Obsolete: 4CQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C23 | sing | 1.45Å | 1.45Å | |
| O32 | C32 | sing | 1.42Å | 1.42Å | |
| O22 | C22 | sing | 1.42Å | 1.42Å | |
| O33 | C33 | sing | 1.43Å | 1.43Å | |
| C22 | C32 | sing | 1.53Å | 1.53Å | |
| C22 | C12 | sing | 1.52Å | 1.52Å | |
| C23 | C33 | sing | 1.54Å | 1.54Å | |
| C23 | C13 | sing | 1.50Å | 1.50Å | |
| C32 | C42 | sing | 1.52Å | 1.52Å | |
| C33 | C43 | sing | 1.50Å | 1.50Å | |
| C42 | O42 | sing | 1.44Å | 1.44Å | |
| C42 | C52 | sing | 1.52Å | 1.52Å | |
| C13 | O42 | sing | 1.42Å | 1.42Å | |
| C13 | O53 | sing | 1.44Å | 1.44Å | |
| O31 | C31 | sing | 1.44Å | 1.44Å | |
| O24 | C24 | sing | 1.43Å | 1.43Å | |
| C12 | O52 | sing | 1.43Å | 1.43Å | |
| C12 | O41 | sing | 1.42Å | 1.42Å | |
| O52 | C52 | sing | 1.46Å | 1.46Å | |
| C43 | O43 | sing | 1.41Å | 1.41Å | |
| C43 | C53 | sing | 1.54Å | 1.54Å | |
| O41 | C41 | sing | 1.44Å | 1.44Å | |
| C52 | C62 | sing | 1.54Å | 1.54Å | |
| O53 | C53 | sing | 1.43Å | 1.43Å | |
| C31 | C41 | sing | 1.53Å | 1.53Å | |
| C31 | C21 | sing | 1.52Å | 1.52Å | |
| C24 | C14 | sing | 1.53Å | 1.53Å | |
| C24 | C34 | sing | 1.52Å | 1.52Å | |
| C62 | O62 | sing | 1.42Å | 1.42Å | |
| C41 | C51 | sing | 1.55Å | 1.55Å | |
| O43 | C14 | sing | 1.44Å | 1.44Å | |
| C14 | O54 | sing | 1.44Å | 1.44Å | |
| C53 | C63 | sing | 1.51Å | 1.51Å | |
| O21 | C21 | sing | 1.42Å | 1.42Å | |
| C21 | C11 | sing | 1.52Å | 1.52Å | |
| O34 | C34 | sing | 1.45Å | 1.45Å | |
| C34 | C44 | sing | 1.54Å | 1.54Å | |
| O61 | C61 | sing | 1.45Å | 1.45Å | |
| C63 | O63 | sing | 1.42Å | 1.42Å | |
| C51 | C61 | sing | 1.53Å | 1.53Å | |
| C51 | O51 | sing | 1.42Å | 1.42Å | |
| O54 | C54 | sing | 1.43Å | 1.43Å | |
| C11 | O51 | sing | 1.42Å | 1.42Å | |
| C11 | O47 | sing | 1.41Å | 1.41Å | |
| O37 | C37 | sing | 1.43Å | 1.43Å | |
| C44 | C54 | sing | 1.54Å | 1.54Å | |
| C44 | O44 | sing | 1.41Å | 1.41Å | |
| O47 | C47 | sing | 1.42Å | 1.42Å | |
| C54 | C64 | sing | 1.52Å | 1.52Å | |
| O25 | C25 | sing | 1.43Å | 1.43Å | |
| O44 | C15 | sing | 1.43Å | 1.43Å | |
| C37 | C47 | sing | 1.53Å | 1.53Å | |
| C37 | C27 | sing | 1.53Å | 1.53Å | |
| C47 | C57 | sing | 1.51Å | 1.51Å | |
| C64 | O64 | sing | 1.44Å | 1.44Å | |
| O86 | C81 | sing | 1.44Å | 1.44Å | |
| O64 | C78 | sing | 1.41Å | 1.41Å | |
| O27 | C27 | sing | 1.44Å | 1.44Å | |
| C25 | C15 | sing | 1.54Å | 1.54Å | |
| C25 | C35 | sing | 1.52Å | 1.52Å | |
| C15 | O55 | sing | 1.43Å | 1.43Å | |
| C35 | O35 | sing | 1.40Å | 1.40Å | |
| C35 | C45 | sing | 1.52Å | 1.52Å | |
| C27 | C17 | sing | 1.52Å | 1.52Å | |
| C80 | C81 | sing | 1.53Å | 1.53Å | |
| C80 | O87 | sing | 1.44Å | 1.44Å | |
| C80 | C79 | sing | 1.52Å | 1.52Å | |
| C82 | C84 | sing | 1.54Å | 1.54Å | |
| C82 | C81 | sing | 1.55Å | 1.55Å | |
| C82 | O83 | sing | 1.43Å | 1.43Å | |
| C57 | C67 | sing | 1.51Å | 1.51Å | |
| C57 | O57 | sing | 1.41Å | 1.41Å | |
| C84 | O85 | sing | 1.44Å | 1.44Å | |
| O88 | C79 | sing | 1.43Å | 1.43Å | |
| O46 | C17 | sing | 1.45Å | 1.45Å | |
| O46 | C46 | sing | 1.42Å | 1.42Å | |
| O36 | C36 | sing | 1.43Å | 1.43Å | |
| C78 | C79 | sing | 1.53Å | 1.53Å | |
| C78 | O83 | sing | 1.43Å | 1.43Å | |
| C67 | O67 | sing | 1.43Å | 1.43Å | |
| O55 | C55 | sing | 1.44Å | 1.44Å | |
| C17 | O57 | sing | 1.42Å | 1.42Å | |
| C36 | C46 | sing | 1.48Å | 1.48Å | |
| C36 | C26 | sing | 1.53Å | 1.53Å | |
| C45 | C55 | sing | 1.52Å | 1.52Å | |
| C45 | O45 | sing | 1.41Å | 1.41Å | |
| C55 | C65 | sing | 1.53Å | 1.53Å | |
| O45 | C16 | sing | 1.44Å | 1.44Å | |
| O26 | C26 | sing | 1.41Å | 1.41Å | |
| C46 | C56 | sing | 1.50Å | 1.50Å | |
| C56 | C66 | sing | 1.51Å | 1.51Å | |
| C56 | O56 | sing | 1.43Å | 1.43Å | |
| C26 | C16 | sing | 1.52Å | 1.52Å | |
| O65 | C65 | sing | 1.42Å | 1.42Å | |
| C16 | O56 | sing | 1.42Å | 1.42Å | |
| C66 | O66 | sing | 1.42Å | 1.42Å | |
| O88 | H1 | sing | 0.95Å | 0.95Å | |
| C79 | H2 | sing | 1.10Å | 1.10Å | |
| C80 | H3 | sing | 1.10Å | 1.10Å | |
| O87 | H4 | sing | 0.95Å | 0.95Å | |
| C81 | H5 | sing | 1.10Å | 1.10Å | |
| O86 | H6 | sing | 0.95Å | 0.95Å | |
| C82 | H7 | sing | 1.10Å | 1.10Å | |
| C84 | H8 | sing | 1.10Å | 1.10Å | |
| C84 | H9 | sing | 1.10Å | 1.10Å | |
| O85 | H10 | sing | 0.95Å | 0.95Å | |
| C78 | H11 | sing | 1.10Å | 1.10Å | |
| C64 | H12 | sing | 1.10Å | 1.10Å | |
| C64 | H13 | sing | 1.10Å | 1.10Å | |
| C54 | H14 | sing | 1.10Å | 1.10Å | |
| C44 | H15 | sing | 1.10Å | 1.10Å | |
| C15 | H16 | sing | 1.10Å | 1.10Å | |
| C25 | H17 | sing | 1.10Å | 1.10Å | |
| O25 | H18 | sing | 0.95Å | 0.95Å | |
| C35 | H19 | sing | 1.10Å | 1.10Å | |
| O35 | H20 | sing | 0.95Å | 0.95Å | |
| C55 | H21 | sing | 1.10Å | 1.10Å | |
| C65 | H22 | sing | 1.10Å | 1.10Å | |
| C65 | H23 | sing | 1.10Å | 1.10Å | |
| O65 | H24 | sing | 0.95Å | 0.95Å | |
| C45 | H25 | sing | 1.10Å | 1.10Å | |
| C16 | H26 | sing | 1.10Å | 1.10Å | |
| C26 | H27 | sing | 1.10Å | 1.10Å | |
| O26 | H28 | sing | 0.95Å | 0.95Å | |
| C36 | H29 | sing | 1.10Å | 1.10Å | |
| O36 | H30 | sing | 0.95Å | 0.95Å | |
| C56 | H31 | sing | 1.10Å | 1.10Å | |
| C66 | H32 | sing | 1.10Å | 1.10Å | |
| C66 | H33 | sing | 1.10Å | 1.10Å | |
| O66 | H34 | sing | 0.95Å | 0.95Å | |
| C46 | H35 | sing | 1.10Å | 1.10Å | |
| C17 | H36 | sing | 1.10Å | 1.10Å | |
| C27 | H37 | sing | 1.10Å | 1.10Å | |
| O27 | H38 | sing | 0.95Å | 0.95Å | |
| C37 | H39 | sing | 1.10Å | 1.10Å | |
| O37 | H40 | sing | 0.95Å | 0.95Å | |
| C57 | H41 | sing | 1.10Å | 1.10Å | |
| C67 | H42 | sing | 1.10Å | 1.10Å | |
| C67 | H43 | sing | 1.10Å | 1.10Å | |
| O67 | H44 | sing | 0.95Å | 0.95Å | |
| C14 | H45 | sing | 1.10Å | 1.10Å | |
| C24 | H46 | sing | 1.10Å | 1.10Å | |
| O24 | H47 | sing | 0.95Å | 0.95Å | |
| C34 | H48 | sing | 1.10Å | 1.10Å | |
| O34 | H49 | sing | 0.95Å | 0.95Å | |
| C43 | H50 | sing | 1.10Å | 1.10Å | |
| C53 | H51 | sing | 1.10Å | 1.10Å | |
| C63 | H52 | sing | 1.10Å | 1.10Å | |
| C63 | H53 | sing | 1.10Å | 1.10Å | |
| O63 | H54 | sing | 0.95Å | 0.95Å | |
| C13 | H55 | sing | 1.10Å | 1.10Å | |
| C23 | H56 | sing | 1.10Å | 1.10Å | |
| O23 | H57 | sing | 0.95Å | 0.95Å | |
| C33 | H58 | sing | 1.10Å | 1.10Å | |
| O33 | H59 | sing | 0.95Å | 0.95Å | |
| C42 | H60 | sing | 1.10Å | 1.10Å | |
| C52 | H61 | sing | 1.10Å | 1.10Å | |
| C62 | H62 | sing | 1.10Å | 1.10Å | |
| C62 | H63 | sing | 1.10Å | 1.10Å | |
| O62 | H64 | sing | 0.95Å | 0.95Å | |
| C12 | H65 | sing | 1.10Å | 1.10Å | |
| C22 | H66 | sing | 1.10Å | 1.10Å | |
| O22 | H67 | sing | 0.95Å | 0.95Å | |
| C32 | H68 | sing | 1.10Å | 1.10Å | |
| O32 | H69 | sing | 0.95Å | 0.95Å | |
| C41 | H70 | sing | 1.10Å | 1.10Å | |
| C51 | H71 | sing | 1.10Å | 1.10Å | |
| C61 | H72 | sing | 1.10Å | 1.10Å | |
| C61 | H73 | sing | 1.10Å | 1.10Å | |
| O61 | H74 | sing | 0.95Å | 0.95Å | |
| C31 | H75 | sing | 1.10Å | 1.10Å | |
| O31 | H76 | sing | 0.95Å | 0.95Å | |
| C21 | H77 | sing | 1.10Å | 1.10Å | |
| O21 | H78 | sing | 0.95Å | 0.95Å | |
| C11 | H79 | sing | 1.10Å | 1.10Å | |
| C47 | H80 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C23 | C33 | 111.2° | 111.2° |
| O23 | C23 | C13 | 109.6° | 109.6° |
| O23 | C23 | H56 | 109.5° | 109.5° |
| C23 | O23 | H57 | 109.5° | 109.5° |
| O32 | C32 | C22 | 111.5° | 111.5° |
| O32 | C32 | C42 | 107.2° | 107.2° |
| O32 | C32 | H68 | 110.4° | 110.4° |
| C32 | O32 | H69 | 109.5° | 109.5° |
| O22 | C22 | C32 | 109.5° | 109.5° |
| O22 | C22 | C12 | 110.4° | 110.4° |
| O22 | C22 | H66 | 109.9° | 109.9° |
| C22 | O22 | H67 | 109.5° | 109.5° |
| O33 | C33 | C23 | 109.4° | 109.4° |
| O33 | C33 | C43 | 110.7° | 110.7° |
| O33 | C33 | H58 | 109.5° | 109.5° |
| C33 | O33 | H59 | 109.5° | 109.5° |
| C32 | C22 | C12 | 110.1° | 110.1° |
| C22 | C32 | C42 | 109.8° | 109.8° |
| C32 | C22 | H66 | 108.4° | 108.4° |
| C22 | C32 | H68 | 108.9° | 108.9° |
| C22 | C12 | O52 | 110.9° | 110.9° |
| C22 | C12 | O41 | 111.2° | 111.2° |
| C22 | C12 | H65 | 108.1° | 108.1° |
| C12 | C22 | H66 | 108.6° | 108.6° |
| C33 | C23 | C13 | 109.6° | 109.6° |
| C23 | C33 | C43 | 110.6° | 110.6° |
| C33 | C23 | H56 | 108.2° | 108.2° |
| C23 | C33 | H58 | 108.1° | 108.1° |
| C23 | C13 | O42 | 107.0° | 107.0° |
| C23 | C13 | O53 | 114.1° | 114.1° |
| C23 | C13 | H55 | 108.8° | 108.8° |
| C13 | C23 | H56 | 108.7° | 108.7° |
| C32 | C42 | O42 | 107.6° | 107.6° |
| C32 | C42 | C52 | 112.3° | 112.3° |
| C32 | C42 | H60 | 108.8° | 108.8° |
| C42 | C32 | H68 | 109.0° | 109.0° |
| C33 | C43 | O43 | 106.9° | 106.9° |
| C33 | C43 | C53 | 116.4° | 116.4° |
| C33 | C43 | H50 | 106.9° | 106.9° |
| C43 | C33 | H58 | 108.5° | 108.5° |
| O42 | C42 | C52 | 109.4° | 109.4° |
| C42 | O42 | C13 | 113.1° | 113.1° |
| O42 | C42 | H60 | 109.9° | 109.9° |
| C42 | C52 | O52 | 112.4° | 112.4° |
| C42 | C52 | C62 | 108.7° | 108.7° |
| C52 | C42 | H60 | 108.8° | 108.8° |
| C42 | C52 | H61 | 109.5° | 109.5° |
| O42 | C13 | O53 | 107.1° | 107.1° |
| O42 | C13 | H55 | 110.0° | 110.0° |
| C13 | O53 | C53 | 116.4° | 116.4° |
| O53 | C13 | H55 | 109.7° | 109.7° |
| O31 | C31 | C41 | 108.5° | 108.5° |
| O31 | C31 | C21 | 109.2° | 109.2° |
| O31 | C31 | H75 | 110.9° | 110.9° |
| C31 | O31 | H76 | 109.5° | 109.5° |
| O24 | C24 | C14 | 109.8° | 109.8° |
| O24 | C24 | C34 | 112.1° | 112.1° |
| O24 | C24 | H46 | 109.2° | 109.2° |
| C24 | O24 | H47 | 109.5° | 109.5° |
| O52 | C12 | O41 | 107.9° | 107.9° |
| C12 | O52 | C52 | 115.9° | 115.9° |
| O52 | C12 | H65 | 109.3° | 109.3° |
| C12 | O41 | C41 | 117.4° | 117.4° |
| O41 | C12 | H65 | 109.4° | 109.4° |
| O52 | C52 | C62 | 106.7° | 106.7° |
| O52 | C52 | H61 | 110.3° | 110.3° |
| O43 | C43 | C53 | 111.9° | 111.9° |
| C43 | O43 | C14 | 117.3° | 117.3° |
| O43 | C43 | H50 | 108.0° | 108.0° |
| C43 | C53 | O53 | 114.8° | 114.8° |
| C43 | C53 | C63 | 115.6° | 115.6° |
| C53 | C43 | H50 | 106.4° | 106.4° |
| C43 | C53 | H51 | 104.0° | 104.0° |
| O41 | C41 | C31 | 105.3° | 105.3° |
| O41 | C41 | C51 | 113.7° | 113.7° |
| O41 | C41 | H70 | 110.0° | 110.0° |
| C52 | C62 | O62 | 103.7° | 103.7° |
| C62 | C52 | H61 | 109.3° | 109.3° |
| C52 | C62 | H62 | 110.9° | 110.9° |
| C52 | C62 | H63 | 110.9° | 110.9° |
| O53 | C53 | C63 | 111.5° | 111.5° |
| O53 | C53 | H51 | 105.2° | 105.2° |
| C41 | C31 | C21 | 108.9° | 108.9° |
| C31 | C41 | C51 | 110.2° | 110.2° |
| C31 | C41 | H70 | 108.9° | 108.9° |
| C41 | C31 | H75 | 109.6° | 109.7° |
| C31 | C21 | O21 | 111.4° | 111.4° |
| C31 | C21 | C11 | 111.5° | 111.5° |
| C21 | C31 | H75 | 109.7° | 109.6° |
| C31 | C21 | H77 | 108.4° | 108.4° |
| C14 | C24 | C34 | 109.7° | 109.7° |
| C24 | C14 | O43 | 108.4° | 108.4° |
| C24 | C14 | O54 | 109.9° | 109.9° |
| C24 | C14 | H45 | 108.2° | 108.2° |
| C14 | C24 | H46 | 107.9° | 107.9° |
| C24 | C34 | O34 | 111.5° | 111.5° |
| C24 | C34 | C44 | 109.2° | 109.2° |
| C34 | C24 | H46 | 108.0° | 108.0° |
| C24 | C34 | H48 | 107.9° | 107.9° |
| O62 | C62 | H62 | 110.9° | 110.9° |
| O62 | C62 | H63 | 110.9° | 110.9° |
| C62 | O62 | H64 | 109.5° | 109.5° |
| C41 | C51 | C61 | 117.4° | 117.4° |
| C41 | C51 | O51 | 110.9° | 110.9° |
| C51 | C41 | H70 | 108.6° | 108.6° |
| C41 | C51 | H71 | 107.4° | 107.4° |
| O43 | C14 | O54 | 111.8° | 111.8° |
| O43 | C14 | H45 | 109.3° | 109.3° |
| C14 | O54 | C54 | 114.9° | 114.9° |
| O54 | C14 | H45 | 109.3° | 109.3° |
| C53 | C63 | O63 | 108.3° | 108.3° |
| C63 | C53 | H51 | 104.3° | 104.3° |
| C53 | C63 | H52 | 109.8° | 109.8° |
| C53 | C63 | H53 | 109.7° | 109.7° |
| O21 | C21 | C11 | 107.4° | 107.4° |
| O21 | C21 | H77 | 109.7° | 109.7° |
| C21 | O21 | H78 | 109.5° | 109.5° |
| C21 | C11 | O51 | 110.5° | 110.5° |
| C21 | C11 | O47 | 109.7° | 109.7° |
| C11 | C21 | H77 | 108.4° | 108.4° |
| C21 | C11 | H79 | 108.7° | 108.7° |
| O34 | C34 | C44 | 111.8° | 111.8° |
| O34 | C34 | H48 | 108.8° | 108.8° |
| C34 | O34 | H49 | 109.5° | 109.5° |
| C34 | C44 | C54 | 111.8° | 111.8° |
| C34 | C44 | O44 | 106.8° | 106.8° |
| C34 | C44 | H15 | 109.2° | 109.2° |
| C44 | C34 | H48 | 107.6° | 107.6° |
| O61 | C61 | C51 | 109.8° | 109.8° |
| O61 | C61 | H72 | 109.4° | 109.4° |
| O61 | C61 | H73 | 109.4° | 109.4° |
| C61 | O61 | H74 | 109.5° | 109.5° |
| O63 | C63 | H52 | 109.8° | 109.8° |
| O63 | C63 | H53 | 109.8° | 109.8° |
| C63 | O63 | H54 | 109.5° | 109.5° |
| C61 | C51 | O51 | 104.1° | 104.1° |
| C61 | C51 | H71 | 107.7° | 107.6° |
| C51 | C61 | H72 | 109.4° | 109.4° |
| C51 | C61 | H73 | 109.4° | 109.4° |
| C51 | O51 | C11 | 116.4° | 116.4° |
| O51 | C51 | H71 | 109.1° | 109.1° |
| O54 | C54 | C44 | 110.5° | 110.5° |
| O54 | C54 | C64 | 109.6° | 109.6° |
| O54 | C54 | H14 | 107.7° | 107.7° |
| O51 | C11 | O47 | 107.7° | 107.7° |
| O51 | C11 | H79 | 110.0° | 110.0° |
| C11 | O47 | C47 | 119.2° | 119.2° |
| O47 | C11 | H79 | 110.2° | 110.2° |
| O37 | C37 | C47 | 112.0° | 112.0° |
| O37 | C37 | C27 | 111.1° | 111.1° |
| O37 | C37 | H39 | 107.7° | 107.7° |
| C37 | O37 | H40 | 109.5° | 109.5° |
| C54 | C44 | O44 | 108.7° | 108.7° |
| C44 | C54 | C64 | 115.6° | 115.6° |
| C44 | C54 | H14 | 106.4° | 106.4° |
| C54 | C44 | H15 | 109.3° | 109.3° |
| C44 | O44 | C15 | 116.9° | 116.9° |
| O44 | C44 | H15 | 111.0° | 111.0° |
| O47 | C47 | C37 | 108.7° | 108.7° |
| O47 | C47 | C57 | 108.1° | 108.1° |
| O47 | C47 | H80 | 111.7° | 111.7° |
| C54 | C64 | O64 | 106.5° | 106.5° |
| C54 | C64 | H12 | 110.2° | 110.2° |
| C54 | C64 | H13 | 110.2° | 110.2° |
| C64 | C54 | H14 | 106.6° | 106.6° |
| O25 | C25 | C15 | 113.1° | 113.1° |
| O25 | C25 | C35 | 109.3° | 109.3° |
| O25 | C25 | H17 | 109.1° | 109.1° |
| C25 | O25 | H18 | 109.5° | 109.5° |
| O44 | C15 | C25 | 109.2° | 109.2° |
| O44 | C15 | O55 | 109.1° | 109.1° |
| O44 | C15 | H16 | 110.0° | 110.0° |
| C47 | C37 | C27 | 112.5° | 112.5° |
| C37 | C47 | C57 | 107.9° | 107.9° |
| C47 | C37 | H39 | 106.6° | 106.6° |
| C37 | C47 | H80 | 110.0° | 110.0° |
| C37 | C27 | O27 | 108.7° | 108.7° |
| C37 | C27 | C17 | 110.6° | 110.6° |
| C37 | C27 | H37 | 108.8° | 108.8° |
| C27 | C37 | H39 | 106.6° | 106.6° |
| C47 | C57 | C67 | 114.6° | 114.6° |
| C47 | C57 | O57 | 108.2° | 108.2° |
| C47 | C57 | H41 | 108.3° | 108.3° |
| C57 | C47 | H80 | 110.3° | 110.3° |
| C64 | O64 | C78 | 113.5° | 113.5° |
| O64 | C64 | H12 | 110.2° | 110.2° |
| O64 | C64 | H13 | 110.2° | 110.2° |
| O86 | C81 | C80 | 110.4° | 110.4° |
| O86 | C81 | C82 | 108.3° | 108.3° |
| O86 | C81 | H5 | 110.2° | 110.2° |
| C81 | O86 | H6 | 109.5° | 109.5° |
| O64 | C78 | C79 | 109.6° | 109.6° |
| O64 | C78 | O83 | 109.8° | 109.8° |
| O64 | C78 | H11 | 109.5° | 109.5° |
| O27 | C27 | C17 | 109.8° | 109.8° |
| O27 | C27 | H37 | 110.0° | 110.0° |
| C27 | O27 | H38 | 109.5° | 109.5° |
| C15 | C25 | C35 | 109.4° | 109.4° |
| C25 | C15 | O55 | 109.9° | 109.9° |
| C25 | C15 | H16 | 108.5° | 108.5° |
| C15 | C25 | H17 | 107.8° | 107.8° |
| C25 | C35 | O35 | 110.3° | 110.3° |
| C25 | C35 | C45 | 112.4° | 112.4° |
| C35 | C25 | H17 | 108.0° | 108.0° |
| C25 | C35 | H19 | 108.7° | 108.7° |
| C15 | O55 | C55 | 116.5° | 116.5° |
| O55 | C15 | H16 | 110.0° | 110.0° |
| O35 | C35 | C45 | 106.4° | 106.4° |
| O35 | C35 | H19 | 110.4° | 110.4° |
| C35 | O35 | H20 | 109.5° | 109.5° |
| C35 | C45 | C55 | 109.3° | 109.3° |
| C35 | C45 | O45 | 108.4° | 108.4° |
| C45 | C35 | H19 | 108.7° | 108.7° |
| C35 | C45 | H25 | 109.7° | 109.7° |
| C27 | C17 | O46 | 108.7° | 108.7° |
| C27 | C17 | O57 | 106.4° | 106.4° |
| C27 | C17 | H36 | 109.3° | 109.3° |
| C17 | C27 | H37 | 108.9° | 108.9° |
| C81 | C80 | O87 | 114.5° | 114.5° |
| C81 | C80 | C79 | 107.4° | 107.4° |
| C80 | C81 | C82 | 110.4° | 110.4° |
| C81 | C80 | H3 | 109.0° | 109.0° |
| C80 | C81 | H5 | 108.9° | 108.9° |
| O87 | C80 | C79 | 106.5° | 106.5° |
| O87 | C80 | H3 | 110.2° | 110.2° |
| C80 | O87 | H4 | 109.5° | 109.5° |
| C80 | C79 | O88 | 108.9° | 108.9° |
| C80 | C79 | C78 | 112.7° | 112.7° |
| C80 | C79 | H2 | 107.9° | 107.9° |
| C79 | C80 | H3 | 109.2° | 109.2° |
| C84 | C82 | C81 | 111.8° | 111.8° |
| C84 | C82 | O83 | 111.3° | 111.3° |
| C82 | C84 | O85 | 111.0° | 111.0° |
| C84 | C82 | H7 | 107.9° | 107.9° |
| C82 | C84 | H8 | 109.1° | 109.1° |
| C82 | C84 | H9 | 109.1° | 109.1° |
| C81 | C82 | O83 | 108.5° | 108.5° |
| C82 | C81 | H5 | 108.6° | 108.6° |
| C81 | C82 | H7 | 107.8° | 107.8° |
| C82 | O83 | C78 | 113.6° | 113.6° |
| O83 | C82 | H7 | 109.4° | 109.4° |
| C67 | C57 | O57 | 107.7° | 107.7° |
| C57 | C67 | O67 | 107.3° | 107.3° |
| C67 | C57 | H41 | 108.3° | 108.3° |
| C57 | C67 | H42 | 110.0° | 110.0° |
| C57 | C67 | H43 | 110.0° | 110.0° |
| C57 | O57 | C17 | 115.9° | 115.9° |
| O57 | C57 | H41 | 109.7° | 109.7° |
| O85 | C84 | H8 | 109.1° | 109.1° |
| O85 | C84 | H9 | 109.1° | 109.1° |
| C84 | O85 | H10 | 109.5° | 109.5° |
| O88 | C79 | C78 | 110.5° | 110.5° |
| C79 | O88 | H1 | 109.5° | 109.5° |
| O88 | C79 | H2 | 109.0° | 109.0° |
| C17 | O46 | C46 | 118.2° | 118.2° |
| O46 | C17 | O57 | 111.5° | 111.5° |
| O46 | C17 | H36 | 110.2° | 110.2° |
| O46 | C46 | C36 | 104.7° | 104.7° |
| O46 | C46 | C56 | 111.0° | 111.0° |
| O46 | C46 | H35 | 112.3° | 112.3° |
| O36 | C36 | C46 | 109.3° | 109.3° |
| O36 | C36 | C26 | 114.5° | 114.5° |
| O36 | C36 | H29 | 108.1° | 108.1° |
| C36 | O36 | H30 | 109.5° | 109.5° |
| C79 | C78 | O83 | 110.9° | 110.9° |
| C78 | C79 | H2 | 107.7° | 107.7° |
| C79 | C78 | H11 | 107.8° | 107.8° |
| O83 | C78 | H11 | 109.1° | 109.1° |
| O67 | C67 | H42 | 110.0° | 110.0° |
| O67 | C67 | H43 | 110.0° | 110.0° |
| C67 | O67 | H44 | 109.5° | 109.5° |
| O55 | C55 | C45 | 108.9° | 108.9° |
| O55 | C55 | C65 | 108.3° | 108.3° |
| O55 | C55 | H21 | 110.2° | 110.2° |
| O57 | C17 | H36 | 110.6° | 110.6° |
| C46 | C36 | C26 | 110.5° | 110.5° |
| C36 | C46 | C56 | 105.9° | 105.9° |
| C46 | C36 | H29 | 107.4° | 107.4° |
| C36 | C46 | H35 | 111.4° | 111.4° |
| C36 | C26 | O26 | 105.3° | 105.3° |
| C36 | C26 | C16 | 111.7° | 111.7° |
| C36 | C26 | H27 | 109.5° | 109.5° |
| C26 | C36 | H29 | 106.8° | 106.8° |
| C55 | C45 | O45 | 108.4° | 108.4° |
| C45 | C55 | C65 | 111.2° | 111.2° |
| C45 | C55 | H21 | 109.2° | 109.2° |
| C55 | C45 | H25 | 109.8° | 109.8° |
| C45 | O45 | C16 | 118.7° | 118.7° |
| O45 | C45 | H25 | 111.2° | 111.2° |
| C55 | C65 | O65 | 106.0° | 106.0° |
| C65 | C55 | H21 | 109.1° | 109.1° |
| C55 | C65 | H22 | 110.4° | 110.4° |
| C55 | C65 | H23 | 110.3° | 110.3° |
| O45 | C16 | C26 | 107.7° | 107.7° |
| O45 | C16 | O56 | 108.4° | 108.4° |
| O45 | C16 | H26 | 111.6° | 111.6° |
| O26 | C26 | C16 | 109.4° | 109.4° |
| O26 | C26 | H27 | 111.2° | 111.2° |
| C26 | O26 | H28 | 109.5° | 109.5° |
| C46 | C56 | C66 | 111.5° | 111.5° |
| C46 | C56 | O56 | 109.5° | 109.5° |
| C46 | C56 | H31 | 108.2° | 108.2° |
| C56 | C46 | H35 | 111.1° | 111.1° |
| C66 | C56 | O56 | 110.5° | 110.5° |
| C56 | C66 | O66 | 107.4° | 107.4° |
| C66 | C56 | H31 | 108.0° | 108.0° |
| C56 | C66 | H32 | 110.0° | 110.0° |
| C56 | C66 | H33 | 110.0° | 110.0° |
| C56 | O56 | C16 | 114.2° | 114.2° |
| O56 | C56 | H31 | 109.1° | 109.1° |
| C26 | C16 | O56 | 106.7° | 106.7° |
| C26 | C16 | H26 | 110.3° | 110.3° |
| C16 | C26 | H27 | 109.6° | 109.6° |
| O65 | C65 | H22 | 110.4° | 110.4° |
| O65 | C65 | H23 | 110.4° | 110.4° |
| C65 | O65 | H24 | 109.5° | 109.5° |
| O56 | C16 | H26 | 111.9° | 111.9° |
| O66 | C66 | H32 | 110.0° | 110.0° |
| O66 | C66 | H33 | 110.0° | 110.0° |
| C66 | O66 | H34 | 109.5° | 109.5° |
| H8 | C84 | H9 | 109.5° | 109.5° |
| H12 | C64 | H13 | 109.5° | 109.5° |
| H22 | C65 | H23 | 109.4° | 109.4° |
| H32 | C66 | H33 | 109.5° | 109.5° |
| H42 | C67 | H43 | 109.5° | 109.5° |
| H52 | C63 | H53 | 109.4° | 109.4° |
| H62 | C62 | H63 | 109.5° | 109.5° |
| H72 | C61 | H73 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C23 | C33 | O33 | 63.3° | 63.3° |
| O23 | C23 | C33 | C13 | 121.3° | 121.3° |
| O23 | C23 | C33 | H56 | 120.3° | 120.3° |
| O23 | C23 | C13 | H56 | 119.6° | 119.6° |
| O23 | C23 | C33 | C43 | 174.5° | 174.5° |
| O23 | C23 | C13 | O42 | 61.6° | 61.6° |
| O23 | C23 | C13 | O53 | 180.0° | 180.0° |
| O23 | C23 | C13 | H55 | 57.2° | 57.2° |
| O23 | C23 | C33 | H58 | 55.8° | 55.8° |
| O32 | C32 | C22 | O22 | 63.7° | 63.7° |
| O32 | C32 | C22 | C42 | 118.7° | 118.7° |
| O32 | C32 | C22 | H68 | 122.0° | 122.0° |
| O32 | C32 | C22 | C12 | 174.8° | 174.8° |
| O32 | C32 | C42 | H68 | 119.5° | 119.5° |
| O32 | C32 | C42 | O42 | 66.4° | 66.4° |
| O32 | C32 | C42 | C52 | 173.3° | 173.3° |
| O32 | C32 | C42 | H60 | 52.7° | 52.7° |
| O32 | C32 | C22 | H66 | 56.1° | 56.1° |
| O22 | C22 | C32 | C12 | 121.5° | 121.5° |
| O22 | C22 | C32 | H66 | 119.8° | 119.8° |
| O22 | C22 | C12 | H66 | 120.5° | 120.5° |
| O22 | C22 | C32 | C42 | 177.6° | 177.6° |
| O22 | C22 | C12 | O52 | 178.3° | 178.3° |
| O22 | C22 | C12 | O41 | 58.2° | 58.2° |
| O22 | C22 | C12 | H65 | 61.9° | 61.9° |
| O22 | C22 | C32 | H68 | 58.3° | 58.3° |
| O33 | C33 | C23 | C43 | 122.2° | 122.2° |
| O33 | C33 | C23 | H58 | 119.1° | 119.1° |
| O33 | C33 | C23 | C13 | 175.4° | 175.4° |
| O33 | C33 | C43 | H58 | 120.1° | 120.1° |
| O33 | C33 | C43 | O43 | 68.8° | 68.8° |
| O33 | C33 | C43 | C53 | 165.4° | 165.4° |
| O33 | C33 | C43 | H50 | 46.6° | 46.6° |
| O33 | C33 | C23 | H56 | 57.0° | 57.0° |
| C32 | C22 | C12 | H66 | 118.6° | 118.6° |
| C22 | C32 | C42 | H68 | 119.2° | 119.2° |
| C22 | C32 | C42 | O42 | 172.3° | 172.3° |
| C22 | C32 | C42 | C52 | 51.9° | 51.9° |
| C32 | C22 | C12 | O52 | 57.3° | 57.3° |
| C32 | C22 | C12 | O41 | 62.8° | 62.8° |
| C22 | C32 | C42 | H60 | 68.7° | 68.7° |
| C32 | C22 | C12 | H65 | 177.1° | 177.1° |
| C32 | C22 | O22 | H67 | 180.0° | 180.0° |
| C22 | C32 | O32 | H69 | 180.0° | 180.0° |
| C12 | C22 | C32 | C42 | 56.1° | 56.1° |
| C22 | C12 | O52 | O41 | 122.0° | 122.0° |
| C22 | C12 | O52 | H65 | 119.1° | 119.1° |
| C22 | C12 | O41 | H65 | 119.3° | 119.3° |
| C22 | C12 | O52 | C52 | 55.3° | 55.3° |
| C22 | C12 | O41 | C41 | 128.8° | 128.8° |
| C12 | C22 | O22 | H67 | 58.6° | 58.6° |
| C12 | C22 | C32 | H68 | 63.2° | 63.2° |
| C33 | C23 | C13 | H56 | 118.1° | 118.1° |
| C23 | C33 | C43 | H58 | 118.4° | 118.4° |
| C33 | C23 | C13 | O42 | 60.7° | 60.7° |
| C33 | C23 | C13 | O53 | 57.7° | 57.7° |
| C23 | C33 | C43 | O43 | 169.7° | 169.7° |
| C23 | C33 | C43 | C53 | 43.9° | 43.9° |
| C23 | C33 | C43 | H50 | 74.8° | 74.8° |
| C33 | C23 | C13 | H55 | 179.5° | 179.5° |
| C33 | C23 | O23 | H57 | 180.0° | 180.0° |
| C23 | C33 | O33 | H59 | 180.0° | 180.0° |
| C13 | C23 | C33 | C43 | 53.2° | 53.2° |
| C23 | C13 | O42 | C42 | 123.7° | 123.7° |
| C23 | C13 | O42 | O53 | 122.8° | 122.8° |
| C23 | C13 | O42 | H55 | 118.1° | 118.1° |
| C23 | C13 | O53 | H55 | 122.4° | 122.4° |
| C23 | C13 | O53 | C53 | 51.2° | 51.2° |
| C13 | C23 | O23 | H57 | 58.7° | 58.7° |
| C13 | C23 | C33 | H58 | 65.5° | 65.5° |
| C32 | C42 | O42 | C52 | 122.3° | 122.3° |
| C32 | C42 | O42 | H60 | 118.3° | 118.3° |
| C32 | C42 | C52 | H60 | 120.6° | 120.6° |
| C32 | C42 | O42 | C13 | 133.1° | 133.1° |
| C32 | C42 | C52 | O52 | 48.2° | 48.2° |
| C32 | C42 | C52 | C62 | 166.0° | 166.0° |
| C32 | C42 | C52 | H61 | 74.7° | 74.7° |
| C42 | C32 | C22 | H66 | 62.6° | 62.6° |
| C42 | C32 | O32 | H69 | 59.7° | 59.7° |
| C33 | C43 | O43 | C53 | 128.5° | 128.5° |
| C33 | C43 | O43 | H50 | 114.7° | 114.7° |
| C33 | C43 | C53 | H50 | 119.0° | 119.0° |
| C33 | C43 | C53 | O53 | 36.3° | 36.3° |
| C33 | C43 | O43 | C14 | 108.3° | 108.3° |
| C33 | C43 | C53 | C63 | 168.2° | 168.2° |
| C33 | C43 | C53 | H51 | 78.1° | 78.1° |
| C43 | C33 | C23 | H56 | 65.2° | 65.2° |
| C43 | C33 | O33 | H59 | 57.9° | 57.9° |
| O42 | C42 | C52 | H60 | 120.1° | 120.1° |
| C42 | O42 | C13 | O53 | 113.5° | 113.5° |
| O42 | C42 | C52 | O52 | 167.5° | 167.5° |
| O42 | C42 | C52 | C62 | 74.6° | 74.6° |
| C42 | O42 | C13 | H55 | 5.6° | 5.6° |
| O42 | C42 | C52 | H61 | 44.6° | 44.6° |
| O42 | C42 | C32 | H68 | 53.1° | 53.1° |
| C52 | C42 | O42 | C13 | 104.7° | 104.7° |
| C42 | C52 | O52 | C12 | 50.6° | 50.6° |
| C42 | C52 | O52 | C62 | 119.0° | 119.0° |
| C42 | C52 | O52 | H61 | 122.4° | 122.4° |
| C42 | C52 | C62 | H61 | 119.4° | 119.4° |
| C42 | C52 | C62 | O62 | 158.4° | 158.4° |
| C42 | C52 | C62 | H62 | 39.3° | 39.3° |
| C42 | C52 | C62 | H63 | 82.5° | 82.5° |
| C52 | C42 | C32 | H68 | 67.3° | 67.3° |
| O42 | C13 | O53 | H55 | 119.3° | 119.3° |
| O42 | C13 | O53 | C53 | 67.1° | 67.1° |
| O42 | C13 | C23 | H56 | 178.8° | 178.8° |
| C13 | O42 | C42 | H60 | 14.7° | 14.7° |
| C13 | O53 | C53 | C43 | 38.6° | 38.6° |
| C13 | O53 | C53 | C63 | 172.4° | 172.4° |
| C13 | O53 | C53 | H51 | 75.1° | 75.1° |
| O53 | C13 | C23 | H56 | 60.4° | 60.4° |
| O31 | C31 | C41 | O41 | 63.7° | 63.7° |
| O31 | C31 | C41 | C21 | 118.8° | 118.8° |
| O31 | C31 | C41 | H75 | 121.3° | 121.3° |
| O31 | C31 | C21 | H75 | 121.7° | 121.7° |
| O31 | C31 | C41 | C51 | 173.2° | 173.2° |
| O31 | C31 | C21 | O21 | 66.3° | 66.3° |
| O31 | C31 | C21 | C11 | 173.7° | 173.7° |
| O31 | C31 | C41 | H70 | 54.2° | 54.2° |
| O31 | C31 | C21 | H77 | 54.5° | 54.5° |
| O24 | C24 | C14 | C34 | 123.7° | 123.7° |
| O24 | C24 | C14 | H46 | 118.9° | 118.9° |
| O24 | C24 | C34 | H46 | 120.3° | 120.3° |
| O24 | C24 | C14 | O43 | 59.9° | 59.9° |
| O24 | C24 | C14 | O54 | 177.6° | 177.6° |
| O24 | C24 | C34 | O34 | 57.9° | 57.9° |
| O24 | C24 | C34 | C44 | 178.1° | 178.1° |
| O24 | C24 | C14 | H45 | 58.4° | 58.4° |
| O24 | C24 | C34 | H48 | 61.4° | 61.4° |
| O52 | C12 | O41 | H65 | 118.8° | 118.8° |
| O52 | C12 | O41 | C41 | 109.3° | 109.3° |
| C12 | O52 | C52 | C62 | 169.6° | 169.6° |
| C12 | O52 | C52 | H61 | 71.8° | 71.8° |
| O52 | C12 | C22 | H66 | 61.3° | 61.3° |
| O41 | C12 | O52 | C52 | 66.7° | 66.7° |
| C12 | O41 | C41 | C31 | 131.9° | 131.9° |
| C12 | O41 | C41 | C51 | 107.4° | 107.4° |
| O41 | C12 | C22 | H66 | 178.7° | 178.7° |
| C12 | O41 | C41 | H70 | 14.7° | 14.7° |
| O52 | C52 | C62 | H61 | 119.2° | 119.2° |
| O52 | C52 | C62 | O62 | 80.2° | 80.2° |
| O52 | C52 | C42 | H60 | 72.4° | 72.4° |
| O52 | C52 | C62 | H62 | 160.7° | 160.7° |
| O52 | C52 | C62 | H63 | 38.9° | 38.9° |
| C52 | O52 | C12 | H65 | 174.5° | 174.5° |
| O43 | C43 | C53 | H50 | 117.8° | 117.8° |
| O43 | C43 | C53 | O53 | 159.5° | 159.5° |
| C43 | O43 | C14 | C24 | 135.4° | 135.4° |
| C43 | O43 | C14 | O54 | 103.3° | 103.3° |
| O43 | C43 | C53 | C63 | 68.5° | 68.5° |
| C43 | O43 | C14 | H45 | 17.8° | 17.8° |
| O43 | C43 | C53 | H51 | 45.2° | 45.2° |
| O43 | C43 | C33 | H58 | 51.3° | 51.3° |
| C43 | C53 | O53 | C63 | 133.9° | 133.9° |
| C43 | C53 | O53 | H51 | 113.7° | 113.7° |
| C53 | C43 | O43 | C14 | 123.2° | 123.2° |
| C43 | C53 | C63 | H51 | 113.6° | 113.6° |
| C43 | C53 | C63 | O63 | 150.6° | 150.6° |
| C43 | C53 | C63 | H52 | 30.7° | 30.7° |
| C43 | C53 | C63 | H53 | 89.6° | 89.6° |
| C53 | C43 | C33 | H58 | 74.5° | 74.5° |
| O41 | C41 | C31 | C51 | 123.1° | 123.1° |
| O41 | C41 | C31 | H70 | 117.9° | 117.9° |
| O41 | C41 | C31 | C21 | 177.5° | 177.5° |
| O41 | C41 | C51 | H70 | 122.8° | 122.8° |
| O41 | C41 | C51 | C61 | 68.5° | 68.5° |
| O41 | C41 | C51 | O51 | 172.0° | 172.0° |
| C41 | O41 | C12 | H65 | 9.5° | 9.5° |
| O41 | C41 | C51 | H71 | 52.9° | 52.9° |
| O41 | C41 | C31 | H75 | 57.5° | 57.5° |
| C52 | C62 | O62 | H62 | 119.1° | 119.1° |
| C52 | C62 | O62 | H63 | 119.1° | 119.1° |
| C62 | C52 | C42 | H60 | 45.4° | 45.4° |
| C52 | C62 | H62 | H63 | 122.6° | 122.6° |
| C52 | C62 | O62 | H64 | 180.0° | 180.0° |
| O53 | C53 | C63 | H51 | 113.0° | 113.0° |
| O53 | C53 | C63 | O63 | 76.0° | 76.0° |
| O53 | C53 | C43 | H50 | 82.7° | 82.7° |
| O53 | C53 | C63 | H52 | 164.2° | 164.2° |
| O53 | C53 | C63 | H53 | 43.9° | 43.9° |
| C53 | O53 | C13 | H55 | 173.6° | 173.6° |
| C41 | C31 | C21 | H75 | 119.9° | 120.0° |
| C31 | C41 | C51 | H70 | 119.2° | 119.2° |
| C41 | C31 | C21 | O21 | 175.3° | 175.3° |
| C41 | C31 | C21 | C11 | 55.4° | 55.4° |
| C31 | C41 | C51 | C61 | 173.5° | 173.5° |
| C31 | C41 | C51 | O51 | 54.0° | 54.0° |
| C31 | C41 | C51 | H71 | 65.1° | 65.1° |
| C41 | C31 | O31 | H76 | 180.0° | 180.0° |
| C41 | C31 | C21 | H77 | 63.9° | 63.9° |
| C21 | C31 | C41 | C51 | 54.5° | 54.5° |
| C31 | C21 | O21 | C11 | 122.3° | 122.3° |
| C31 | C21 | O21 | H77 | 120.0° | 120.0° |
| C31 | C21 | C11 | H77 | 119.2° | 119.2° |
| C31 | C21 | C11 | O51 | 54.5° | 54.5° |
| C31 | C21 | C11 | O47 | 64.1° | 64.1° |
| C21 | C31 | C41 | H70 | 64.6° | 64.6° |
| C21 | C31 | O31 | H76 | 61.4° | 61.4° |
| C31 | C21 | O21 | H78 | 180.0° | 180.0° |
| C31 | C21 | C11 | H79 | 175.3° | 175.3° |
| C14 | C24 | C34 | H46 | 117.4° | 117.4° |
| C24 | C14 | O43 | O54 | 121.3° | 121.3° |
| C24 | C14 | O43 | H45 | 117.6° | 117.6° |
| C24 | C14 | O54 | H45 | 118.5° | 118.5° |
| C14 | C24 | C34 | O34 | 179.8° | 179.8° |
| C14 | C24 | C34 | C44 | 55.8° | 55.8° |
| C24 | C14 | O54 | C54 | 60.2° | 60.2° |
| C14 | C24 | O24 | H47 | 180.0° | 180.0° |
| C14 | C24 | C34 | H48 | 60.9° | 60.9° |
| C34 | C24 | C14 | O43 | 63.8° | 63.8° |
| C34 | C24 | C14 | O54 | 58.7° | 58.7° |
| C24 | C34 | O34 | C44 | 122.5° | 122.5° |
| C24 | C34 | O34 | H48 | 118.8° | 118.8° |
| C24 | C34 | C44 | H48 | 116.8° | 116.8° |
| C24 | C34 | C44 | C54 | 52.9° | 52.9° |
| C24 | C34 | C44 | O44 | 171.6° | 171.6° |
| C24 | C34 | C44 | H15 | 68.2° | 68.2° |
| C34 | C24 | C14 | H45 | 177.9° | 177.9° |
| C34 | C24 | O24 | H47 | 57.7° | 57.7° |
| C24 | C34 | O34 | H49 | 180.0° | 180.0° |
| O62 | C62 | C52 | H61 | 39.0° | 39.0° |
| O62 | C62 | H62 | H63 | 122.7° | 122.7° |
| C41 | C51 | C61 | O61 | 57.8° | 57.8° |
| C41 | C51 | C61 | O51 | 123.0° | 123.0° |
| C41 | C51 | C61 | H71 | 121.2° | 121.3° |
| C41 | C51 | O51 | H71 | 118.1° | 118.2° |
| C41 | C51 | O51 | C11 | 55.7° | 55.7° |
| C41 | C51 | C61 | H72 | 62.3° | 62.3° |
| C41 | C51 | C61 | H73 | 177.9° | 177.9° |
| C51 | C41 | C31 | H75 | 65.5° | 65.5° |
| O43 | C14 | O54 | H45 | 121.1° | 121.1° |
| O43 | C14 | O54 | C54 | 60.2° | 60.2° |
| O43 | C14 | C24 | H46 | 178.8° | 178.8° |
| C14 | O43 | C43 | H50 | 6.4° | 6.4° |
| C14 | O54 | C54 | C44 | 56.3° | 56.3° |
| C14 | O54 | C54 | C64 | 175.1° | 175.1° |
| C14 | O54 | C54 | H14 | 59.5° | 59.5° |
| O54 | C14 | C24 | H46 | 58.8° | 58.8° |
| C53 | C63 | O63 | H52 | 119.8° | 119.8° |
| C53 | C63 | O63 | H53 | 119.8° | 119.8° |
| C63 | C53 | C43 | H50 | 49.2° | 49.2° |
| C53 | C63 | H52 | H53 | 120.5° | 120.5° |
| C53 | C63 | O63 | H54 | 180.0° | 180.0° |
| O21 | C21 | C11 | H77 | 118.5° | 118.5° |
| O21 | C21 | C11 | O51 | 176.8° | 176.8° |
| O21 | C21 | C11 | O47 | 58.1° | 58.1° |
| O21 | C21 | C31 | H75 | 55.4° | 55.4° |
| O21 | C21 | C11 | H79 | 62.4° | 62.4° |
| C21 | C11 | O51 | C51 | 55.7° | 55.7° |
| C21 | C11 | O51 | O47 | 119.8° | 119.8° |
| C21 | C11 | O51 | H79 | 120.0° | 120.0° |
| C21 | C11 | O47 | H79 | 119.7° | 119.7° |
| C21 | C11 | O47 | C47 | 124.1° | 124.1° |
| C11 | C21 | C31 | H75 | 64.6° | 64.6° |
| C11 | C21 | O21 | H78 | 57.7° | 57.6° |
| O34 | C34 | C44 | H48 | 119.4° | 119.4° |
| O34 | C34 | C44 | C54 | 176.7° | 176.7° |
| O34 | C34 | C44 | O44 | 64.6° | 64.6° |
| O34 | C34 | C44 | H15 | 55.6° | 55.6° |
| O34 | C34 | C24 | H46 | 62.4° | 62.4° |
| C34 | C44 | C54 | O54 | 51.9° | 51.9° |
| C34 | C44 | C54 | O44 | 117.6° | 117.6° |
| C34 | C44 | C54 | H15 | 121.1° | 121.1° |
| C34 | C44 | O44 | H15 | 119.0° | 119.0° |
| C34 | C44 | C54 | C64 | 177.2° | 177.2° |
| C34 | C44 | O44 | C15 | 134.4° | 134.4° |
| C34 | C44 | C54 | H14 | 64.7° | 64.7° |
| C44 | C34 | C24 | H46 | 61.6° | 61.6° |
| C44 | C34 | O34 | H49 | 57.5° | 57.5° |
| O61 | C61 | C51 | H72 | 120.1° | 120.1° |
| O61 | C61 | C51 | H73 | 120.1° | 120.1° |
| O61 | C61 | C51 | O51 | 65.2° | 65.2° |
| O61 | C61 | C51 | H71 | 179.0° | 179.1° |
| O61 | C61 | H72 | H73 | 119.8° | 119.9° |
| O63 | C63 | C53 | H51 | 37.0° | 37.0° |
| O63 | C63 | H52 | H53 | 120.5° | 120.5° |
| C61 | C51 | O51 | H71 | 114.7° | 114.7° |
| C61 | C51 | O51 | C11 | 177.1° | 177.1° |
| C61 | C51 | C41 | H70 | 54.3° | 54.3° |
| C51 | C61 | H72 | H73 | 119.8° | 119.8° |
| C51 | C61 | O61 | H74 | 180.0° | 180.0° |
| C51 | O51 | C11 | O47 | 64.2° | 64.2° |
| O51 | C51 | C41 | H70 | 65.2° | 65.2° |
| O51 | C51 | C61 | H72 | 174.7° | 174.7° |
| O51 | C51 | C61 | H73 | 54.8° | 54.8° |
| C51 | O51 | C11 | H79 | 175.7° | 175.7° |
| O54 | C54 | C44 | C64 | 125.2° | 125.2° |
| O54 | C54 | C44 | H14 | 116.6° | 116.6° |
| O54 | C54 | C44 | O44 | 169.6° | 169.6° |
| O54 | C54 | C64 | H14 | 116.3° | 116.3° |
| O54 | C54 | C64 | O64 | 66.6° | 66.6° |
| O54 | C54 | C64 | H12 | 173.8° | 173.8° |
| O54 | C54 | C64 | H13 | 52.9° | 52.9° |
| O54 | C54 | C44 | H15 | 69.1° | 69.1° |
| C54 | O54 | C14 | H45 | 178.7° | 178.7° |
| O51 | C11 | O47 | H79 | 120.0° | 120.0° |
| O51 | C11 | O47 | C47 | 115.6° | 115.6° |
| C11 | O51 | C51 | H71 | 62.4° | 62.4° |
| O51 | C11 | C21 | H77 | 64.7° | 64.7° |
| C11 | O47 | C47 | C37 | 116.7° | 116.7° |
| C11 | O47 | C47 | C57 | 126.4° | 126.4° |
| O47 | C11 | C21 | H77 | 176.7° | 176.7° |
| C11 | O47 | C47 | H80 | 4.8° | 4.8° |
| O37 | C37 | C47 | O47 | 64.7° | 64.7° |
| O37 | C37 | C47 | C27 | 126.0° | 126.0° |
| O37 | C37 | C47 | H39 | 117.6° | 117.6° |
| O37 | C37 | C27 | H39 | 117.1° | 117.1° |
| O37 | C37 | C47 | C57 | 178.4° | 178.4° |
| O37 | C37 | C27 | O27 | 60.7° | 60.7° |
| O37 | C37 | C27 | C17 | 178.7° | 178.7° |
| O37 | C37 | C27 | H37 | 59.0° | 59.0° |
| O37 | C37 | C47 | H80 | 58.0° | 58.0° |
| C54 | C44 | O44 | H15 | 120.2° | 120.2° |
| C44 | C54 | C64 | H14 | 118.0° | 118.0° |
| C54 | C44 | O44 | C15 | 104.9° | 104.9° |
| C44 | C54 | C64 | O64 | 167.7° | 167.7° |
| C44 | C54 | C64 | H12 | 48.2° | 48.2° |
| C44 | C54 | C64 | H13 | 72.8° | 72.8° |
| C54 | C44 | C34 | H48 | 64.0° | 64.0° |
| O44 | C44 | C54 | C64 | 65.2° | 65.2° |
| C44 | O44 | C15 | C25 | 117.5° | 117.5° |
| C44 | O44 | C15 | O55 | 122.2° | 122.2° |
| O44 | C44 | C54 | H14 | 52.9° | 52.9° |
| C44 | O44 | C15 | H16 | 1.5° | 1.5° |
| O44 | C44 | C34 | H48 | 54.8° | 54.8° |
| O47 | C47 | C37 | C57 | 117.0° | 117.0° |
| O47 | C47 | C37 | H80 | 122.6° | 122.6° |
| O47 | C47 | C37 | C27 | 169.4° | 169.4° |
| O47 | C47 | C57 | H80 | 122.4° | 122.4° |
| O47 | C47 | C57 | C67 | 66.0° | 66.0° |
| O47 | C47 | C57 | O57 | 173.9° | 173.9° |
| O47 | C47 | C37 | H39 | 52.9° | 52.9° |
| O47 | C47 | C57 | H41 | 55.1° | 55.1° |
| C47 | O47 | C11 | H79 | 4.4° | 4.4° |
| C54 | C64 | O64 | H12 | 119.5° | 119.5° |
| C54 | C64 | O64 | H13 | 119.5° | 119.5° |
| C54 | C64 | O64 | C78 | 172.5° | 172.5° |
| C54 | C64 | H12 | H13 | 121.4° | 121.4° |
| C64 | C54 | C44 | H15 | 56.1° | 56.1° |
| O25 | C25 | C15 | O44 | 54.7° | 54.7° |
| O25 | C25 | C15 | C35 | 122.1° | 122.1° |
| O25 | C25 | C15 | H17 | 120.7° | 120.7° |
| O25 | C25 | C35 | H17 | 118.6° | 118.6° |
| O25 | C25 | C15 | O55 | 174.4° | 174.4° |
| O25 | C25 | C35 | O35 | 63.4° | 63.4° |
| O25 | C25 | C35 | C45 | 178.1° | 178.1° |
| O25 | C25 | C15 | H16 | 65.2° | 65.2° |
| O25 | C25 | C35 | H19 | 57.8° | 57.8° |
| O44 | C15 | C25 | O55 | 119.7° | 119.7° |
| O44 | C15 | C25 | H16 | 119.9° | 119.9° |
| O44 | C15 | C25 | C35 | 67.4° | 67.4° |
| O44 | C15 | O55 | H16 | 120.7° | 120.7° |
| O44 | C15 | O55 | C55 | 61.6° | 61.6° |
| C15 | O44 | C44 | H15 | 15.4° | 15.4° |
| O44 | C15 | C25 | H17 | 175.4° | 175.4° |
| C47 | C37 | C27 | H39 | 116.4° | 116.4° |
| C37 | C47 | C57 | H80 | 120.2° | 120.2° |
| C47 | C37 | C27 | O27 | 172.8° | 172.8° |
| C47 | C37 | C27 | C17 | 52.2° | 52.2° |
| C37 | C47 | C57 | C67 | 176.7° | 176.7° |
| C37 | C47 | C57 | O57 | 56.5° | 56.5° |
| C47 | C37 | C27 | H37 | 67.4° | 67.4° |
| C47 | C37 | O37 | H40 | 180.0° | 180.0° |
| C37 | C47 | C57 | H41 | 62.3° | 62.3° |
| C27 | C37 | C47 | C57 | 52.4° | 52.4° |
| C37 | C27 | O27 | C17 | 121.1° | 121.1° |
| C37 | C27 | O27 | H37 | 119.0° | 119.0° |
| C37 | C27 | C17 | H37 | 119.5° | 119.5° |
| C37 | C27 | C17 | O46 | 66.4° | 66.4° |
| C37 | C27 | C17 | O57 | 53.8° | 53.8° |
| C37 | C27 | C17 | H36 | 173.3° | 173.3° |
| C37 | C27 | O27 | H38 | 180.0° | 180.0° |
| C27 | C37 | O37 | H40 | 53.2° | 53.2° |
| C27 | C37 | C47 | H80 | 68.0° | 68.0° |
| C47 | C57 | C67 | O57 | 120.4° | 120.4° |
| C47 | C57 | C67 | H41 | 121.0° | 121.0° |
| C47 | C57 | O57 | H41 | 118.0° | 118.0° |
| C47 | C57 | C67 | O67 | 90.8° | 90.8° |
| C47 | C57 | O57 | C17 | 67.4° | 67.4° |
| C57 | C47 | C37 | H39 | 64.1° | 64.1° |
| C47 | C57 | C67 | H42 | 149.6° | 149.6° |
| C47 | C57 | C67 | H43 | 28.9° | 28.9° |
| C64 | O64 | C78 | C79 | 170.4° | 170.4° |
| C64 | O64 | C78 | O83 | 67.5° | 67.5° |
| C64 | O64 | C78 | H11 | 52.3° | 52.3° |
| O64 | C64 | H12 | H13 | 121.4° | 121.4° |
| O64 | C64 | C54 | H14 | 49.7° | 49.7° |
| O86 | C81 | C80 | C82 | 119.7° | 119.7° |
| O86 | C81 | C80 | H5 | 121.1° | 121.1° |
| O86 | C81 | C80 | O87 | 65.7° | 65.7° |
| O86 | C81 | C80 | C79 | 176.4° | 176.4° |
| O86 | C81 | C82 | C84 | 55.3° | 55.3° |
| O86 | C81 | C82 | H5 | 119.7° | 119.7° |
| O86 | C81 | C82 | O83 | 178.5° | 178.5° |
| O86 | C81 | C80 | H3 | 58.2° | 58.2° |
| O86 | C81 | C82 | H7 | 63.2° | 63.2° |
| O64 | C78 | C79 | C80 | 67.9° | 67.9° |
| O64 | C78 | O83 | C82 | 63.8° | 63.8° |
| O64 | C78 | C79 | O88 | 54.2° | 54.2° |
| O64 | C78 | C79 | O83 | 121.4° | 121.4° |
| O64 | C78 | C79 | H11 | 119.1° | 119.1° |
| O64 | C78 | O83 | H11 | 120.0° | 120.0° |
| O64 | C78 | C79 | H2 | 173.2° | 173.2° |
| C78 | O64 | C64 | H12 | 53.0° | 53.0° |
| C78 | O64 | C64 | H13 | 68.0° | 68.0° |
| O27 | C27 | C17 | H37 | 120.5° | 120.5° |
| O27 | C27 | C17 | O46 | 53.6° | 53.6° |
| O27 | C27 | C17 | O57 | 173.8° | 173.8° |
| O27 | C27 | C17 | H36 | 66.7° | 66.7° |
| O27 | C27 | C37 | H39 | 56.4° | 56.4° |
| C15 | C25 | C35 | H17 | 117.0° | 117.0° |
| C25 | C15 | O55 | H16 | 119.5° | 119.5° |
| C15 | C25 | C35 | O35 | 172.3° | 172.3° |
| C15 | C25 | C35 | C45 | 53.7° | 53.7° |
| C25 | C15 | O55 | C55 | 58.2° | 58.2° |
| C15 | C25 | O25 | H18 | 180.0° | 180.0° |
| C15 | C25 | C35 | H19 | 66.6° | 66.6° |
| C35 | C25 | C15 | O55 | 52.3° | 52.3° |
| C25 | C35 | O35 | C45 | 122.2° | 122.2° |
| C25 | C35 | O35 | H19 | 120.1° | 120.1° |
| C25 | C35 | C45 | H19 | 120.3° | 120.3° |
| C25 | C35 | C45 | C55 | 55.9° | 55.9° |
| C25 | C35 | C45 | O45 | 173.8° | 173.8° |
| C35 | C25 | C15 | H16 | 172.7° | 172.7° |
| C35 | C25 | O25 | H18 | 57.9° | 57.9° |
| C25 | C35 | O35 | H20 | 180.0° | 180.0° |
| C25 | C35 | C45 | H25 | 64.5° | 64.5° |
| C15 | O55 | C55 | C45 | 59.9° | 59.9° |
| C15 | O55 | C55 | C65 | 179.0° | 179.0° |
| O55 | C15 | C25 | H17 | 64.9° | 64.9° |
| C15 | O55 | C55 | H21 | 59.8° | 59.8° |
| O35 | C35 | C45 | H19 | 118.8° | 118.8° |
| O35 | C35 | C45 | C55 | 176.7° | 176.7° |
| O35 | C35 | C45 | O45 | 65.3° | 65.3° |
| O35 | C35 | C25 | H17 | 55.3° | 55.3° |
| O35 | C35 | C45 | H25 | 56.3° | 56.3° |
| C35 | C45 | C55 | O55 | 55.5° | 55.5° |
| C35 | C45 | C55 | O45 | 118.0° | 118.0° |
| C35 | C45 | C55 | H25 | 120.4° | 120.4° |
| C35 | C45 | O45 | H25 | 120.7° | 120.7° |
| C35 | C45 | C55 | C65 | 174.7° | 174.7° |
| C35 | C45 | O45 | C16 | 133.8° | 133.8° |
| C45 | C35 | C25 | H17 | 63.3° | 63.3° |
| C45 | C35 | O35 | H20 | 57.8° | 57.8° |
| C35 | C45 | C55 | H21 | 64.9° | 64.9° |
| C27 | C17 | O57 | C57 | 64.7° | 64.7° |
| C27 | C17 | O46 | O57 | 117.0° | 117.0° |
| C27 | C17 | O46 | H36 | 119.8° | 119.8° |
| C27 | C17 | O46 | C46 | 139.9° | 139.9° |
| C27 | C17 | O57 | H36 | 118.7° | 118.7° |
| C17 | C27 | O27 | H38 | 58.9° | 58.9° |
| C17 | C27 | C37 | H39 | 64.2° | 64.2° |
| C81 | C80 | O87 | C79 | 118.5° | 118.5° |
| C81 | C80 | O87 | H3 | 123.2° | 123.2° |
| C81 | C80 | C79 | H3 | 118.0° | 118.0° |
| C80 | C81 | C82 | C84 | 176.3° | 176.3° |
| C80 | C81 | C82 | H5 | 119.3° | 119.3° |
| C80 | C81 | C82 | O83 | 60.5° | 60.5° |
| C81 | C80 | C79 | O88 | 176.3° | 176.3° |
| C81 | C80 | C79 | C78 | 53.3° | 53.3° |
| C81 | C80 | C79 | H2 | 65.5° | 65.5° |
| C81 | C80 | O87 | H4 | 180.0° | 180.0° |
| C80 | C81 | O86 | H6 | 180.0° | 180.0° |
| C80 | C81 | C82 | H7 | 57.8° | 57.8° |
| O87 | C80 | C79 | H3 | 118.9° | 118.9° |
| O87 | C80 | C81 | C82 | 174.6° | 174.6° |
| O87 | C80 | C79 | O88 | 60.6° | 60.6° |
| O87 | C80 | C79 | C78 | 176.4° | 176.4° |
| O87 | C80 | C79 | H2 | 57.5° | 57.5° |
| O87 | C80 | C81 | H5 | 55.4° | 55.4° |
| C79 | C80 | C81 | C82 | 56.6° | 56.6° |
| C80 | C79 | O88 | C78 | 124.4° | 124.4° |
| C80 | C79 | O88 | H2 | 117.5° | 117.5° |
| C80 | C79 | C78 | H2 | 118.9° | 118.9° |
| C80 | C79 | C78 | O83 | 53.5° | 53.5° |
| C80 | C79 | O88 | H1 | 180.0° | 180.0° |
| C79 | C80 | O87 | H4 | 61.5° | 61.5° |
| C79 | C80 | C81 | H5 | 62.6° | 62.6° |
| C80 | C79 | C78 | H11 | 173.0° | 173.0° |
| C84 | C82 | C81 | O83 | 123.2° | 123.2° |
| C84 | C82 | C81 | H7 | 118.5° | 118.5° |
| C84 | C82 | O83 | H7 | 119.2° | 119.2° |
| C82 | C84 | O85 | H8 | 120.2° | 120.2° |
| C82 | C84 | O85 | H9 | 120.2° | 120.2° |
| C84 | C82 | O83 | C78 | 175.7° | 175.7° |
| C84 | C82 | C81 | H5 | 64.4° | 64.4° |
| C82 | C84 | H8 | H9 | 119.3° | 119.3° |
| C82 | C84 | O85 | H10 | 180.0° | 180.0° |
| C81 | C82 | O83 | H7 | 117.4° | 117.4° |
| C81 | C82 | C84 | O85 | 62.5° | 62.5° |
| C81 | C82 | O83 | C78 | 60.9° | 60.9° |
| C82 | C81 | C80 | H3 | 61.5° | 61.5° |
| C82 | C81 | O86 | H6 | 59.1° | 59.1° |
| C81 | C82 | C84 | H8 | 177.3° | 177.3° |
| C81 | C82 | C84 | H9 | 57.7° | 57.7° |
| O83 | C82 | C84 | O85 | 59.0° | 59.0° |
| C82 | O83 | C78 | C79 | 57.5° | 57.5° |
| O83 | C82 | C81 | H5 | 58.8° | 58.8° |
| O83 | C82 | C84 | H8 | 61.2° | 61.2° |
| O83 | C82 | C84 | H9 | 179.2° | 179.2° |
| C82 | O83 | C78 | H11 | 176.2° | 176.2° |
| C67 | C57 | O57 | H41 | 117.7° | 117.7° |
| C57 | C67 | O67 | H42 | 119.7° | 119.7° |
| C57 | C67 | O67 | H43 | 119.7° | 119.7° |
| C67 | C57 | O57 | C17 | 168.2° | 168.2° |
| C57 | C67 | H42 | H43 | 121.0° | 121.1° |
| C57 | C67 | O67 | H44 | 180.0° | 180.0° |
| C67 | C57 | C47 | H80 | 56.5° | 56.5° |
| C57 | O57 | C17 | O46 | 53.7° | 53.7° |
| O57 | C57 | C67 | O67 | 29.6° | 29.6° |
| C57 | O57 | C17 | H36 | 176.6° | 176.7° |
| O57 | C57 | C67 | H42 | 90.0° | 90.0° |
| O57 | C57 | C67 | H43 | 149.3° | 149.3° |
| O57 | C57 | C47 | H80 | 63.7° | 63.7° |
| O85 | C84 | C82 | H7 | 179.1° | 179.1° |
| O85 | C84 | H8 | H9 | 119.3° | 119.3° |
| O88 | C79 | C78 | H2 | 118.9° | 118.9° |
| O88 | C79 | C78 | O83 | 175.7° | 175.7° |
| O88 | C79 | C80 | H3 | 58.3° | 58.3° |
| O88 | C79 | C78 | H11 | 64.9° | 64.9° |
| O46 | C17 | O57 | H36 | 123.0° | 123.0° |
| C17 | O46 | C46 | C36 | 124.2° | 124.2° |
| C17 | O46 | C46 | C56 | 121.9° | 121.9° |
| C17 | O46 | C46 | H35 | 3.2° | 3.2° |
| O46 | C17 | C27 | H37 | 174.1° | 174.1° |
| O46 | C46 | C36 | O36 | 57.8° | 57.8° |
| C46 | O46 | C17 | O57 | 103.1° | 103.1° |
| O46 | C46 | C36 | C56 | 117.4° | 117.4° |
| O46 | C46 | C36 | H35 | 121.6° | 121.6° |
| O46 | C46 | C36 | C26 | 175.3° | 175.3° |
| O46 | C46 | C56 | H35 | 125.8° | 125.8° |
| O46 | C46 | C56 | C66 | 61.9° | 61.9° |
| O46 | C46 | C56 | O56 | 175.5° | 175.5° |
| O46 | C46 | C36 | H29 | 59.2° | 59.2° |
| O46 | C46 | C56 | H31 | 56.8° | 56.8° |
| C46 | O46 | C17 | H36 | 20.1° | 20.1° |
| O36 | C36 | C46 | C26 | 126.9° | 126.9° |
| O36 | C36 | C46 | H29 | 117.0° | 117.0° |
| O36 | C36 | C26 | H29 | 119.6° | 119.6° |
| O36 | C36 | C26 | O26 | 61.8° | 61.8° |
| O36 | C36 | C46 | C56 | 175.2° | 175.2° |
| O36 | C36 | C26 | C16 | 179.5° | 179.5° |
| O36 | C36 | C26 | H27 | 57.9° | 57.9° |
| O36 | C36 | C46 | H35 | 63.9° | 63.9° |
| C79 | C78 | O83 | H11 | 118.7° | 118.7° |
| C78 | C79 | O88 | H1 | 55.6° | 55.6° |
| C78 | C79 | C80 | H3 | 64.7° | 64.7° |
| O83 | C78 | C79 | H2 | 65.4° | 65.4° |
| C78 | O83 | C82 | H7 | 56.5° | 56.5° |
| O67 | C67 | C57 | H41 | 148.2° | 148.2° |
| O67 | C67 | H42 | H43 | 121.0° | 121.0° |
| O55 | C55 | C45 | C65 | 119.2° | 119.2° |
| O55 | C55 | C45 | H21 | 120.3° | 120.3° |
| O55 | C55 | C45 | O45 | 173.5° | 173.5° |
| O55 | C55 | C65 | H21 | 119.9° | 119.9° |
| O55 | C55 | C65 | O65 | 57.8° | 57.8° |
| C55 | O55 | C15 | H16 | 177.7° | 177.7° |
| O55 | C55 | C65 | H22 | 177.2° | 177.2° |
| O55 | C55 | C65 | H23 | 61.7° | 61.7° |
| O55 | C55 | C45 | H25 | 64.9° | 64.9° |
| O57 | C17 | C27 | H37 | 65.7° | 65.7° |
| C17 | O57 | C57 | H41 | 50.5° | 50.5° |
| C46 | C36 | C26 | H29 | 116.5° | 116.5° |
| C46 | C36 | C26 | O26 | 174.3° | 174.3° |
| C36 | C46 | C56 | H35 | 121.1° | 121.1° |
| C36 | C46 | C56 | C66 | 175.0° | 175.0° |
| C36 | C46 | C56 | O56 | 62.4° | 62.4° |
| C46 | C36 | C26 | C16 | 55.6° | 55.6° |
| C46 | C36 | C26 | H27 | 66.1° | 66.1° |
| C46 | C36 | O36 | H30 | 180.0° | 180.0° |
| C36 | C46 | C56 | H31 | 56.4° | 56.4° |
| C36 | C26 | C16 | O45 | 63.7° | 63.7° |
| C36 | C26 | O26 | C16 | 120.2° | 120.2° |
| C36 | C26 | O26 | H27 | 118.5° | 118.5° |
| C26 | C36 | C46 | C56 | 57.9° | 57.9° |
| C36 | C26 | C16 | H27 | 121.6° | 121.6° |
| C36 | C26 | C16 | O56 | 52.6° | 52.6° |
| C36 | C26 | C16 | H26 | 174.3° | 174.3° |
| C36 | C26 | O26 | H28 | 180.0° | 180.0° |
| C26 | C36 | O36 | H30 | 55.4° | 55.4° |
| C26 | C36 | C46 | H35 | 63.0° | 63.0° |
| C55 | C45 | O45 | H25 | 120.8° | 120.8° |
| C45 | C55 | C65 | H21 | 120.5° | 120.5° |
| C55 | C45 | O45 | C16 | 107.7° | 107.7° |
| C45 | C55 | C65 | O65 | 177.4° | 177.4° |
| C55 | C45 | C35 | H19 | 64.4° | 64.4° |
| C45 | C55 | C65 | H22 | 63.2° | 63.2° |
| C45 | C55 | C65 | H23 | 57.9° | 57.9° |
| O45 | C45 | C55 | C65 | 67.3° | 67.3° |
| C45 | O45 | C16 | C26 | 126.3° | 126.3° |
| C45 | O45 | C16 | O56 | 118.5° | 118.5° |
| O45 | C45 | C35 | H19 | 53.5° | 53.5° |
| O45 | C45 | C55 | H21 | 53.1° | 53.1° |
| C45 | O45 | C16 | H26 | 5.1° | 5.1° |
| C55 | C65 | O65 | H22 | 119.5° | 119.5° |
| C55 | C65 | O65 | H23 | 119.4° | 119.4° |
| C55 | C65 | H22 | H23 | 121.6° | 121.6° |
| C55 | C65 | O65 | H24 | 180.0° | 180.0° |
| C65 | C55 | C45 | H25 | 54.4° | 54.4° |
| O45 | C16 | C26 | O26 | 52.5° | 52.5° |
| O45 | C16 | O56 | C56 | 56.5° | 56.5° |
| O45 | C16 | C26 | O56 | 116.3° | 116.3° |
| O45 | C16 | C26 | H26 | 122.0° | 122.0° |
| O45 | C16 | O56 | H26 | 123.4° | 123.4° |
| C16 | O45 | C45 | H25 | 13.1° | 13.1° |
| O45 | C16 | C26 | H27 | 174.7° | 174.7° |
| O26 | C26 | C16 | H27 | 122.2° | 122.2° |
| O26 | C26 | C16 | O56 | 168.7° | 168.7° |
| O26 | C26 | C16 | H26 | 69.5° | 69.5° |
| O26 | C26 | C36 | H29 | 57.8° | 57.8° |
| C46 | C56 | C66 | O56 | 122.1° | 122.1° |
| C46 | C56 | C66 | H31 | 118.7° | 118.7° |
| C46 | C56 | O56 | H31 | 118.2° | 118.2° |
| C46 | C56 | O56 | C16 | 66.8° | 66.8° |
| C46 | C56 | C66 | O66 | 86.9° | 86.9° |
| C56 | C46 | C36 | H29 | 58.2° | 58.2° |
| C46 | C56 | C66 | H32 | 153.4° | 153.4° |
| C46 | C56 | C66 | H33 | 32.8° | 32.8° |
| C66 | C56 | O56 | H31 | 118.6° | 118.6° |
| C66 | C56 | O56 | C16 | 170.0° | 170.0° |
| C56 | C66 | O66 | H32 | 119.7° | 119.7° |
| C56 | C66 | O66 | H33 | 119.7° | 119.7° |
| C56 | C66 | H32 | H33 | 120.9° | 120.9° |
| C56 | C66 | O66 | H34 | 180.0° | 180.0° |
| C66 | C56 | C46 | H35 | 63.9° | 63.9° |
| C56 | O56 | C16 | C26 | 59.3° | 59.3° |
| O56 | C56 | C66 | O66 | 35.2° | 35.2° |
| C56 | O56 | C16 | H26 | 180.0° | 180.0° |
| O56 | C56 | C66 | H32 | 84.5° | 84.5° |
| O56 | C56 | C66 | H33 | 154.9° | 154.9° |
| O56 | C56 | C46 | H35 | 58.7° | 58.7° |
| C26 | C16 | O56 | H26 | 120.8° | 120.8° |
| C16 | C26 | O26 | H28 | 59.7° | 59.8° |
| C16 | C26 | C36 | H29 | 60.9° | 60.9° |
| O65 | C65 | C55 | H21 | 62.2° | 62.2° |
| O65 | C65 | H22 | H23 | 121.6° | 121.6° |
| O56 | C16 | C26 | H27 | 69.0° | 69.0° |
| C16 | O56 | C56 | H31 | 51.4° | 51.4° |
| O66 | C66 | C56 | H31 | 154.4° | 154.4° |
| O66 | C66 | H32 | H33 | 121.0° | 121.0° |
| H1 | O88 | C79 | H2 | 62.6° | 62.6° |
| H2 | C79 | C80 | H3 | 176.5° | 176.5° |
| H2 | C79 | C78 | H11 | 54.0° | 54.0° |
| H3 | C80 | O87 | H4 | 56.7° | 56.7° |
| H3 | C80 | C81 | H5 | 179.3° | 179.3° |
| H5 | C81 | O86 | H6 | 59.7° | 59.7° |
| H5 | C81 | C82 | H7 | 177.1° | 177.1° |
| H7 | C82 | C84 | H8 | 58.9° | 58.9° |
| H7 | C82 | C84 | H9 | 60.7° | 60.7° |
| H8 | C84 | O85 | H10 | 59.8° | 59.8° |
| H9 | C84 | O85 | H10 | 59.8° | 59.8° |
| H12 | C64 | C54 | H14 | 69.9° | 69.9° |
| H13 | C64 | C54 | H14 | 169.2° | 169.2° |
| H14 | C54 | C44 | H15 | 174.3° | 174.3° |
| H15 | C44 | C34 | H48 | 175.0° | 175.0° |
| H16 | C15 | C25 | H17 | 55.5° | 55.5° |
| H17 | C25 | O25 | H18 | 60.1° | 60.1° |
| H17 | C25 | C35 | H19 | 176.4° | 176.4° |
| H19 | C35 | O35 | H20 | 59.9° | 59.9° |
| H19 | C35 | C45 | H25 | 175.2° | 175.2° |
| H21 | C55 | C65 | H22 | 57.3° | 57.3° |
| H21 | C55 | C65 | H23 | 178.4° | 178.4° |
| H21 | C55 | C45 | H25 | 174.8° | 174.8° |
| H22 | C65 | O65 | H24 | 60.5° | 60.6° |
| H23 | C65 | O65 | H24 | 60.6° | 60.5° |
| H26 | C16 | C26 | H27 | 52.7° | 52.7° |
| H27 | C26 | O26 | H28 | 61.5° | 61.5° |
| H27 | C26 | C36 | H29 | 177.4° | 177.4° |
| H29 | C36 | O36 | H30 | 63.5° | 63.5° |
| H29 | C36 | C46 | H35 | 179.1° | 179.1° |
| H31 | C56 | C66 | H32 | 34.7° | 34.7° |
| H31 | C56 | C66 | H33 | 85.9° | 85.9° |
| H31 | C56 | C46 | H35 | 177.4° | 177.4° |
| H32 | C66 | O66 | H34 | 60.3° | 60.3° |
| H33 | C66 | O66 | H34 | 60.3° | 60.3° |
| H36 | C17 | C27 | H37 | 53.8° | 53.8° |
| H37 | C27 | O27 | H38 | 61.0° | 61.0° |
| H37 | C27 | C37 | H39 | 176.2° | 176.2° |
| H39 | C37 | O37 | H40 | 63.1° | 63.1° |
| H39 | C37 | C47 | H80 | 175.5° | 175.5° |
| H41 | C57 | C67 | H42 | 28.5° | 28.5° |
| H41 | C57 | C67 | H43 | 92.2° | 92.2° |
| H41 | C57 | C47 | H80 | 177.5° | 177.5° |
| H42 | C67 | O67 | H44 | 60.3° | 60.3° |
| H43 | C67 | O67 | H44 | 60.4° | 60.4° |
| H45 | C14 | C24 | H46 | 60.5° | 60.5° |
| H46 | C24 | O24 | H47 | 61.9° | 61.9° |
| H46 | C24 | C34 | H48 | 178.3° | 178.3° |
| H48 | C34 | O34 | H49 | 61.2° | 61.2° |
| H50 | C43 | C53 | H51 | 162.9° | 162.9° |
| H50 | C43 | C33 | H58 | 166.8° | 166.8° |
| H51 | C53 | C63 | H52 | 82.8° | 82.8° |
| H51 | C53 | C63 | H53 | 156.8° | 156.8° |
| H52 | C63 | O63 | H54 | 60.2° | 60.2° |
| H53 | C63 | O63 | H54 | 60.2° | 60.2° |
| H55 | C13 | C23 | H56 | 62.4° | 62.4° |
| H56 | C23 | O23 | H57 | 60.4° | 60.4° |
| H56 | C23 | C33 | H58 | 176.1° | 176.1° |
| H58 | C33 | O33 | H59 | 61.7° | 61.7° |
| H60 | C42 | C52 | H61 | 164.7° | 164.7° |
| H60 | C42 | C32 | H68 | 172.1° | 172.1° |
| H61 | C52 | C62 | H62 | 80.1° | 80.1° |
| H61 | C52 | C62 | H63 | 158.1° | 158.1° |
| H62 | C62 | O62 | H64 | 60.9° | 61.0° |
| H63 | C62 | O62 | H64 | 60.9° | 60.9° |
| H65 | C12 | C22 | H66 | 58.6° | 58.6° |
| H66 | C22 | O22 | H67 | 61.1° | 61.1° |
| H66 | C22 | C32 | H68 | 178.1° | 178.1° |
| H68 | C32 | O32 | H69 | 58.8° | 58.8° |
| H70 | C41 | C51 | H71 | 175.7° | 175.7° |
| H70 | C41 | C31 | H75 | 175.4° | 175.5° |
| H71 | C51 | C61 | H72 | 59.0° | 59.0° |
| H71 | C51 | C61 | H73 | 60.9° | 60.9° |
| H72 | C61 | O61 | H74 | 59.9° | 60.0° |
| H73 | C61 | O61 | H74 | 59.9° | 59.9° |
| H75 | C31 | O31 | H76 | 59.6° | 59.5° |
| H75 | C31 | C21 | H77 | 176.2° | 176.2° |
| H77 | C21 | O21 | H78 | 60.0° | 60.0° |
| H77 | C21 | C11 | H79 | 56.1° | 56.1° |
