | 178.9° |
| C40 | O40 | C36 | H50 | 169.6° | 58.8° |
| O40 | C40 | C39 | H54 | 171.3° | 62.3° |
| O40 | C40 | C42 | H59 | 179.3° | 174.9° |
| O40 | C40 | C42 | H60 | 60.3° | 55.0° |
| O42 | C42 | C40 | H55 | 57.2° | 55.0° |
| O42 | C42 | H59 | H60 | 120.6° | 120.0° |
| C42 | O42 | C43 | H61 | 180.0° | 180.0° |
| C42 | O42 | C43 | H62 | 60.0° | 59.9° |
| C42 | O42 | C43 | H63 | 60.0° | 60.0° |
| O40 | C36 | O44 | H50 | 121.5° | 120.1° |
| O40 | C36 | O44 | C44 | 167.5° | 65.1° |
| O40 | C36 | C37 | H51 | 49.5° | 177.6° |
| C36 | O40 | C40 | H55 | 166.0° | 58.8° |
| C36 | O44 | C44 | O48 | 117.0° | 62.8° |
| C36 | O44 | C44 | C45 | 115.2° | 175.0° |
| O44 | C36 | C37 | H51 | 178.8° | 62.4° |
| C36 | O44 | C44 | H64 | 0.1° | 56.1° |
| C43 | O42 | C42 | H59 | 59.7° | 59.9° |
| C43 | O42 | C42 | H60 | 179.8° | 60.0° |
| O42 | C43 | H61 | H62 | 120.0° | 120.1° |
| O42 | C43 | H61 | H63 | 120.0° | 120.0° |
| O42 | C43 | H62 | H63 | 120.0° | 120.0° |
| O48 | C44 | O44 | C45 | 127.7° | 122.2° |
| O48 | C44 | O44 | H64 | 116.9° | 118.9° |
| O48 | C44 | C45 | H64 | 113.2° | 120.6° |
| C44 | O48 | C48 | C47 | 59.2° | 58.3° |
| O48 | C44 | C45 | O45 | 61.9° | 65.0° |
| O48 | C44 | C45 | C46 | 54.8° | 54.3° |
| O48 | C44 | C45 | H65 | 176.3° | 173.8° |
| C44 | O48 | C48 | H68 | 60.8° | 177.7° |
| C44 | O48 | C48 | H69 | 179.2° | 61.0° |
| C48 | O48 | C44 | O44 | 76.1° | 66.1° |
| C48 | O48 | C44 | C45 | 54.3° | 54.4° |
| O48 | C48 | C47 | H68 | 120.0° | 119.3° |
| O48 | C48 | C47 | H69 | 120.0° | 119.4° |
| O48 | C48 | C47 | C46 | 63.8° | 63.0° |
| O48 | C48 | C47 | O47 | 168.7° | 174.2° |
| C48 | O48 | C44 | H64 | 167.0° | 174.9° |
| O48 | C48 | C47 | H67 | 60.7° | 57.4° |
| O48 | C48 | H68 | H69 | 120.0° | 121.3° |
| O44 | C44 | C45 | H64 | 115.7° | 118.9° |
| O44 | C44 | C45 | O45 | 167.1° | 174.5° |
| O44 | C44 | C45 | C46 | 76.3° | 66.2° |
| C44 | O44 | C36 | H50 | 46.1° | 55.0° |
| O44 | C44 | C45 | H65 | 45.3° | 53.3° |
| C44 | C45 | O45 | C46 | 117.1° | 117.5° |
| C44 | C45 | O45 | H65 | 120.8° | 121.2° |
| C44 | C45 | C46 | H65 | 121.3° | 119.5° |
| C44 | C45 | O45 | C71 | 151.3° | 90.0° |
| C44 | C45 | C46 | C47 | 62.5° | 61.9° |
| C44 | C45 | C46 | O46 | 171.3° | 175.6° |
| C44 | C45 | C46 | H66 | 60.4° | 57.4° |
| C48 | C47 | C46 | C45 | 66.2° | 68.3° |
| C48 | C47 | C46 | O47 | 116.3° | 122.7° |
| C48 | C47 | C46 | H67 | 124.3° | 120.8° |
| C48 | C47 | O47 | H67 | 130.0° | 128.7° |
| C48 | C47 | C46 | O46 | 175.0° | 167.2° |
| C48 | C47 | O47 | C49 | 165.9° | 155.3° |
| C48 | C47 | C46 | H66 | 56.3° | 50.7° |
| C47 | C48 | H68 | H69 | 120.0° | 121.2° |
| O45 | C45 | C46 | H65 | 122.8° | 121.2° |
| O45 | C45 | C46 | C47 | 53.4° | 57.4° |
| O45 | C45 | C46 | O46 | 55.4° | 56.3° |
| C45 | O45 | C71 | C72 | 176.7° | 180.0° |
| C45 | O45 | C71 | O71 | 4.6° | 0.0° |
| O45 | C45 | C44 | H64 | 51.3° | 55.6° |
| O45 | C45 | C46 | H66 | 176.2° | 176.7° |
| C46 | C45 | O45 | C71 | 91.7° | 152.5° |
| C45 | C46 | C47 | O46 | 118.7° | 124.5° |
| C45 | C46 | C47 | H66 | 122.5° | 119.0° |
| C45 | C46 | C47 | O47 | 177.4° | 169.0° |
| C45 | C46 | O46 | H66 | 127.8° | 127.0° |
| C45 | C46 | O46 | C49 | 152.4° | 146.0° |
| C46 | C45 | C44 | H64 | 168.0° | 174.9° |
| C45 | C46 | C47 | H67 | 58.1° | 52.5° |
| C73 | C72 | C71 | O45 | 60.7° | 59.9° |
| C73 | C72 | C71 | C74 | 120.2° | 120.1° |
| C73 | C72 | C71 | H76 | 119.4° | 120.0° |
| C73 | C72 | C71 | O71 | 118.0° | 120.0° |
| C73 | C72 | C74 | H76 | 119.9° | 120.0° |
| C72 | C73 | H77 | H78 | 120.0° | 120.1° |
| C72 | C73 | H77 | H79 | 120.0° | 119.9° |
| C72 | C73 | H78 | H79 | 120.0° | 120.0° |
| C73 | C72 | C74 | H80 | 180.0° | 180.0° |
| C73 | C72 | C74 | H81 | 60.0° | 60.0° |
| C73 | C72 | C74 | H82 | 60.0° | 60.0° |
| O45 | C71 | C72 | O71 | 178.7° | 180.0° |
| O45 | C71 | C72 | C74 | 179.1° | 180.0° |
| C71 | O45 | C45 | H65 | 30.4° | 31.2° |
| O45 | C71 | C72 | H76 | 58.7° | 60.1° |
| C46 | C47 | O47 | H67 | 118.6° | 116.6° |
| C47 | C46 | O46 | H66 | 118.2° | 116.7° |
| C46 | C47 | O47 | C49 | 54.4° | 40.7° |
| C47 | C46 | O46 | C49 | 38.4° | 29.6° |
| C47 | C46 | C45 | H65 | 176.2° | 178.6° |
| C46 | C47 | C48 | H68 | 56.2° | 177.7° |
| C46 | C47 | C48 | H69 | 176.2° | 56.4° |
| O47 | C47 | C46 | O46 | 58.7° | 44.5° |
| C47 | O47 | C49 | O46 | 31.3° | 24.2° |
| C47 | O47 | C49 | O53 | 87.0° | 95.5° |
| C47 | O47 | C49 | C50 | 151.5° | 145.8° |
| O47 | C47 | C46 | H66 | 60.0° | 72.0° |
| O47 | C47 | C48 | H68 | 48.7° | 66.5° |
| O47 | C47 | C48 | H69 | 71.3° | 54.7° |
| C46 | O46 | C49 | O47 | 5.4° | 5.1° |
| C46 | O46 | C49 | O53 | 126.0° | 124.7° |
| C46 | O46 | C49 | C50 | 114.6° | 116.4° |
| O46 | C46 | C45 | H65 | 67.4° | 64.9° |
| O46 | C46 | C47 | H67 | 60.7° | 72.0° |
| O47 | C49 | O46 | O53 | 120.6° | 119.6° |
| O47 | C49 | O46 | C50 | 120.0° | 121.5° |
| O47 | C49 | O53 | C50 | 123.0° | 120.1° |
| O47 | C49 | O53 | C53 | 178.3° | 177.2° |
| O47 | C49 | C50 | O50 | 66.8° | 67.1° |
| O47 | C49 | C50 | C51 | 175.1° | 178.6° |
| C49 | O47 | C47 | H67 | 64.2° | 76.0° |
| O47 | C49 | C50 | H70 | 61.7° | 61.5° |
| C71 | C72 | C74 | H76 | 120.4° | 119.9° |
| C71 | C72 | C73 | H77 | 180.0° | 180.0° |
| C71 | C72 | C73 | H78 | 60.0° | 59.9° |
| C71 | C72 | C73 | H79 | 60.0° | 60.1° |
| C71 | C72 | C74 | H80 | 60.3° | 60.0° |
| C71 | C72 | C74 | H81 | 179.7° | 179.9° |
| C71 | C72 | C74 | H82 | 59.7° | 60.0° |
| O71 | C71 | C72 | C74 | 2.2° | 0.0° |
| O71 | C71 | C72 | H76 | 122.5° | 120.0° |
| C74 | C72 | C73 | H77 | 59.4° | 60.0° |
| C74 | C72 | C73 | H78 | 179.4° | 180.0° |
| C74 | C72 | C73 | H79 | 60.7° | 60.0° |
| C72 | C74 | H80 | H81 | 120.0° | 120.0° |
| C72 | C74 | H80 | H82 | 120.0° | 120.0° |
| C72 | C74 | H81 | H82 | 120.0° | 120.0° |
| O46 | C49 | O53 | C50 | 121.3° | 120.5° |
| O46 | C49 | O53 | C53 | 62.6° | 63.4° |
| O46 | C49 | C50 | O50 | 49.5° | 53.6° |
| O46 | C49 | C50 | C51 | 58.9° | 57.9° |
| C49 | O46 | C46 | H66 | 79.9° | 87.0° |
| O46 | C49 | C50 | H70 | 177.9° | 177.8° |
| O53 | C49 | C50 | O50 | 169.3° | 173.4° |
| O53 | C49 | C50 | C51 | 61.0° | 61.9° |
| C49 | O53 | C53 | C77 | 179.8° | 174.1° |
| C49 | O53 | C53 | C52 | 58.4° | 53.5° |
| O53 | C49 | C50 | H70 | 62.2° | 57.9° |
| C49 | O53 | C53 | H73 | 61.2° | 67.0° |
| C50 | C49 | O53 | C53 | 58.7° | 57.1° |
| C49 | C50 | O50 | C51 | 114.5° | 115.1° |
| C49 | C50 | O50 | H70 | 127.6° | 128.3° |
| C49 | C50 | O50 | C54 | 159.2° | 156.3° |
| C49 | C50 | C51 | H70 | 122.8° | 119.7° |
| C49 | C50 | C51 | C52 | 64.0° | 67.5° |
| C49 | C50 | C51 | O51 | 177.2° | 168.0° |
| C49 | C50 | C51 | H71 | 58.8° | 51.5° |
| O53 | C53 | C77 | C52 | 121.5° | 122.2° |
| O53 | C53 | C77 | H73 | 119.6° | 118.8° |
| O53 | C53 | C52 | H73 | 120.1° | 120.4° |
| O53 | C53 | C52 | C51 | 58.0° | 54.6° |
| O53 | C53 | C52 | O52 | 62.2° | 64.8° |
| O53 | C53 | C52 | C75 | 176.4° | 174.0° |
| O53 | C53 | C77 | H86 | 180.0° | 62.2° |
| O53 | C53 | C77 | H87 | 60.0° | 57.8° |
| O53 | C53 | C77 | H88 | 60.0° | 177.8° |
| O50 | C50 | C51 | H70 | 118.3° | 117.0° |
| C50 | O50 | C54 | O51 | 16.7° | 24.8° |
| O50 | C50 | C51 | C52 | 177.1° | 169.3° |
| O50 | C50 | C51 | O51 | 58.3° | 44.8° |
| O50 | C50 | C51 | H71 | 60.1° | 71.8° |
| C50 | O50 | C54 | H74 | 136.1° | 144.6° |
| C50 | O50 | C54 | H75 | 102.8° | 95.0° |
| C54 | O50 | C50 | C51 | 44.7° | 41.2° |
| O50 | C54 | O51 | H74 | 119.5° | 119.8° |
| O50 | C54 | O51 | H75 | 119.5° | 119.7° |
| O50 | C54 | O51 | C51 | 19.3° | 4.7° |
| C54 | O50 | C50 | H70 | 73.2° | 75.4° |
| O50 | C54 | H74 | H75 | 121.6° | 120.4° |
| C50 | C51 | C52 | C53 | 61.8° | 62.1° |
| C50 | C51 | O51 | C54 | 46.7° | 29.5° |
| C50 | C51 | C52 | O51 | 109.3° | 113.6° |
| C50 | C51 | C52 | H71 | 123.1° | 118.9° |
| C50 | C51 | O51 | H71 | 117.8° | 116.4° |
| C50 | C51 | C52 | O52 | 57.8° | 57.3° |
| C50 | C51 | C52 | C75 | 177.6° | 178.4° |
| C77 | C53 | C52 | H73 | 118.9° | 118.9° |
| C77 | C53 | C52 | C51 | 179.0° | 175.2° |
| C77 | C53 | C52 | O52 | 58.8° | 55.8° |
| C77 | C53 | C52 | C75 | 62.7° | 65.4° |
| C53 | C77 | H86 | H87 | 120.0° | 120.0° |
| C53 | C77 | H86 | H88 | 120.0° | 120.0° |
| C53 | C77 | H87 | H88 | 120.0° | 120.0° |
| C53 | C52 | C51 | O52 | 119.6° | 119.4° |
| C53 | C52 | C51 | C75 | 120.6° | 119.5° |
| C53 | C52 | C51 | O51 | 171.1° | 175.7° |
| C53 | C52 | O52 | C75 | 122.8° | 121.2° |
| C53 | C52 | C75 | O75 | 66.5° | 92.7° |
| C53 | C52 | C75 | C76 | 116.2° | 87.3° |
| C53 | C52 | C51 | H71 | 61.3° | 56.8° |
| C53 | C52 | O52 | H72 | 180.0° | 62.4° |
| C52 | C53 | C77 | H86 | 58.5° | 60.0° |
| C52 | C53 | C77 | H87 | 61.5° | 180.0° |
| C52 | C53 | C77 | H88 | 178.5° | 60.0° |
| C54 | O51 | C51 | C52 | 162.1° | 145.8° |
| C54 | O51 | C51 | H71 | 71.1° | 86.8° |
| O51 | C54 | H74 | H75 | 121.6° | 120.5° |
| C52 | C51 | O51 | H71 | 126.8° | 127.3° |
| C51 | C52 | O52 | C75 | 119.0° | 121.1° |
| C51 | C52 | C75 | O75 | 51.4° | 25.0° |
| C51 | C52 | C75 | C76 | 125.9° | 155.0° |
| C52 | C51 | C50 | H70 | 58.7° | 52.3° |
| C51 | C52 | O52 | H72 | 61.8° | 180.0° |
| C51 | C52 | C53 | H73 | 62.1° | 65.9° |
| O51 | C51 | C52 | O52 | 51.5° | 56.4° |
| O51 | C51 | C52 | C75 | 68.3° | 64.8° |
| O51 | C51 | C50 | H70 | 60.0° | 72.2° |
| C51 | O51 | C54 | H74 | 100.2° | 115.1° |
| C51 | O51 | C54 | H75 | 138.7° | 124.4° |
| O52 | C52 | C75 | O75 | 171.9° | 146.1° |
| O52 | C52 | C75 | C76 | 5.4° | 33.9° |
| O52 | C52 | C51 | H71 | 179.0° | 176.2° |
| O52 | C52 | C53 | H73 | 177.7° | 174.8° |
| C52 | C75 | O75 | C76 | 177.1° | 180.0° |
| C75 | C52 | C51 | H71 | 59.2° | 62.7° |
| C75 | C52 | O52 | H72 | 57.2° | 58.8° |
| C75 | C52 | C53 | H73 | 56.2° | 53.6° |
| C52 | C75 | C76 | H83 | 177.3° | 90.0° |
| C52 | C75 | C76 | H84 | 57.3° | 150.0° |
| C52 | C75 | C76 | H85 | 62.7° | 30.0° |
| O75 | C75 | C76 | H83 | 0.0° | 90.0° |
| O75 | C75 | C76 | H84 | 120.0° | 30.1° |
| O75 | C75 | C76 | H85 | 120.0° | 150.0° |
| C75 | C76 | H83 | H84 | 120.0° | 120.0° |
| C75 | C76 | H83 | H85 | 120.0° | 120.0° |
| C75 | C76 | H84 | H85 | 120.0° | 120.0° |
| H2 | C07 | H3 | H4 | 120.0° | 120.0° |
| H5 | C08 | H6 | H7 | 119.9° | 120.0° |
| H8 | C10 | C11 | H9 | 173.6° | 57.5° |
| H8 | C10 | C11 | H10 | 54.2° | 177.6° |
| H9 | C11 | C12 | H11 | 177.0° | 57.0° |
| H10 | C11 | C12 | H11 | 57.6° | 177.2° |
| H11 | C12 | O12 | H12 | 123.1° | 60.2° |
| H11 | C12 | C13 | H13 | 175.9° | 177.1° |
| H13 | C13 | C14 | H14 | 173.8° | 177.7° |
| H14 | C14 | C15 | H15 | 60.3° | 179.9° |
| H14 | C14 | C15 | H16 | 59.7° | 60.0° |
| H14 | C14 | C15 | H17 | 179.7° | 60.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | C18 | H20 | 179.9° | 56.5° |
| H19 | C17 | C18 | H20 | 59.4° | 176.7° |
| H20 | C18 | O18 | H21 | 60.4° | 60.2° |
| H20 | C18 | C19 | H22 | 177.2° | 177.5° |
| H22 | C19 | C20 | H23 | 178.2° | 178.0° |
| H23 | C20 | C21 | H24 | 61.5° | 175.3° |
| H23 | C20 | C21 | H25 | 58.5° | 64.6° |
| H23 | C20 | C21 | H26 | 178.5° | 55.4° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
| H27 | C22 | C23 | H28 | 173.8° | 53.4° |
| H27 | C22 | C23 | H29 | 53.7° | 174.5° |
| H30 | C25 | C26 | H31 | 178.8° | 176.6° |
| H31 | C26 | C28 | H35 | 60.7° | 178.7° |
| H31 | C26 | C28 | H36 | 59.3° | 58.8° |
| H31 | C26 | C28 | H37 | 179.3° | 61.2° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
| H35 | C28 | H36 | H37 | 120.0° | 120.1° |
| H38 | C29 | C30 | H39 | 172.6° | 177.7° |
| H39 | C30 | O30 | H40 | 59.5° | 60.1° |
| H39 | C30 | C31 | H41 | 173.9° | 177.2° |
| H41 | C31 | C32 | H42 | 64.3° | 57.1° |
| H42 | C32 | C33 | H43 | 60.5° | 57.5° |
| H43 | C33 | C35 | H47 | 61.1° | 174.6° |
| H43 | C33 | C35 | H48 | 59.0° | 54.6° |
| H43 | C33 | C35 | H49 | 179.0° | 65.4° |
| H44 | C34 | H45 | H46 | 120.0° | 120.0° |
| H47 | C35 | H48 | H49 | 120.0° | 120.0° |
| H50 | C36 | C37 | H51 | 63.8° | 57.6° |
| H51 | C37 | C38 | H52 | 69.4° | 57.0° |
| H52 | C38 | O38 | H53 | 58.3° | 60.2° |
| H52 | C38 | C39 | H54 | 62.5° | 177.2° |
| H54 | C39 | C40 | H55 | 70.6° | 177.7° |
| H55 | C40 | C42 | H59 | 62.6° | 65.0° |
| H55 | C40 | C42 | H60 | 177.0° | 175.0° |
| H56 | C41 | H57 | H58 | 120.0° | 120.0° |
| H61 | C43 | H62 | H63 | 120.0° | 119.9° |
| H64 | C44 | C45 | H65 | 70.4° | 65.6° |
| H65 | C45 | C46 | H66 | 61.0° | 62.1° |
| H66 | C46 | C47 | H67 | 179.4° | 171.5° |
| H67 | C47 | C48 | H68 | 179.3° | 61.9° |
| H67 | C47 | C48 | H69 | 59.3° | 176.9° |
| H70 | C50 | C51 | H71 | 178.5° | 171.2° |
| H73 | C53 | C77 | H86 | 60.4° | 179.0° |
| H73 | C53 | C77 | H87 | 179.6° | 61.1° |
| H73 | C53 | C77 | H88 | 59.6° | 59.0° |
| H76 | C72 | C73 | H77 | 60.6° | 60.1° |
| H76 | C72 | C73 | H78 | 59.4° | 60.0° |
| H76 | C72 | C73 | H79 | 179.4° | 180.0° |
| H76 | C72 | C74 | H80 | 60.0° | 59.9° |
| H76 | C72 | C74 | H81 | 59.9° | 60.0° |
| H76 | C72 | C74 | H82 | 179.9° | 179.9° |
| H77 | C73 | H78 | H79 | 120.0° | 120.0° |
| H80 | C74 | H81 | H82 | 120.0° | 120.0° |
| H83 | C76 | H84 | H85 | 120.0° | 120.0° |
| H86 | C77 | H87 | H88 | 120.0° | 120.0° |
