6ZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.60Å | |
| O35 | C34 | sing | 1.43Å | 1.46Å | |
| O37 | C36 | sing | 1.43Å | 1.45Å | |
| C09 | C18 | sing | 1.53Å | 1.58Å | |
| C09 | C42 | sing | 1.53Å | 1.58Å | |
| O41 | C40 | sing | 1.43Å | 1.45Å | |
| C18 | O19 | sing | 1.43Å | 1.46Å | |
| C36 | C34 | sing | 1.53Å | 1.47Å | |
| C36 | C27 | sing | 1.53Å | 1.52Å | |
| C20 | C40 | sing | 1.53Å | 1.50Å | |
| C20 | O19 | sing | 1.43Å | 1.42Å | |
| C20 | O21 | sing | 1.43Å | 1.48Å | |
| C34 | C32 | sing | 1.53Å | 1.49Å | |
| C40 | C38 | sing | 1.53Å | 1.48Å | |
| C42 | O43 | sing | 1.43Å | 1.47Å | |
| O21 | C22 | sing | 1.43Å | 1.48Å | |
| O43 | C44 | sing | 1.43Å | 1.40Å | |
| C32 | O33 | sing | 1.43Å | 1.43Å | |
| C32 | C29 | sing | 1.53Å | 1.52Å | |
| O26 | C27 | sing | 1.43Å | 1.40Å | |
| O26 | C25 | sing | 1.43Å | 1.46Å | |
| C27 | O28 | sing | 1.43Å | 1.49Å | |
| C22 | C25 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C38 | C25 | sing | 1.53Å | 1.48Å | |
| C38 | O39 | sing | 1.43Å | 1.45Å | |
| O45 | C44 | sing | 1.43Å | 1.49Å | |
| O45 | C46 | sing | 1.43Å | 1.47Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C44 | C64 | sing | 1.53Å | 1.52Å | |
| O31 | C30 | sing | 1.43Å | 1.40Å | |
| C30 | C29 | sing | 1.53Å | 1.49Å | |
| C29 | O28 | sing | 1.43Å | 1.46Å | |
| O48 | C47 | sing | 1.43Å | 1.42Å | |
| C47 | C46 | sing | 1.53Å | 1.49Å | |
| C46 | C49 | sing | 1.53Å | 1.53Å | |
| O63 | C62 | sing | 1.43Å | 1.46Å | |
| C64 | C62 | sing | 1.53Å | 1.48Å | |
| C64 | O65 | sing | 1.43Å | 1.44Å | |
| C62 | C49 | sing | 1.53Å | 1.48Å | |
| C49 | O50 | sing | 1.43Å | 1.45Å | |
| O50 | C51 | sing | 1.43Å | 1.40Å | |
| C51 | O52 | sing | 1.43Å | 1.49Å | |
| C51 | C60 | sing | 1.53Å | 1.52Å | |
| O52 | C53 | sing | 1.43Å | 1.47Å | |
| O61 | C60 | sing | 1.43Å | 1.45Å | |
| C60 | C58 | sing | 1.53Å | 1.48Å | |
| O55 | C54 | sing | 1.43Å | 1.40Å | |
| C53 | C54 | sing | 1.53Å | 1.50Å | |
| C53 | C56 | sing | 1.53Å | 1.53Å | |
| C58 | O59 | sing | 1.43Å | 1.47Å | |
| C58 | C56 | sing | 1.53Å | 1.49Å | |
| C56 | O57 | sing | 1.43Å | 1.45Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| O24 | H33 | sing | 0.97Å | 0.95Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| O31 | H39 | sing | 0.97Å | 0.95Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| O33 | H41 | sing | 0.97Å | 0.95Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| O35 | H43 | sing | 0.97Å | 0.95Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| O37 | H45 | sing | 0.97Å | 0.95Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| O39 | H47 | sing | 0.97Å | 0.95Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| O41 | H49 | sing | 0.97Å | 0.95Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C46 | H53 | sing | 1.09Å | 1.10Å | |
| C47 | H54 | sing | 1.09Å | 1.10Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| O48 | H56 | sing | 0.97Å | 0.95Å | |
| C49 | H57 | sing | 1.09Å | 1.10Å | |
| C51 | H58 | sing | 1.09Å | 1.10Å | |
| C53 | H59 | sing | 1.09Å | 1.10Å | |
| C54 | H60 | sing | 1.09Å | 1.10Å | |
| C54 | H61 | sing | 1.09Å | 1.10Å | |
| O55 | H62 | sing | 0.97Å | 0.95Å | |
| C56 | H63 | sing | 1.09Å | 1.10Å | |
| O57 | H64 | sing | 0.97Å | 0.95Å | |
| C58 | H65 | sing | 1.09Å | 1.10Å | |
| O59 | H66 | sing | 0.97Å | 0.95Å | |
| C60 | H67 | sing | 1.09Å | 1.10Å | |
| O61 | H68 | sing | 0.97Å | 0.95Å | |
| C62 | H69 | sing | 1.09Å | 1.10Å | |
| O63 | H70 | sing | 0.97Å | 0.95Å | |
| C64 | H71 | sing | 1.09Å | 1.10Å | |
| O65 | H72 | sing | 0.97Å | 0.95Å | |
| C05 | C1 | sing | 1.53Å | 141.79Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C1 | H73 | sing | 1.09Å | 0.00Å | |
| C2 | H74 | sing | 1.09Å | 0.00Å | |
| C2 | H75 | sing | 1.09Å | 0.00Å | |
| C3 | H76 | sing | 1.09Å | 0.00Å | |
| C3 | H77 | sing | 1.09Å | 0.00Å | |
| C4 | H78 | sing | 1.09Å | 0.00Å | |
| C4 | H79 | sing | 1.09Å | 0.00Å | |
| C4 | H80 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C06 | C07 | 112.3° | 109.4° |
| C06 | C05 | H1 | 110.9° | 109.5° |
| C06 | C05 | H2 | 110.9° | 109.5° |
| C05 | C06 | H4 | 108.8° | 109.5° |
| C05 | C06 | H5 | 108.8° | 109.5° |
| C06 | C05 | C1 | 103.6° | 109.5° |
| C17 | C16 | C15 | 112.4° | 109.5° |
| C17 | C16 | H22 | 108.7° | 109.5° |
| C17 | C16 | H23 | 108.7° | 109.5° |
| C16 | C17 | H24 | 109.5° | 109.5° |
| C16 | C17 | H25 | 109.5° | 109.5° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C15 | C14 | 112.1° | 109.5° |
| C16 | C15 | H20 | 108.8° | 109.5° |
| C16 | C15 | H21 | 108.8° | 109.5° |
| C15 | C16 | H22 | 108.7° | 109.5° |
| C15 | C16 | H23 | 108.7° | 109.5° |
| C15 | C14 | C13 | 112.4° | 109.5° |
| C15 | C14 | H18 | 108.7° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.5° |
| C14 | C15 | H20 | 108.8° | 109.4° |
| C14 | C15 | H21 | 108.8° | 109.5° |
| C06 | C07 | C08 | 112.6° | 109.4° |
| C07 | C06 | H4 | 108.7° | 109.5° |
| C07 | C06 | H5 | 108.8° | 109.4° |
| C06 | C07 | H6 | 108.7° | 109.5° |
| C06 | C07 | H7 | 108.7° | 109.5° |
| C14 | C13 | C12 | 111.9° | 109.5° |
| C14 | C13 | H16 | 108.9° | 109.5° |
| C14 | C13 | H17 | 108.9° | 109.5° |
| C13 | C14 | H18 | 108.7° | 109.5° |
| C13 | C14 | H19 | 108.7° | 109.5° |
| C13 | C12 | C11 | 112.6° | 109.4° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C13 | C12 | H15 | 108.7° | 109.4° |
| C12 | C13 | H16 | 108.9° | 109.5° |
| C12 | C13 | H17 | 108.9° | 109.4° |
| C07 | C08 | C09 | 113.0° | 109.4° |
| C08 | C07 | H6 | 108.7° | 109.4° |
| C08 | C07 | H7 | 108.7° | 109.5° |
| C07 | C08 | H8 | 108.6° | 109.4° |
| C07 | C08 | H9 | 108.6° | 109.5° |
| C12 | C11 | C10 | 112.1° | 109.4° |
| C12 | C11 | H12 | 108.8° | 109.5° |
| C12 | C11 | H13 | 108.8° | 109.4° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C11 | C12 | H15 | 108.7° | 109.5° |
| C11 | C10 | C09 | 112.8° | 109.4° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.4° |
| C10 | C11 | H12 | 108.8° | 109.5° |
| C10 | C11 | H13 | 108.8° | 109.5° |
| C08 | C09 | C10 | 109.9° | 109.4° |
| C08 | C09 | C18 | 110.2° | 109.4° |
| C08 | C09 | C42 | 109.6° | 109.5° |
| C09 | C08 | H8 | 108.6° | 109.5° |
| C09 | C08 | H9 | 108.6° | 109.5° |
| C10 | C09 | C18 | 110.0° | 109.5° |
| C10 | C09 | C42 | 108.2° | 109.5° |
| C09 | C10 | H10 | 108.7° | 109.4° |
| C09 | C10 | H11 | 108.6° | 109.5° |
| O35 | C34 | C36 | 109.1° | 109.6° |
| O35 | C34 | C32 | 109.0° | 109.5° |
| O35 | C34 | H42 | 109.3° | 109.5° |
| C34 | O35 | H43 | 109.5° | 114.0° |
| O37 | C36 | C34 | 109.1° | 109.5° |
| O37 | C36 | C27 | 109.3° | 109.5° |
| O37 | C36 | H44 | 108.8° | 109.6° |
| C36 | O37 | H45 | 109.5° | 114.0° |
| C18 | C09 | C42 | 108.9° | 109.5° |
| C09 | C18 | O19 | 108.1° | 109.5° |
| C09 | C18 | H27 | 109.8° | 109.5° |
| C09 | C18 | H28 | 109.8° | 109.5° |
| C09 | C42 | O43 | 108.5° | 109.5° |
| C09 | C42 | H50 | 109.7° | 109.4° |
| C09 | C42 | H51 | 109.7° | 109.5° |
| O41 | C40 | C20 | 108.8° | 109.6° |
| O41 | C40 | C38 | 108.6° | 109.5° |
| O41 | C40 | H48 | 109.5° | 109.5° |
| C40 | O41 | H49 | 109.5° | 113.9° |
| C18 | O19 | C20 | 113.3° | 114.0° |
| O19 | C18 | H27 | 109.8° | 109.4° |
| O19 | C18 | H28 | 109.8° | 109.5° |
| C34 | C36 | C27 | 113.1° | 109.1° |
| C36 | C34 | C32 | 111.3° | 109.1° |
| C36 | C34 | H42 | 109.2° | 109.5° |
| C34 | C36 | H44 | 108.6° | 109.5° |
| C36 | C27 | O26 | 109.5° | 109.5° |
| C36 | C27 | O28 | 113.5° | 109.4° |
| C36 | C27 | H35 | 106.5° | 109.5° |
| C27 | C36 | H44 | 107.9° | 109.5° |
| C40 | C20 | O19 | 109.0° | 109.5° |
| C40 | C20 | O21 | 113.0° | 109.4° |
| C20 | C40 | C38 | 112.0° | 109.1° |
| C40 | C20 | H29 | 108.3° | 109.5° |
| C20 | C40 | H48 | 108.8° | 109.5° |
| O19 | C20 | O21 | 108.5° | 109.5° |
| O19 | C20 | H29 | 109.4° | 109.4° |
| C20 | O21 | C22 | 113.3° | 114.1° |
| O21 | C20 | H29 | 108.6° | 109.5° |
| C34 | C32 | O33 | 108.9° | 109.6° |
| C34 | C32 | C29 | 113.1° | 109.1° |
| C34 | C32 | H40 | 108.5° | 109.6° |
| C32 | C34 | H42 | 108.9° | 109.6° |
| C40 | C38 | C25 | 110.9° | 109.1° |
| C40 | C38 | O39 | 108.3° | 109.5° |
| C40 | C38 | H46 | 109.4° | 109.6° |
| C38 | C40 | H48 | 109.1° | 109.5° |
| C42 | O43 | C44 | 112.7° | 114.0° |
| O43 | C42 | H50 | 109.7° | 109.4° |
| O43 | C42 | H51 | 109.7° | 109.5° |
| O21 | C22 | C25 | 113.8° | 109.4° |
| O21 | C22 | C23 | 108.0° | 109.5° |
| O21 | C22 | H30 | 109.1° | 109.5° |
| O43 | C44 | O45 | 109.2° | 109.5° |
| O43 | C44 | C64 | 108.6° | 109.5° |
| O43 | C44 | H52 | 109.3° | 109.4° |
| O33 | C32 | C29 | 108.9° | 109.5° |
| O33 | C32 | H40 | 109.3° | 109.6° |
| C32 | O33 | H41 | 109.5° | 114.0° |
| C32 | C29 | C30 | 108.5° | 109.5° |
| C32 | C29 | O28 | 113.9° | 109.4° |
| C32 | C29 | H36 | 108.2° | 109.5° |
| C29 | C32 | H40 | 108.0° | 109.5° |
| C27 | O26 | C25 | 114.5° | 114.0° |
| O26 | C27 | O28 | 112.2° | 109.5° |
| O26 | C27 | H35 | 108.0° | 109.5° |
| O26 | C25 | C22 | 109.7° | 109.5° |
| O26 | C25 | C38 | 108.4° | 109.6° |
| O26 | C25 | H34 | 109.0° | 109.6° |
| C27 | O28 | C29 | 112.7° | 114.1° |
| O28 | C27 | H35 | 106.8° | 109.5° |
| C25 | C22 | C23 | 108.3° | 109.5° |
| C22 | C25 | C38 | 112.6° | 109.1° |
| C25 | C22 | H30 | 108.7° | 109.5° |
| C22 | C25 | H34 | 108.4° | 109.5° |
| C22 | C23 | O24 | 108.1° | 109.5° |
| C23 | C22 | H30 | 108.8° | 109.5° |
| C22 | C23 | H31 | 109.8° | 109.5° |
| C22 | C23 | H32 | 109.8° | 109.5° |
| C25 | C38 | O39 | 108.9° | 109.6° |
| C38 | C25 | H34 | 108.7° | 109.5° |
| C25 | C38 | H46 | 109.5° | 109.6° |
| O39 | C38 | H46 | 109.8° | 109.5° |
| C38 | O39 | H47 | 109.5° | 114.0° |
| C44 | O45 | C46 | 111.9° | 114.0° |
| O45 | C44 | C64 | 113.8° | 109.4° |
| O45 | C44 | H52 | 108.1° | 109.5° |
| O45 | C46 | C47 | 108.8° | 109.4° |
| O45 | C46 | C49 | 113.7° | 109.4° |
| O45 | C46 | H53 | 108.7° | 109.5° |
| O24 | C23 | H31 | 109.8° | 109.5° |
| O24 | C23 | H32 | 109.8° | 109.5° |
| C23 | O24 | H33 | 109.5° | 114.0° |
| C44 | C64 | C62 | 112.9° | 109.2° |
| C44 | C64 | O65 | 107.9° | 109.5° |
| C64 | C44 | H52 | 107.7° | 109.5° |
| C44 | C64 | H71 | 108.7° | 109.5° |
| O31 | C30 | C29 | 108.1° | 109.5° |
| O31 | C30 | H37 | 109.8° | 109.5° |
| O31 | C30 | H38 | 109.8° | 109.5° |
| C30 | O31 | H39 | 109.5° | 114.0° |
| C30 | C29 | O28 | 108.8° | 109.5° |
| C30 | C29 | H36 | 108.6° | 109.5° |
| C29 | C30 | H37 | 109.8° | 109.5° |
| C29 | C30 | H38 | 109.8° | 109.5° |
| O28 | C29 | H36 | 108.9° | 109.5° |
| O48 | C47 | C46 | 108.5° | 109.5° |
| O48 | C47 | H54 | 109.7° | 109.5° |
| O48 | C47 | H55 | 109.7° | 109.5° |
| C47 | O48 | H56 | 109.5° | 114.0° |
| C47 | C46 | C49 | 109.3° | 109.5° |
| C47 | C46 | H53 | 108.4° | 109.6° |
| C46 | C47 | H54 | 109.7° | 109.4° |
| C46 | C47 | H55 | 109.7° | 109.5° |
| C46 | C49 | C62 | 112.5° | 109.1° |
| C46 | C49 | O50 | 107.9° | 109.5° |
| C49 | C46 | H53 | 107.9° | 109.5° |
| C46 | C49 | H57 | 108.5° | 109.5° |
| O63 | C62 | C64 | 108.6° | 109.6° |
| O63 | C62 | C49 | 108.5° | 109.5° |
| O63 | C62 | H69 | 110.0° | 109.5° |
| C62 | O63 | H70 | 109.5° | 114.0° |
| C62 | C64 | O65 | 108.4° | 109.6° |
| C64 | C62 | C49 | 110.1° | 109.1° |
| C64 | C62 | H69 | 109.8° | 109.6° |
| C62 | C64 | H71 | 109.2° | 109.5° |
| O65 | C64 | H71 | 109.8° | 109.6° |
| C64 | O65 | H72 | 109.5° | 114.1° |
| C62 | C49 | O50 | 109.2° | 109.5° |
| C62 | C49 | H57 | 109.2° | 109.5° |
| C49 | C62 | H69 | 109.8° | 109.5° |
| C49 | O50 | C51 | 111.6° | 114.0° |
| O50 | C49 | H57 | 109.5° | 109.5° |
| O50 | C51 | O52 | 109.6° | 109.5° |
| O50 | C51 | C60 | 108.3° | 109.4° |
| O50 | C51 | H58 | 109.4° | 109.5° |
| O52 | C51 | C60 | 113.6° | 109.4° |
| C51 | O52 | C53 | 117.7° | 114.1° |
| O52 | C51 | H58 | 108.1° | 109.5° |
| C51 | C60 | O61 | 108.2° | 109.5° |
| C51 | C60 | C58 | 114.4° | 109.2° |
| C60 | C51 | H58 | 107.8° | 109.5° |
| C51 | C60 | H67 | 108.1° | 109.5° |
| O52 | C53 | C54 | 108.6° | 109.5° |
| O52 | C53 | C56 | 114.6° | 109.4° |
| O52 | C53 | H59 | 108.6° | 109.5° |
| O61 | C60 | C58 | 108.5° | 109.5° |
| O61 | C60 | H67 | 109.0° | 109.6° |
| C60 | O61 | H68 | 109.5° | 114.0° |
| C60 | C58 | O59 | 108.3° | 109.6° |
| C60 | C58 | C56 | 117.1° | 109.0° |
| C60 | C58 | H65 | 107.7° | 109.7° |
| C58 | C60 | H67 | 108.6° | 109.5° |
| O55 | C54 | C53 | 108.2° | 109.5° |
| O55 | C54 | H60 | 109.8° | 109.5° |
| O55 | C54 | H61 | 109.8° | 109.4° |
| C54 | O55 | H62 | 109.5° | 114.0° |
| C54 | C53 | C56 | 108.7° | 109.5° |
| C54 | C53 | H59 | 108.3° | 109.5° |
| C53 | C54 | H60 | 109.8° | 109.5° |
| C53 | C54 | H61 | 109.8° | 109.5° |
| C53 | C56 | C58 | 114.4° | 109.2° |
| C53 | C56 | O57 | 108.8° | 109.5° |
| C56 | C53 | H59 | 107.8° | 109.5° |
| C53 | C56 | H63 | 107.9° | 109.5° |
| O59 | C58 | C56 | 107.9° | 109.5° |
| O59 | C58 | H65 | 107.9° | 109.6° |
| C58 | O59 | H66 | 109.5° | 114.0° |
| C58 | C56 | O57 | 108.2° | 109.5° |
| C58 | C56 | H63 | 108.5° | 109.6° |
| C56 | C58 | H65 | 107.7° | 109.5° |
| O57 | C56 | H63 | 109.0° | 109.6° |
| C56 | O57 | H64 | 109.5° | 114.0° |
| H1 | C05 | H2 | 109.4° | 109.4° |
| H1 | C05 | C1 | 110.9° | 109.5° |
| H2 | C05 | C1 | 110.9° | 109.4° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H24 | C17 | H25 | 109.4° | 109.4° |
| H24 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.4° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.4° |
| H50 | C42 | H51 | 109.5° | 109.5° |
| H54 | C47 | H55 | 109.5° | 109.5° |
| H60 | C54 | H61 | 109.4° | 109.5° |
| C05 | C1 | C2 | 90.0° | 109.5° |
| C05 | C1 | H3 | 90.0° | 109.5° |
| C05 | C1 | H73 | 90.0° | 109.4° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H3 | 90.0° | 109.5° |
| C2 | C1 | H73 | 90.0° | 109.4° |
| C1 | C2 | H74 | 90.0° | 109.4° |
| C1 | C2 | H75 | 90.0° | 109.4° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H74 | 90.0° | 109.5° |
| C3 | C2 | H75 | 90.0° | 109.5° |
| C2 | C3 | H76 | 90.0° | 109.4° |
| C2 | C3 | H77 | 90.0° | 109.5° |
| C4 | C3 | H76 | 90.0° | 109.5° |
| C4 | C3 | H77 | 90.0° | 109.5° |
| C3 | C4 | H78 | 90.0° | 109.5° |
| C3 | C4 | H79 | 90.0° | 109.5° |
| C3 | C4 | H80 | 90.0° | 109.5° |
| H3 | C1 | H73 | 90.0° | 109.5° |
| H74 | C2 | H75 | 90.0° | 109.4° |
| H76 | C3 | H77 | 90.0° | 109.5° |
| H78 | C4 | H79 | 90.0° | 109.5° |
| H78 | C4 | H80 | 90.0° | 109.5° |
| H79 | C4 | H80 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C06 | C07 | H4 | 120.4° | 120.0° |
| C05 | C06 | C07 | H5 | 120.4° | 120.0° |
| C05 | C06 | C07 | C08 | 67.1° | 180.0° |
| C06 | C05 | H1 | H2 | 122.7° | 120.0° |
| C06 | C05 | H1 | C1 | 114.6° | 120.0° |
| C06 | C05 | H2 | C1 | 114.6° | 120.0° |
| C05 | C06 | H4 | H5 | 118.7° | 120.0° |
| C05 | C06 | C07 | H6 | 53.3° | 60.0° |
| C05 | C06 | C07 | H7 | 172.4° | 60.0° |
| C06 | C05 | C1 | C2 | 90.0° | 180.0° |
| C06 | C05 | C1 | H3 | 90.0° | 60.0° |
| C06 | C05 | C1 | H73 | 90.0° | 60.1° |
| C17 | C16 | C15 | H22 | 120.4° | 120.0° |
| C17 | C16 | C15 | H23 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 176.3° | 180.0° |
| C17 | C16 | C15 | H20 | 55.9° | 60.0° |
| C17 | C16 | C15 | H21 | 63.3° | 60.0° |
| C17 | C16 | H22 | H23 | 118.6° | 120.0° |
| C16 | C17 | H24 | H25 | 120.0° | 120.0° |
| C16 | C17 | H24 | H26 | 120.0° | 120.0° |
| C16 | C17 | H25 | H26 | 120.0° | 120.0° |
| C16 | C15 | C14 | H20 | 120.4° | 120.0° |
| C16 | C15 | C14 | H21 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 141.7° | 180.0° |
| C16 | C15 | C14 | H18 | 21.3° | 60.0° |
| C16 | C15 | C14 | H19 | 97.8° | 60.0° |
| C16 | C15 | H20 | H21 | 118.8° | 120.1° |
| C15 | C16 | H22 | H23 | 118.7° | 120.0° |
| C15 | C16 | C17 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | H25 | 60.0° | 60.0° |
| C15 | C16 | C17 | H26 | 60.0° | 60.0° |
| C15 | C14 | C13 | H18 | 120.5° | 120.0° |
| C15 | C14 | C13 | H19 | 120.4° | 120.1° |
| C15 | C14 | C13 | C12 | 165.7° | 179.9° |
| C15 | C14 | C13 | H16 | 73.9° | 60.1° |
| C15 | C14 | C13 | H17 | 45.3° | 60.0° |
| C15 | C14 | H18 | H19 | 118.6° | 120.0° |
| C14 | C15 | H20 | H21 | 118.8° | 120.0° |
| C14 | C15 | C16 | H22 | 63.3° | 60.0° |
| C14 | C15 | C16 | H23 | 55.9° | 60.0° |
| C06 | C07 | C08 | H6 | 120.4° | 120.0° |
| C06 | C07 | C08 | H7 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 154.3° | 180.0° |
| C07 | C06 | C05 | H1 | 120.2° | 60.0° |
| C07 | C06 | C05 | H2 | 1.7° | 60.0° |
| C07 | C06 | H4 | H5 | 118.7° | 120.0° |
| C06 | C07 | H6 | H7 | 118.6° | 120.1° |
| C06 | C07 | C08 | H8 | 85.2° | 60.0° |
| C06 | C07 | C08 | H9 | 33.8° | 60.0° |
| C07 | C06 | C05 | C1 | 120.8° | 180.0° |
| C14 | C13 | C12 | H16 | 120.4° | 120.0° |
| C14 | C13 | C12 | H17 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 58.5° | 180.0° |
| C14 | C13 | C12 | H14 | 178.9° | 60.0° |
| C14 | C13 | C12 | H15 | 62.0° | 60.0° |
| C14 | C13 | H16 | H17 | 118.9° | 120.0° |
| C13 | C14 | H18 | H19 | 118.7° | 120.0° |
| C13 | C14 | C15 | H20 | 97.8° | 60.0° |
| C13 | C14 | C15 | H21 | 21.3° | 60.0° |
| C13 | C12 | C11 | H14 | 120.5° | 120.0° |
| C13 | C12 | C11 | H15 | 120.4° | 119.9° |
| C13 | C12 | C11 | C10 | 148.0° | 180.0° |
| C13 | C12 | C11 | H12 | 27.6° | 59.9° |
| C13 | C12 | C11 | H13 | 91.6° | 60.0° |
| C13 | C12 | H14 | H15 | 118.6° | 120.0° |
| C12 | C13 | H16 | H17 | 118.9° | 120.0° |
| C12 | C13 | C14 | H18 | 45.3° | 60.0° |
| C12 | C13 | C14 | H19 | 73.8° | 60.0° |
| C07 | C08 | C09 | H8 | 120.5° | 119.9° |
| C07 | C08 | C09 | H9 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 86.4° | 180.0° |
| C07 | C08 | C09 | C18 | 35.0° | 60.0° |
| C07 | C08 | C09 | C42 | 154.8° | 60.0° |
| C08 | C07 | C06 | H4 | 172.5° | 60.0° |
| C08 | C07 | C06 | H5 | 53.3° | 60.0° |
| C08 | C07 | H6 | H7 | 118.6° | 120.0° |
| C07 | C08 | H8 | H9 | 118.4° | 120.0° |
| C12 | C11 | C10 | H12 | 120.4° | 120.0° |
| C12 | C11 | C10 | H13 | 120.4° | 119.9° |
| C12 | C11 | C10 | C09 | 95.8° | 180.0° |
| C12 | C11 | C10 | H10 | 24.8° | 60.0° |
| C12 | C11 | C10 | H11 | 143.7° | 60.1° |
| C12 | C11 | H12 | H13 | 118.8° | 119.9° |
| C11 | C12 | H14 | H15 | 118.6° | 120.0° |
| C11 | C12 | C13 | H16 | 61.9° | 60.0° |
| C11 | C12 | C13 | H17 | 178.9° | 60.1° |
| C11 | C10 | C09 | C08 | 31.6° | 180.0° |
| C11 | C10 | C09 | H10 | 120.5° | 120.0° |
| C11 | C10 | C09 | H11 | 120.5° | 120.0° |
| C11 | C10 | C09 | C18 | 153.0° | 60.0° |
| C11 | C10 | C09 | C42 | 88.0° | 60.0° |
| C11 | C10 | H10 | H11 | 118.5° | 120.0° |
| C10 | C11 | H12 | H13 | 118.8° | 120.1° |
| C10 | C11 | C12 | H14 | 91.6° | 60.0° |
| C10 | C11 | C12 | H15 | 27.5° | 60.1° |
| C08 | C09 | C10 | C18 | 121.5° | 120.0° |
| C08 | C09 | C10 | C42 | 119.6° | 120.0° |
| C08 | C09 | C18 | C42 | 120.2° | 120.0° |
| C08 | C09 | C18 | O19 | 77.2° | 60.0° |
| C08 | C09 | C42 | O43 | 48.3° | 60.0° |
| C09 | C08 | C07 | H6 | 33.9° | 60.0° |
| C09 | C08 | C07 | H7 | 85.2° | 60.0° |
| C09 | C08 | H8 | H9 | 118.4° | 120.1° |
| C08 | C09 | C10 | H10 | 152.1° | 60.1° |
| C08 | C09 | C10 | H11 | 89.0° | 60.0° |
| C08 | C09 | C18 | H27 | 163.0° | 60.0° |
| C08 | C09 | C18 | H28 | 42.6° | 180.0° |
| C08 | C09 | C42 | H50 | 71.5° | 180.0° |
| C08 | C09 | C42 | H51 | 168.1° | 60.0° |
| C10 | C09 | C18 | C42 | 118.5° | 120.1° |
| C10 | C09 | C18 | O19 | 161.5° | 60.0° |
| C10 | C09 | C42 | O43 | 168.1° | 59.9° |
| C10 | C09 | C08 | H8 | 153.1° | 60.1° |
| C10 | C09 | C08 | H9 | 34.1° | 60.0° |
| C09 | C10 | H10 | H11 | 118.5° | 120.0° |
| C09 | C10 | C11 | H12 | 143.8° | 60.0° |
| C09 | C10 | C11 | H13 | 24.6° | 60.0° |
| C10 | C09 | C18 | H27 | 41.7° | 179.9° |
| C10 | C09 | C18 | H28 | 78.7° | 60.0° |
| C10 | C09 | C42 | H50 | 48.3° | 60.0° |
| C10 | C09 | C42 | H51 | 72.1° | 180.0° |
| O35 | C34 | C36 | O37 | 62.7° | 63.2° |
| O35 | C34 | C36 | C32 | 120.3° | 119.9° |
| O35 | C34 | C36 | H42 | 119.4° | 120.2° |
| O35 | C34 | C36 | C27 | 175.5° | 176.9° |
| O35 | C34 | C32 | H42 | 119.1° | 120.1° |
| O35 | C34 | C32 | O33 | 69.1° | 63.1° |
| O35 | C34 | C32 | C29 | 169.6° | 177.0° |
| O35 | C34 | C32 | H40 | 49.8° | 57.1° |
| O35 | C34 | C36 | H44 | 55.7° | 57.0° |
| O37 | C36 | C34 | C27 | 121.9° | 119.9° |
| O37 | C36 | C34 | H44 | 118.4° | 120.2° |
| O37 | C36 | C27 | H44 | 118.2° | 120.2° |
| O37 | C36 | C34 | C32 | 177.0° | 176.9° |
| O37 | C36 | C27 | O26 | 3.7° | 57.5° |
| O37 | C36 | C27 | O28 | 130.0° | 177.5° |
| O37 | C36 | C27 | H35 | 112.9° | 62.5° |
| O37 | C36 | C34 | H42 | 56.7° | 57.0° |
| C09 | C18 | O19 | H27 | 119.8° | 120.0° |
| C09 | C18 | O19 | H28 | 119.8° | 120.0° |
| C09 | C18 | O19 | C20 | 126.2° | 180.0° |
| C18 | C09 | C42 | O43 | 72.3° | 180.0° |
| C18 | C09 | C08 | H8 | 85.6° | 180.0° |
| C18 | C09 | C08 | H9 | 155.5° | 60.0° |
| C18 | C09 | C10 | H10 | 86.5° | 180.0° |
| C18 | C09 | C10 | H11 | 32.5° | 59.9° |
| C09 | C18 | H27 | H28 | 120.6° | 120.0° |
| C18 | C09 | C42 | H50 | 167.9° | 60.1° |
| C18 | C09 | C42 | H51 | 47.5° | 60.0° |
| C42 | C09 | C18 | O19 | 43.0° | 180.0° |
| C09 | C42 | O43 | H50 | 119.8° | 119.9° |
| C09 | C42 | O43 | H51 | 119.9° | 120.1° |
| C09 | C42 | O43 | C44 | 170.3° | 180.0° |
| C42 | C09 | C08 | H8 | 34.3° | 60.0° |
| C42 | C09 | C08 | H9 | 84.7° | 180.0° |
| C42 | C09 | C10 | H10 | 32.5° | 59.9° |
| C42 | C09 | C10 | H11 | 151.4° | 180.0° |
| C42 | C09 | C18 | H27 | 76.8° | 60.0° |
| C42 | C09 | C18 | H28 | 162.8° | 60.0° |
| C09 | C42 | H50 | H51 | 120.5° | 120.0° |
| O41 | C40 | C20 | C38 | 120.1° | 119.9° |
| O41 | C40 | C20 | H48 | 119.2° | 120.2° |
| O41 | C40 | C20 | O19 | 144.0° | 62.5° |
| O41 | C40 | C20 | O21 | 95.3° | 177.5° |
| O41 | C40 | C38 | H48 | 119.3° | 120.2° |
| O41 | C40 | C38 | C25 | 57.0° | 176.9° |
| O41 | C40 | C38 | O39 | 176.4° | 63.2° |
| O41 | C40 | C20 | H29 | 25.0° | 57.4° |
| O41 | C40 | C38 | H46 | 63.9° | 57.0° |
| C18 | O19 | C20 | C40 | 130.2° | 175.0° |
| C18 | O19 | C20 | O21 | 106.3° | 65.1° |
| O19 | C18 | H27 | H28 | 120.6° | 120.0° |
| C18 | O19 | C20 | H29 | 12.0° | 55.0° |
| C34 | C36 | C27 | H44 | 120.1° | 119.9° |
| C36 | C34 | C32 | H42 | 120.4° | 119.9° |
| C36 | C34 | C32 | O33 | 170.5° | 176.9° |
| C36 | C34 | C32 | C29 | 49.2° | 57.0° |
| C34 | C36 | C27 | O26 | 118.1° | 62.4° |
| C34 | C36 | C27 | O28 | 8.2° | 57.6° |
| C34 | C36 | C27 | H35 | 125.4° | 177.6° |
| C36 | C34 | C32 | H40 | 70.7° | 62.9° |
| C36 | C34 | O35 | H43 | 180.0° | 60.4° |
| C34 | C36 | O37 | H45 | 180.0° | 180.0° |
| C27 | C36 | C34 | C32 | 55.1° | 57.0° |
| C36 | C27 | O26 | O28 | 127.0° | 120.0° |
| C36 | C27 | O26 | H35 | 115.5° | 120.0° |
| C36 | C27 | O26 | C25 | 92.0° | 167.4° |
| C36 | C27 | O28 | H35 | 117.0° | 120.0° |
| C36 | C27 | O28 | C29 | 44.4° | 61.2° |
| C27 | C36 | C34 | H42 | 65.2° | 62.9° |
| C27 | C36 | O37 | H45 | 55.9° | 60.3° |
| C40 | C20 | O19 | O21 | 123.5° | 119.9° |
| C40 | C20 | O19 | H29 | 118.2° | 120.0° |
| C40 | C20 | O21 | H29 | 120.1° | 120.0° |
| C20 | C40 | C38 | H48 | 120.5° | 119.9° |
| C40 | C20 | O21 | C22 | 32.2° | 61.2° |
| C20 | C40 | C38 | C25 | 63.2° | 57.0° |
| C20 | C40 | C38 | O39 | 56.2° | 176.9° |
| C20 | C40 | C38 | H46 | 175.9° | 63.0° |
| C20 | C40 | O41 | H49 | 180.0° | 60.0° |
| O19 | C20 | O21 | H29 | 118.9° | 120.0° |
| O19 | C20 | C40 | C38 | 96.0° | 177.6° |
| O19 | C20 | O21 | C22 | 153.2° | 178.9° |
| C20 | O19 | C18 | H27 | 114.0° | 60.0° |
| C20 | O19 | C18 | H28 | 6.4° | 60.0° |
| O19 | C20 | C40 | H48 | 24.7° | 57.7° |
| O21 | C20 | C40 | C38 | 24.8° | 57.6° |
| C20 | O21 | C22 | C25 | 54.6° | 61.2° |
| C20 | O21 | C22 | C23 | 174.8° | 178.8° |
| C20 | O21 | C22 | H30 | 67.1° | 58.8° |
| O21 | C20 | C40 | H48 | 145.5° | 62.3° |
| C34 | C32 | O33 | C29 | 123.8° | 119.7° |
| C34 | C32 | O33 | H40 | 118.4° | 120.2° |
| C34 | C32 | C29 | H40 | 120.1° | 119.9° |
| C34 | C32 | C29 | C30 | 117.8° | 177.6° |
| C34 | C32 | C29 | O28 | 3.5° | 57.6° |
| C34 | C32 | C29 | H36 | 124.6° | 62.4° |
| C34 | C32 | O33 | H41 | 180.0° | 60.3° |
| C32 | C34 | O35 | H43 | 58.2° | 180.0° |
| C32 | C34 | C36 | H44 | 64.6° | 62.9° |
| C40 | C38 | C25 | O26 | 80.9° | 176.9° |
| C40 | C38 | C25 | C22 | 40.7° | 57.0° |
| C40 | C38 | C25 | O39 | 119.1° | 119.9° |
| C40 | C38 | C25 | H46 | 120.9° | 119.9° |
| C40 | C38 | O39 | H46 | 119.5° | 120.2° |
| C38 | C40 | C20 | H29 | 145.1° | 62.5° |
| C40 | C38 | C25 | H34 | 160.8° | 62.9° |
| C40 | C38 | O39 | H47 | 180.0° | 60.4° |
| C38 | C40 | O41 | H49 | 57.8° | 179.7° |
| C42 | O43 | C44 | O45 | 116.3° | 65.1° |
| C42 | O43 | C44 | C64 | 119.0° | 175.0° |
| O43 | C42 | H50 | H51 | 120.4° | 120.0° |
| C42 | O43 | C44 | H52 | 1.8° | 54.9° |
| O21 | C22 | C25 | O26 | 137.0° | 177.6° |
| O21 | C22 | C25 | C23 | 120.1° | 120.0° |
| O21 | C22 | C25 | H30 | 121.8° | 120.0° |
| O21 | C22 | C23 | H30 | 118.3° | 120.0° |
| O21 | C22 | C25 | C38 | 16.2° | 57.6° |
| O21 | C22 | C23 | O24 | 7.8° | 64.3° |
| C22 | O21 | C20 | H29 | 87.9° | 58.9° |
| O21 | C22 | C23 | H31 | 112.0° | 175.7° |
| O21 | C22 | C23 | H32 | 127.6° | 55.7° |
| O21 | C22 | C25 | H34 | 104.1° | 62.2° |
| O43 | C44 | O45 | C64 | 121.6° | 120.0° |
| O43 | C44 | O45 | H52 | 118.8° | 120.0° |
| O43 | C44 | O45 | C46 | 171.5° | 178.8° |
| O43 | C44 | C64 | H52 | 118.3° | 120.0° |
| O43 | C44 | C64 | C62 | 122.3° | 177.6° |
| O43 | C44 | C64 | O65 | 117.9° | 62.5° |
| C44 | O43 | C42 | H50 | 50.4° | 60.0° |
| C44 | O43 | C42 | H51 | 69.9° | 60.0° |
| O43 | C44 | C64 | H71 | 1.0° | 57.7° |
| O33 | C32 | C29 | H40 | 118.6° | 120.1° |
| O33 | C32 | C29 | C30 | 121.0° | 62.5° |
| O33 | C32 | C29 | O28 | 117.8° | 177.5° |
| O33 | C32 | C29 | H36 | 3.4° | 57.6° |
| O33 | C32 | C34 | H42 | 50.0° | 57.0° |
| C32 | C29 | O28 | C27 | 50.4° | 61.1° |
| C32 | C29 | C30 | O31 | 52.8° | 175.1° |
| C32 | C29 | C30 | O28 | 124.3° | 119.9° |
| C32 | C29 | C30 | H36 | 117.3° | 120.0° |
| C32 | C29 | O28 | H36 | 120.7° | 120.0° |
| C32 | C29 | C30 | H37 | 172.6° | 55.0° |
| C32 | C29 | C30 | H38 | 67.0° | 64.9° |
| C29 | C32 | O33 | H41 | 56.2° | 180.0° |
| C29 | C32 | C34 | H42 | 71.3° | 62.9° |
| O26 | C27 | O28 | H35 | 118.2° | 120.0° |
| C27 | O26 | C25 | C22 | 57.9° | 155.5° |
| C27 | O26 | C25 | C38 | 178.8° | 84.8° |
| O26 | C27 | O28 | C29 | 169.2° | 58.8° |
| C27 | O26 | C25 | H34 | 60.6° | 35.3° |
| O26 | C27 | C36 | H44 | 121.9° | 177.7° |
| C25 | O26 | C27 | O28 | 35.0° | 72.6° |
| O26 | C25 | C22 | C38 | 120.8° | 120.0° |
| O26 | C25 | C22 | H34 | 118.9° | 120.2° |
| O26 | C25 | C22 | C23 | 102.9° | 62.5° |
| O26 | C25 | C38 | H34 | 118.3° | 120.2° |
| O26 | C25 | C38 | O39 | 160.0° | 63.2° |
| O26 | C25 | C22 | H30 | 15.2° | 57.6° |
| C25 | O26 | C27 | H35 | 152.4° | 47.4° |
| O26 | C25 | C38 | H46 | 40.0° | 57.0° |
| C27 | O28 | C29 | C30 | 70.7° | 178.8° |
| C27 | O28 | C29 | H36 | 171.1° | 58.8° |
| O28 | C27 | C36 | H44 | 111.8° | 62.3° |
| C25 | C22 | C23 | H30 | 118.0° | 120.0° |
| C22 | C25 | C38 | H34 | 120.1° | 119.9° |
| C22 | C25 | C38 | O39 | 78.4° | 176.9° |
| C25 | C22 | C23 | O24 | 115.8° | 175.7° |
| C25 | C22 | C23 | H31 | 124.4° | 55.7° |
| C25 | C22 | C23 | H32 | 4.0° | 64.3° |
| C22 | C25 | C38 | H46 | 161.6° | 62.9° |
| C23 | C22 | C25 | C38 | 136.3° | 177.6° |
| C22 | C23 | O24 | H31 | 119.8° | 120.0° |
| C22 | C23 | O24 | H32 | 119.8° | 120.0° |
| C22 | C23 | H31 | H32 | 120.6° | 120.0° |
| C22 | C23 | O24 | H33 | 180.0° | 180.0° |
| C23 | C22 | C25 | H34 | 16.0° | 57.7° |
| C25 | C38 | O39 | H46 | 119.8° | 120.2° |
| C38 | C25 | C22 | H30 | 105.6° | 62.4° |
| C25 | C38 | O39 | H47 | 59.3° | 180.0° |
| C25 | C38 | C40 | H48 | 176.2° | 62.9° |
| O39 | C38 | C25 | H34 | 41.7° | 57.0° |
| O39 | C38 | C40 | H48 | 64.4° | 57.0° |
| O45 | C44 | C64 | H52 | 119.8° | 120.0° |
| C44 | O45 | C46 | C47 | 167.6° | 178.9° |
| C44 | O45 | C46 | C49 | 45.6° | 61.2° |
| O45 | C44 | C64 | C62 | 0.4° | 57.6° |
| O45 | C44 | C64 | O65 | 120.1° | 177.6° |
| C44 | O45 | C46 | H53 | 74.6° | 58.8° |
| O45 | C44 | C64 | H71 | 120.9° | 62.3° |
| C46 | O45 | C44 | C64 | 49.9° | 61.2° |
| O45 | C46 | C47 | O48 | 108.2° | 64.3° |
| O45 | C46 | C47 | C49 | 124.7° | 119.9° |
| O45 | C46 | C47 | H53 | 118.0° | 120.0° |
| O45 | C46 | C49 | H53 | 120.6° | 120.0° |
| O45 | C46 | C49 | C62 | 7.0° | 57.6° |
| O45 | C46 | C49 | O50 | 113.4° | 177.5° |
| C46 | O45 | C44 | H52 | 69.7° | 58.9° |
| O45 | C46 | C47 | H54 | 11.7° | 175.7° |
| O45 | C46 | C47 | H55 | 131.9° | 55.7° |
| O45 | C46 | C49 | H57 | 127.9° | 62.3° |
| O24 | C23 | C22 | H30 | 126.1° | 55.7° |
| O24 | C23 | H31 | H32 | 120.6° | 120.0° |
| C44 | C64 | C62 | O63 | 66.2° | 176.9° |
| C44 | C64 | C62 | O65 | 119.4° | 119.9° |
| C44 | C64 | C62 | H71 | 121.0° | 119.9° |
| C44 | C64 | O65 | H71 | 118.3° | 120.1° |
| C44 | C64 | C62 | C49 | 52.5° | 56.9° |
| C44 | C64 | C62 | H69 | 173.5° | 62.9° |
| C44 | C64 | O65 | H72 | 180.0° | 60.0° |
| O31 | C30 | C29 | H37 | 119.8° | 120.0° |
| O31 | C30 | C29 | H38 | 119.8° | 120.0° |
| O31 | C30 | C29 | O28 | 177.2° | 65.0° |
| O31 | C30 | C29 | H36 | 64.5° | 55.0° |
| O31 | C30 | H37 | H38 | 120.6° | 120.0° |
| C30 | C29 | O28 | H36 | 118.2° | 120.0° |
| C29 | C30 | H37 | H38 | 120.6° | 120.0° |
| C29 | C30 | O31 | H39 | 180.0° | 180.0° |
| C30 | C29 | C32 | H40 | 2.3° | 57.7° |
| C29 | O28 | C27 | H35 | 72.6° | 178.8° |
| O28 | C29 | C30 | H37 | 63.1° | 175.0° |
| O28 | C29 | C30 | H38 | 57.4° | 55.0° |
| O28 | C29 | C32 | H40 | 123.6° | 62.3° |
| O48 | C47 | C46 | H54 | 119.9° | 120.0° |
| O48 | C47 | C46 | H55 | 119.9° | 120.1° |
| O48 | C47 | C46 | C49 | 127.2° | 175.8° |
| O48 | C47 | C46 | H53 | 9.8° | 55.7° |
| O48 | C47 | H54 | H55 | 120.4° | 120.0° |
| C47 | C46 | C49 | H53 | 117.7° | 120.1° |
| C47 | C46 | C49 | C62 | 114.7° | 177.5° |
| C47 | C46 | C49 | O50 | 124.8° | 62.6° |
| C46 | C47 | H54 | H55 | 120.4° | 120.0° |
| C46 | C47 | O48 | H56 | 180.0° | 179.9° |
| C47 | C46 | C49 | H57 | 6.2° | 57.6° |
| C46 | C49 | C62 | O63 | 62.1° | 177.0° |
| C46 | C49 | C62 | C64 | 56.6° | 57.0° |
| C46 | C49 | C62 | O50 | 119.8° | 119.9° |
| C46 | C49 | C62 | H57 | 120.5° | 119.9° |
| C46 | C49 | O50 | H57 | 117.9° | 120.2° |
| C46 | C49 | O50 | C51 | 171.8° | 155.4° |
| C49 | C46 | C47 | H54 | 113.0° | 55.8° |
| C49 | C46 | C47 | H55 | 7.3° | 64.2° |
| C46 | C49 | C62 | H69 | 177.6° | 62.9° |
| O63 | C62 | C64 | C49 | 118.6° | 119.9° |
| O63 | C62 | C64 | H69 | 120.4° | 120.2° |
| O63 | C62 | C64 | O65 | 174.4° | 63.2° |
| O63 | C62 | C49 | H69 | 120.3° | 120.1° |
| O63 | C62 | C49 | O50 | 178.1° | 63.1° |
| O63 | C62 | C49 | H57 | 58.4° | 57.0° |
| O63 | C62 | C64 | H71 | 54.8° | 57.0° |
| C62 | C64 | O65 | H71 | 119.2° | 120.2° |
| C64 | C62 | C49 | H69 | 121.0° | 119.9° |
| C64 | C62 | C49 | O50 | 63.2° | 176.9° |
| C62 | C64 | C44 | H52 | 119.4° | 62.4° |
| C64 | C62 | C49 | H57 | 177.1° | 63.0° |
| C64 | C62 | O63 | H70 | 180.0° | 60.4° |
| C62 | C64 | O65 | H72 | 57.5° | 179.7° |
| O65 | C64 | C62 | C49 | 67.0° | 176.9° |
| O65 | C64 | C44 | H52 | 0.3° | 57.5° |
| O65 | C64 | C62 | H69 | 54.0° | 57.0° |
| C62 | C49 | O50 | H57 | 119.5° | 120.2° |
| C62 | C49 | O50 | C51 | 65.7° | 84.9° |
| C62 | C49 | C46 | H53 | 127.6° | 62.4° |
| C49 | C62 | O63 | H70 | 60.3° | 180.0° |
| C49 | C62 | C64 | H71 | 173.4° | 62.9° |
| C49 | O50 | C51 | O52 | 51.4° | 72.6° |
| C49 | O50 | C51 | C60 | 175.8° | 167.4° |
| O50 | C49 | C46 | H53 | 7.2° | 57.5° |
| C49 | O50 | C51 | H58 | 67.0° | 47.5° |
| O50 | C49 | C62 | H69 | 57.8° | 57.0° |
| O50 | C51 | O52 | C60 | 121.3° | 120.0° |
| O50 | C51 | O52 | H58 | 119.2° | 120.0° |
| O50 | C51 | C60 | H58 | 118.2° | 120.0° |
| O50 | C51 | O52 | C53 | 146.8° | 58.8° |
| O50 | C51 | C60 | O61 | 50.4° | 57.5° |
| O50 | C51 | C60 | C58 | 171.4° | 62.4° |
| C51 | O50 | C49 | H57 | 53.9° | 35.3° |
| O50 | C51 | C60 | H67 | 67.5° | 177.7° |
| O52 | C51 | C60 | H58 | 119.8° | 120.0° |
| O52 | C51 | C60 | O61 | 71.5° | 177.5° |
| O52 | C51 | C60 | C58 | 49.5° | 57.7° |
| C51 | O52 | C53 | C54 | 143.1° | 178.8° |
| C51 | O52 | C53 | C56 | 21.3° | 61.2° |
| C51 | O52 | C53 | H59 | 99.4° | 58.8° |
| O52 | C51 | C60 | H67 | 170.5° | 62.3° |
| C60 | C51 | O52 | C53 | 25.5° | 61.2° |
| C51 | C60 | O61 | C58 | 124.6° | 119.7° |
| C51 | C60 | O61 | H67 | 117.3° | 120.2° |
| C51 | C60 | C58 | H67 | 120.8° | 119.9° |
| C51 | C60 | C58 | O59 | 97.9° | 176.8° |
| C51 | C60 | C58 | C56 | 24.2° | 57.0° |
| C51 | C60 | C58 | H65 | 145.6° | 62.9° |
| C51 | C60 | O61 | H68 | 180.0° | 60.1° |
| O52 | C53 | C54 | O55 | 39.8° | 65.0° |
| O52 | C53 | C54 | C56 | 125.3° | 119.9° |
| O52 | C53 | C54 | H59 | 117.8° | 120.0° |
| O52 | C53 | C56 | H59 | 121.1° | 120.0° |
| O52 | C53 | C56 | C58 | 46.6° | 57.6° |
| O52 | C53 | C56 | O57 | 167.7° | 177.5° |
| C53 | O52 | C51 | H58 | 94.0° | 178.8° |
| O52 | C53 | C54 | H60 | 80.0° | 175.0° |
| O52 | C53 | C54 | H61 | 159.7° | 55.0° |
| O52 | C53 | C56 | H63 | 74.2° | 62.3° |
| O61 | C60 | C58 | H67 | 118.4° | 120.2° |
| O61 | C60 | C58 | O59 | 141.2° | 63.3° |
| O61 | C60 | C58 | C56 | 96.7° | 176.9° |
| O61 | C60 | C51 | H58 | 168.7° | 62.5° |
| O61 | C60 | C58 | H65 | 24.8° | 57.0° |
| C60 | C58 | C56 | C53 | 22.8° | 57.0° |
| C60 | C58 | O59 | C56 | 127.6° | 119.5° |
| C60 | C58 | O59 | H65 | 116.3° | 120.4° |
| C60 | C58 | C56 | H65 | 121.5° | 120.0° |
| C60 | C58 | C56 | O57 | 144.1° | 176.9° |
| C58 | C60 | C51 | H58 | 70.3° | 177.7° |
| C60 | C58 | C56 | H63 | 97.8° | 62.9° |
| C60 | C58 | O59 | H66 | 180.0° | 60.5° |
| C58 | C60 | O61 | H68 | 55.4° | 179.7° |
| O55 | C54 | C53 | H60 | 119.8° | 120.1° |
| O55 | C54 | C53 | H61 | 119.8° | 119.9° |
| O55 | C54 | C53 | C56 | 165.1° | 175.1° |
| O55 | C54 | C53 | H59 | 78.0° | 55.1° |
| O55 | C54 | H60 | H61 | 120.6° | 120.0° |
| C54 | C53 | C56 | H59 | 117.2° | 120.0° |
| C54 | C53 | C56 | C58 | 168.4° | 177.6° |
| C54 | C53 | C56 | O57 | 70.6° | 62.5° |
| C53 | C54 | H60 | H61 | 120.6° | 120.0° |
| C53 | C54 | O55 | H62 | 180.0° | 180.0° |
| C54 | C53 | C56 | H63 | 47.5° | 57.7° |
| C53 | C56 | C58 | O59 | 145.1° | 176.8° |
| C53 | C56 | C58 | O57 | 121.4° | 119.9° |
| C53 | C56 | C58 | H63 | 120.5° | 119.9° |
| C53 | C56 | O57 | H63 | 117.4° | 120.1° |
| C56 | C53 | C54 | H60 | 45.3° | 55.0° |
| C56 | C53 | C54 | H61 | 75.0° | 65.0° |
| C53 | C56 | O57 | H64 | 180.0° | 180.0° |
| C53 | C56 | C58 | H65 | 98.7° | 63.0° |
| O59 | C58 | C56 | H65 | 116.2° | 120.2° |
| O59 | C58 | C56 | O57 | 93.5° | 63.3° |
| O59 | C58 | C56 | H63 | 24.6° | 56.9° |
| O59 | C58 | C60 | H67 | 22.9° | 56.9° |
| C58 | C56 | O57 | H63 | 117.8° | 120.2° |
| C58 | C56 | C53 | H59 | 74.5° | 62.4° |
| C58 | C56 | O57 | H64 | 55.2° | 60.3° |
| C56 | C58 | O59 | H66 | 52.4° | 180.0° |
| C56 | C58 | C60 | H67 | 145.0° | 62.9° |
| O57 | C56 | C53 | H59 | 46.6° | 57.5° |
| O57 | C56 | C58 | H65 | 22.7° | 56.9° |
| H1 | C05 | H2 | C1 | 122.7° | 120.0° |
| H1 | C05 | C06 | H4 | 0.2° | 60.0° |
| H1 | C05 | C06 | H5 | 119.4° | 180.0° |
| H1 | C05 | C1 | C2 | 90.0° | 59.9° |
| H1 | C05 | C1 | H3 | 90.0° | 180.0° |
| H1 | C05 | C1 | H73 | 90.0° | 60.0° |
| H2 | C05 | C06 | H4 | 122.1° | 180.0° |
| H2 | C05 | C06 | H5 | 118.7° | 60.0° |
| H2 | C05 | C1 | C2 | 90.0° | 60.0° |
| H2 | C05 | C1 | H3 | 90.0° | 60.1° |
| H2 | C05 | C1 | H73 | 90.0° | 179.9° |
| H4 | C06 | C07 | H6 | 67.1° | 180.0° |
| H4 | C06 | C07 | H7 | 52.0° | 60.0° |
| H4 | C06 | C05 | C1 | 118.8° | 60.1° |
| H5 | C06 | C07 | H6 | 173.7° | 59.9° |
| H5 | C06 | C07 | H7 | 67.2° | 180.0° |
| H5 | C06 | C05 | C1 | 0.3° | 60.0° |
| H6 | C07 | C08 | H8 | 154.4° | 180.0° |
| H6 | C07 | C08 | H9 | 86.7° | 60.0° |
| H7 | C07 | C08 | H8 | 35.3° | 60.0° |
| H7 | C07 | C08 | H9 | 154.2° | 180.0° |
| H10 | C10 | C11 | H12 | 95.6° | 180.0° |
| H10 | C10 | C11 | H13 | 145.1° | 59.9° |
| H11 | C10 | C11 | H12 | 23.3° | 59.9° |
| H11 | C10 | C11 | H13 | 95.9° | 180.0° |
| H12 | C11 | C12 | H14 | 148.1° | 180.0° |
| H12 | C11 | C12 | H15 | 92.8° | 60.0° |
| H13 | C11 | C12 | H14 | 28.8° | 60.0° |
| H13 | C11 | C12 | H15 | 147.9° | 180.0° |
| H14 | C12 | C13 | H16 | 58.6° | 180.0° |
| H14 | C12 | C13 | H17 | 60.7° | 60.0° |
| H15 | C12 | C13 | H16 | 177.7° | 60.0° |
| H15 | C12 | C13 | H17 | 58.4° | 180.0° |
| H16 | C13 | C14 | H18 | 165.6° | 179.9° |
| H16 | C13 | C14 | H19 | 46.5° | 60.0° |
| H17 | C13 | C14 | H18 | 75.1° | 60.0° |
| H17 | C13 | C14 | H19 | 165.8° | 179.9° |
| H18 | C14 | C15 | H20 | 141.7° | 180.0° |
| H18 | C14 | C15 | H21 | 99.1° | 60.0° |
| H19 | C14 | C15 | H20 | 22.6° | 60.0° |
| H19 | C14 | C15 | H21 | 141.8° | 180.0° |
| H20 | C15 | C16 | H22 | 176.4° | 179.9° |
| H20 | C15 | C16 | H23 | 64.5° | 60.0° |
| H21 | C15 | C16 | H22 | 57.2° | 60.0° |
| H21 | C15 | C16 | H23 | 176.3° | 180.0° |
| H22 | C16 | C17 | H24 | 59.5° | 60.0° |
| H22 | C16 | C17 | H25 | 60.4° | 179.9° |
| H22 | C16 | C17 | H26 | 179.6° | 60.0° |
| H23 | C16 | C17 | H24 | 59.6° | 59.9° |
| H23 | C16 | C17 | H25 | 179.5° | 60.0° |
| H23 | C16 | C17 | H26 | 60.4° | 179.9° |
| H24 | C17 | H25 | H26 | 120.0° | 120.0° |
| H29 | C20 | C40 | H48 | 94.2° | 177.6° |
| H30 | C22 | C23 | H31 | 6.3° | 64.3° |
| H30 | C22 | C23 | H32 | 114.1° | 175.7° |
| H30 | C22 | C25 | H34 | 134.1° | 177.7° |
| H31 | C23 | O24 | H33 | 60.2° | 60.0° |
| H32 | C23 | O24 | H33 | 60.2° | 60.0° |
| H34 | C25 | C38 | H46 | 78.3° | 177.2° |
| H35 | C27 | C36 | H44 | 5.3° | 57.7° |
| H36 | C29 | C30 | H37 | 55.3° | 65.0° |
| H36 | C29 | C30 | H38 | 175.7° | 175.0° |
| H36 | C29 | C32 | H40 | 115.3° | 177.7° |
| H37 | C30 | O31 | H39 | 60.2° | 59.9° |
| H38 | C30 | O31 | H39 | 60.2° | 60.0° |
| H40 | C32 | O33 | H41 | 61.7° | 59.9° |
| H40 | C32 | C34 | H42 | 168.9° | 177.2° |
| H42 | C34 | O35 | H43 | 60.7° | 59.8° |
| H42 | C34 | C36 | H44 | 175.1° | 177.2° |
| H44 | C36 | O37 | H45 | 61.7° | 59.8° |
| H46 | C38 | O39 | H47 | 60.5° | 59.8° |
| H46 | C38 | C40 | H48 | 55.3° | 177.1° |
| H48 | C40 | O41 | H49 | 61.2° | 60.2° |
| H52 | C44 | C64 | H71 | 119.3° | 177.7° |
| H53 | C46 | C47 | H54 | 129.7° | 64.3° |
| H53 | C46 | C47 | H55 | 110.1° | 175.8° |
| H53 | C46 | C49 | H57 | 111.5° | 177.7° |
| H54 | C47 | O48 | H56 | 60.1° | 60.0° |
| H55 | C47 | O48 | H56 | 60.2° | 60.0° |
| H57 | C49 | C62 | H69 | 61.9° | 177.1° |
| H58 | C51 | C60 | H67 | 50.8° | 57.7° |
| H59 | C53 | C54 | H60 | 162.2° | 65.0° |
| H59 | C53 | C54 | H61 | 41.9° | 175.0° |
| H59 | C53 | C56 | H63 | 164.7° | 177.7° |
| H60 | C54 | O55 | H62 | 60.2° | 60.0° |
| H61 | C54 | O55 | H62 | 60.2° | 60.1° |
| H63 | C56 | O57 | H64 | 62.5° | 59.9° |
| H63 | C56 | C58 | H65 | 140.8° | 177.1° |
| H65 | C58 | O59 | H66 | 63.7° | 59.9° |
| H65 | C58 | C60 | H67 | 93.6° | 177.2° |
| H67 | C60 | O61 | H68 | 62.7° | 60.1° |
| H69 | C62 | O63 | H70 | 59.8° | 59.9° |
| H69 | C62 | C64 | H71 | 65.5° | 177.2° |
| H71 | C64 | O65 | H72 | 61.7° | 60.1° |
| C05 | C1 | C2 | H3 | 90.0° | 120.1° |
| C05 | C1 | C2 | H73 | 90.0° | 120.0° |
| C05 | C1 | C2 | C3 | 90.0° | 180.0° |
| C05 | C1 | H3 | H73 | 90.0° | 120.0° |
| C05 | C1 | C2 | H74 | 90.0° | 60.0° |
| C05 | C1 | C2 | H75 | 90.0° | 60.0° |
| C1 | C2 | C3 | H74 | 90.0° | 120.0° |
| C1 | C2 | C3 | H75 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C2 | C1 | H3 | H73 | 90.0° | 119.9° |
| C1 | C2 | H74 | H75 | 90.0° | 119.9° |
| C1 | C2 | C3 | H76 | 90.0° | 60.0° |
| C1 | C2 | C3 | H77 | 90.0° | 60.0° |
| C2 | C3 | C4 | H76 | 90.0° | 120.0° |
| C2 | C3 | C4 | H77 | 90.0° | 120.0° |
| C3 | C2 | C1 | H3 | 90.0° | 60.0° |
| C3 | C2 | C1 | H73 | 90.0° | 60.0° |
| C3 | C2 | H74 | H75 | 90.0° | 120.1° |
| C2 | C3 | H76 | H77 | 90.0° | 120.0° |
| C2 | C3 | C4 | H78 | 90.0° | 60.0° |
| C2 | C3 | C4 | H79 | 90.0° | 60.0° |
| C2 | C3 | C4 | H80 | 90.0° | 180.0° |
| C4 | C3 | C2 | H74 | 90.0° | 60.0° |
| C4 | C3 | C2 | H75 | 90.0° | 60.0° |
| C4 | C3 | H76 | H77 | 90.0° | 120.0° |
| C3 | C4 | H78 | H79 | 90.0° | 120.0° |
| C3 | C4 | H78 | H80 | 90.0° | 120.0° |
| C3 | C4 | H79 | H80 | 90.0° | 120.0° |
| H3 | C1 | C2 | H74 | 90.0° | 180.0° |
| H3 | C1 | C2 | H75 | 90.0° | 60.1° |
| H73 | C1 | C2 | H74 | 90.0° | 60.0° |
| H73 | C1 | C2 | H75 | 90.0° | 179.9° |
| H74 | C2 | C3 | H76 | 90.0° | 180.0° |
| H74 | C2 | C3 | H77 | 90.0° | 60.0° |
| H75 | C2 | C3 | H76 | 90.0° | 60.0° |
| H75 | C2 | C3 | H77 | 90.0° | 180.0° |
| H76 | C3 | C4 | H78 | 90.0° | 179.9° |
| H76 | C3 | C4 | H79 | 90.0° | 59.9° |
| H76 | C3 | C4 | H80 | 90.0° | 60.0° |
| H77 | C3 | C4 | H78 | 90.0° | 60.0° |
| H77 | C3 | C4 | H79 | 90.0° | 180.0° |
| H77 | C3 | C4 | H80 | 90.0° | 60.0° |
| H78 | C4 | H79 | H80 | 90.0° | 120.0° |
