PRD_900012
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O21 | C21 | sing | 1.41Å | 1.41Å | |
O31 | C31 | sing | 1.40Å | 1.40Å | |
O37 | C37 | sing | 1.42Å | 1.42Å | |
C21 | C31 | sing | 1.52Å | 1.52Å | |
C21 | C11 | sing | 1.50Å | 1.50Å | |
C31 | C41 | sing | 1.52Å | 1.52Å | |
O27 | C27 | sing | 1.41Å | 1.41Å | |
O22 | C22 | sing | 1.44Å | 1.44Å | |
C11 | O47 | sing | 1.47Å | 1.47Å | |
C11 | O51 | sing | 1.38Å | 1.38Å | |
C37 | C27 | sing | 1.52Å | 1.52Å | |
C37 | C47 | sing | 1.50Å | 1.50Å | |
C27 | C17 | sing | 1.52Å | 1.52Å | |
C41 | O41 | sing | 1.44Å | 1.44Å | |
C41 | C51 | sing | 1.51Å | 1.51Å | |
O47 | C47 | sing | 1.45Å | 1.45Å | |
O51 | C51 | sing | 1.41Å | 1.41Å | |
C22 | C12 | sing | 1.51Å | 1.51Å | |
C22 | C32 | sing | 1.52Å | 1.52Å | |
C47 | C57 | sing | 1.50Å | 1.50Å | |
C12 | O41 | sing | 1.45Å | 1.45Å | |
C12 | O52 | sing | 1.39Å | 1.39Å | |
C51 | C61 | sing | 1.55Å | 1.55Å | |
O61 | C61 | sing | 1.43Å | 1.43Å | |
C17 | O57 | sing | 1.41Å | 1.41Å | |
C17 | O46 | sing | 1.42Å | 1.42Å | |
O36 | C36 | sing | 1.44Å | 1.44Å | |
O52 | C52 | sing | 1.43Å | 1.43Å | |
O32 | C32 | sing | 1.43Å | 1.43Å | |
C32 | C42 | sing | 1.51Å | 1.51Å | |
C57 | O57 | sing | 1.42Å | 1.42Å | |
C57 | C67 | sing | 1.54Å | 1.54Å | |
O67 | C67 | sing | 1.41Å | 1.41Å | |
O46 | C46 | sing | 1.43Å | 1.43Å | |
C36 | C46 | sing | 1.52Å | 1.52Å | |
C36 | C26 | sing | 1.51Å | 1.51Å | |
C42 | C52 | sing | 1.52Å | 1.52Å | |
C42 | O42 | sing | 1.46Å | 1.46Å | |
C52 | C62 | sing | 1.53Å | 1.53Å | |
C46 | C56 | sing | 1.54Å | 1.54Å | |
O62 | C62 | sing | 1.41Å | 1.41Å | |
C26 | O26 | sing | 1.43Å | 1.43Å | |
C26 | C16 | sing | 1.50Å | 1.50Å | |
O42 | C13 | sing | 1.44Å | 1.44Å | |
O66 | C66 | sing | 1.45Å | 1.45Å | |
C56 | C66 | sing | 1.52Å | 1.52Å | |
C56 | O56 | sing | 1.43Å | 1.43Å | |
O56 | C16 | sing | 1.42Å | 1.42Å | |
C16 | O45 | sing | 1.42Å | 1.42Å | |
C13 | O53 | sing | 1.40Å | 1.40Å | |
C13 | C23 | sing | 1.51Å | 1.51Å | |
O23 | C23 | sing | 1.43Å | 1.43Å | |
O45 | C45 | sing | 1.46Å | 1.46Å | |
O63 | C63 | sing | 1.42Å | 1.42Å | |
O53 | C53 | sing | 1.42Å | 1.42Å | |
C23 | C33 | sing | 1.52Å | 1.52Å | |
C53 | C63 | sing | 1.53Å | 1.53Å | |
C53 | C43 | sing | 1.51Å | 1.51Å | |
O35 | C35 | sing | 1.45Å | 1.45Å | |
C33 | C43 | sing | 1.53Å | 1.53Å | |
C33 | O33 | sing | 1.42Å | 1.42Å | |
C45 | C35 | sing | 1.51Å | 1.51Å | |
C45 | C55 | sing | 1.52Å | 1.52Å | |
C35 | C25 | sing | 1.51Å | 1.51Å | |
C43 | O43 | sing | 1.44Å | 1.44Å | |
O43 | C14 | sing | 1.41Å | 1.41Å | |
C55 | C65 | sing | 1.54Å | 1.54Å | |
C55 | O55 | sing | 1.42Å | 1.42Å | |
C65 | O65 | sing | 1.40Å | 1.40Å | |
O64 | C64 | sing | 1.42Å | 1.42Å | |
O44 | C15 | sing | 1.39Å | 1.39Å | |
O44 | C44 | sing | 1.47Å | 1.47Å | |
C25 | O25 | sing | 1.42Å | 1.42Å | |
C25 | C15 | sing | 1.53Å | 1.53Å | |
C54 | C64 | sing | 1.53Å | 1.53Å | |
C54 | C44 | sing | 1.51Å | 1.51Å | |
C54 | O54 | sing | 1.44Å | 1.44Å | |
C34 | C44 | sing | 1.50Å | 1.50Å | |
C34 | C24 | sing | 1.52Å | 1.52Å | |
C34 | O34 | sing | 1.43Å | 1.43Å | |
C14 | O54 | sing | 1.44Å | 1.44Å | |
C14 | C24 | sing | 1.53Å | 1.53Å | |
O55 | C15 | sing | 1.42Å | 1.42Å | |
O24 | C24 | sing | 1.41Å | 1.41Å | |
C11 | H11 | sing | 1.10Å | 1.10Å | |
C21 | H21 | sing | 1.10Å | 1.10Å | |
O21 | HO21 | sing | 0.95Å | 0.95Å | |
C31 | H31 | sing | 1.10Å | 1.10Å | |
O31 | HO31 | sing | 0.95Å | 0.95Å | |
C41 | H41 | sing | 1.10Å | 1.10Å | |
C51 | H51 | sing | 1.10Å | 1.10Å | |
C61 | H611 | sing | 1.10Å | 1.10Å | |
C61 | H612 | sing | 1.10Å | 1.10Å | |
O61 | HO61 | sing | 0.95Å | 0.95Å | |
C12 | H12 | sing | 1.10Å | 1.10Å | |
C22 | H22 | sing | 1.10Å | 1.10Å | |
O22 | HO22 | sing | 0.95Å | 0.95Å | |
C32 | H32 | sing | 1.10Å | 1.10Å | |
O32 | HO32 | sing | 0.95Å | 0.95Å | |
C42 | H42 | sing | 1.10Å | 1.10Å | |
C52 | H52 | sing | 1.10Å | 1.10Å | |
C62 | H621 | sing | 1.10Å | 1.10Å | |
C62 | H622 | sing | 1.10Å | 1.10Å | |
O62 | HO62 | sing | 0.95Å | 0.95Å | |
C13 | H13 | sing | 1.10Å | 1.10Å | |
C23 | H23 | sing | 1.10Å | 1.10Å | |
O23 | HO23 | sing | 0.95Å | 0.95Å | |
C33 | H33 | sing | 1.10Å | 1.10Å | |
O33 | HO33 | sing | 0.95Å | 0.95Å | |
C43 | H43 | sing | 1.10Å | 1.10Å | |
C53 | H53 | sing | 1.10Å | 1.10Å | |
C63 | H632 | sing | 1.10Å | 1.10Å | |
C63 | H631 | sing | 1.10Å | 1.10Å | |
O63 | HO63 | sing | 0.95Å | 0.95Å | |
C14 | H14 | sing | 1.10Å | 1.10Å | |
C24 | H24 | sing | 1.10Å | 1.10Å | |
O24 | HO24 | sing | 0.95Å | 0.95Å | |
C34 | H34 | sing | 1.10Å | 1.10Å | |
O34 | HO34 | sing | 0.95Å | 0.95Å | |
C44 | H44 | sing | 1.10Å | 1.10Å | |
C54 | H54 | sing | 1.10Å | 1.10Å | |
C64 | H642 | sing | 1.10Å | 1.10Å | |
C64 | H641 | sing | 1.10Å | 1.10Å | |
O64 | HO64 | sing | 0.95Å | 0.95Å | |
C15 | H15 | sing | 1.10Å | 1.10Å | |
C25 | H25 | sing | 1.10Å | 1.10Å | |
O25 | HO25 | sing | 0.95Å | 0.95Å | |
C35 | H35 | sing | 1.10Å | 1.10Å | |
O35 | HO35 | sing | 0.95Å | 0.95Å | |
C45 | H45 | sing | 1.10Å | 1.10Å | |
C55 | H55 | sing | 1.10Å | 1.10Å | |
C65 | H651 | sing | 1.10Å | 1.10Å | |
C65 | H652 | sing | 1.10Å | 1.10Å | |
O65 | HO65 | sing | 0.95Å | 0.95Å | |
C16 | H16 | sing | 1.10Å | 1.10Å | |
C26 | H26 | sing | 1.10Å | 1.10Å | |
O26 | HO26 | sing | 0.95Å | 0.95Å | |
C36 | H36 | sing | 1.10Å | 1.10Å | |
O36 | HO36 | sing | 0.95Å | 0.95Å | |
C46 | H46 | sing | 1.10Å | 1.10Å | |
C56 | H56 | sing | 1.10Å | 1.10Å | |
C66 | H662 | sing | 1.10Å | 1.10Å | |
C66 | H661 | sing | 1.10Å | 1.10Å | |
O66 | HO66 | sing | 0.95Å | 0.95Å | |
C17 | H17 | sing | 1.10Å | 1.10Å | |
C27 | H27 | sing | 1.10Å | 1.10Å | |
O27 | HO27 | sing | 0.95Å | 0.95Å | |
C37 | H37 | sing | 1.10Å | 1.10Å | |
O37 | HO37 | sing | 0.95Å | 0.95Å | |
C47 | H47 | sing | 1.10Å | 1.10Å | |
C57 | H57 | sing | 1.10Å | 1.10Å | |
C67 | H671 | sing | 1.10Å | 1.10Å | |
C67 | H672 | sing | 1.10Å | 1.10Å | |
O67 | HO67 | sing | 0.95Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O21 | C21 | C31 | 111.9° | 111.9° |
O21 | C21 | C11 | 109.1° | 109.1° |
O21 | C21 | H21 | 109.7° | 109.7° |
C21 | O21 | HO21 | 109.5° | 109.5° |
O31 | C31 | C21 | 108.8° | 108.8° |
O31 | C31 | C41 | 111.0° | 111.0° |
O31 | C31 | H31 | 110.3° | 110.3° |
C31 | O31 | HO31 | 109.5° | 109.5° |
O37 | C37 | C27 | 109.1° | 109.1° |
O37 | C37 | C47 | 111.4° | 111.4° |
O37 | C37 | H37 | 109.4° | 109.4° |
C37 | O37 | HO37 | 109.5° | 109.5° |
C31 | C21 | C11 | 109.5° | 109.5° |
C21 | C31 | C41 | 109.3° | 109.3° |
C31 | C21 | H21 | 108.2° | 108.2° |
C21 | C31 | H31 | 108.6° | 108.6° |
C21 | C11 | O47 | 110.9° | 110.9° |
C21 | C11 | O51 | 114.5° | 114.5° |
C21 | C11 | H11 | 106.2° | 106.2° |
C11 | C21 | H21 | 108.4° | 108.5° |
C31 | C41 | O41 | 107.3° | 107.3° |
C31 | C41 | C51 | 109.8° | 109.8° |
C41 | C31 | H31 | 108.8° | 108.8° |
C31 | C41 | H41 | 109.6° | 109.6° |
O27 | C27 | C37 | 110.5° | 110.5° |
O27 | C27 | C17 | 111.1° | 111.1° |
O27 | C27 | H27 | 109.5° | 109.5° |
C27 | O27 | HO27 | 109.5° | 109.5° |
O22 | C22 | C12 | 109.1° | 109.1° |
O22 | C22 | C32 | 110.6° | 110.6° |
O22 | C22 | H22 | 109.6° | 109.6° |
C22 | O22 | HO22 | 109.5° | 109.5° |
O47 | C11 | O51 | 110.6° | 110.6° |
C11 | O47 | C47 | 125.7° | 125.7° |
O47 | C11 | H11 | 106.6° | 106.6° |
C11 | O51 | C51 | 112.6° | 112.6° |
O51 | C11 | H11 | 107.6° | 107.6° |
C27 | C37 | C47 | 110.3° | 110.3° |
C37 | C27 | C17 | 109.7° | 109.7° |
C37 | C27 | H27 | 108.0° | 108.0° |
C27 | C37 | H37 | 108.2° | 108.2° |
C37 | C47 | O47 | 109.4° | 109.4° |
C37 | C47 | C57 | 112.4° | 112.4° |
C47 | C37 | H37 | 108.3° | 108.3° |
C37 | C47 | H47 | 106.9° | 106.9° |
C27 | C17 | O57 | 110.5° | 110.5° |
C27 | C17 | O46 | 106.9° | 106.9° |
C27 | C17 | H17 | 109.0° | 109.0° |
C17 | C27 | H27 | 107.9° | 107.9° |
O41 | C41 | C51 | 109.7° | 109.7° |
C41 | O41 | C12 | 115.1° | 115.1° |
O41 | C41 | H41 | 110.7° | 110.7° |
C41 | C51 | O51 | 110.8° | 110.8° |
C41 | C51 | C61 | 110.5° | 110.5° |
C51 | C41 | H41 | 109.7° | 109.7° |
C41 | C51 | H51 | 109.4° | 109.4° |
O47 | C47 | C57 | 113.2° | 113.2° |
O47 | C47 | H47 | 107.6° | 107.6° |
O51 | C51 | C61 | 106.5° | 106.5° |
O51 | C51 | H51 | 110.8° | 110.8° |
C12 | C22 | C32 | 110.5° | 110.5° |
C22 | C12 | O41 | 110.5° | 110.5° |
C22 | C12 | O52 | 109.5° | 109.5° |
C22 | C12 | H12 | 108.1° | 108.1° |
C12 | C22 | H22 | 108.6° | 108.6° |
C22 | C32 | O32 | 108.6° | 108.6° |
C22 | C32 | C42 | 112.5° | 112.5° |
C32 | C22 | H22 | 108.5° | 108.5° |
C22 | C32 | H32 | 108.1° | 108.1° |
C47 | C57 | O57 | 110.6° | 110.6° |
C47 | C57 | C67 | 111.1° | 111.1° |
C57 | C47 | H47 | 107.0° | 107.0° |
C47 | C57 | H57 | 108.3° | 108.3° |
O41 | C12 | O52 | 110.1° | 110.1° |
O41 | C12 | H12 | 108.9° | 108.9° |
C12 | O52 | C52 | 116.1° | 116.1° |
O52 | C12 | H12 | 109.8° | 109.8° |
C51 | C61 | O61 | 110.5° | 110.5° |
C61 | C51 | H51 | 108.8° | 108.8° |
C51 | C61 | H611 | 109.2° | 109.2° |
C51 | C61 | H612 | 109.2° | 109.2° |
O61 | C61 | H611 | 109.2° | 109.2° |
O61 | C61 | H612 | 109.2° | 109.2° |
C61 | O61 | HO61 | 109.5° | 109.5° |
O57 | C17 | O46 | 109.3° | 109.3° |
C17 | O57 | C57 | 113.0° | 113.0° |
O57 | C17 | H17 | 110.5° | 110.5° |
C17 | O46 | C46 | 115.9° | 115.9° |
O46 | C17 | H17 | 110.5° | 110.5° |
O36 | C36 | C46 | 112.0° | 112.0° |
O36 | C36 | C26 | 108.3° | 108.3° |
O36 | C36 | H36 | 109.6° | 109.6° |
C36 | O36 | HO36 | 109.5° | 109.5° |
O52 | C52 | C42 | 110.2° | 110.2° |
O52 | C52 | C62 | 103.1° | 103.1° |
O52 | C52 | H52 | 110.2° | 110.2° |
O32 | C32 | C42 | 110.2° | 110.2° |
O32 | C32 | H32 | 109.3° | 109.3° |
C32 | O32 | HO32 | 109.5° | 109.5° |
C32 | C42 | C52 | 111.8° | 111.8° |
C32 | C42 | O42 | 102.4° | 102.4° |
C42 | C32 | H32 | 108.2° | 108.2° |
C32 | C42 | H42 | 109.4° | 109.4° |
O57 | C57 | C67 | 109.6° | 109.6° |
O57 | C57 | H57 | 109.4° | 109.4° |
C57 | C67 | O67 | 109.6° | 109.6° |
C67 | C57 | H57 | 107.8° | 107.8° |
C57 | C67 | H671 | 109.4° | 109.4° |
C57 | C67 | H672 | 109.4° | 109.4° |
O67 | C67 | H671 | 109.4° | 109.4° |
O67 | C67 | H672 | 109.5° | 109.5° |
C67 | O67 | HO67 | 109.5° | 109.5° |
O46 | C46 | C36 | 104.7° | 104.7° |
O46 | C46 | C56 | 113.8° | 113.8° |
O46 | C46 | H46 | 110.1° | 110.1° |
C46 | C36 | C26 | 109.7° | 109.7° |
C36 | C46 | C56 | 110.7° | 110.7° |
C46 | C36 | H36 | 108.5° | 108.5° |
C36 | C46 | H46 | 108.8° | 108.8° |
C36 | C26 | O26 | 110.7° | 110.7° |
C36 | C26 | C16 | 112.7° | 112.7° |
C36 | C26 | H26 | 107.2° | 107.2° |
C26 | C36 | H36 | 108.6° | 108.7° |
C52 | C42 | O42 | 113.7° | 113.7° |
C42 | C52 | C62 | 115.2° | 115.2° |
C52 | C42 | H42 | 109.3° | 109.3° |
C42 | C52 | H52 | 109.0° | 109.0° |
C42 | O42 | C13 | 116.5° | 116.5° |
O42 | C42 | H42 | 110.1° | 110.1° |
C52 | C62 | O62 | 111.2° | 111.2° |
C62 | C52 | H52 | 108.9° | 108.9° |
C52 | C62 | H621 | 109.0° | 109.0° |
C52 | C62 | H622 | 109.0° | 109.1° |
C46 | C56 | C66 | 114.5° | 114.5° |
C46 | C56 | O56 | 109.9° | 109.9° |
C56 | C46 | H46 | 108.6° | 108.6° |
C46 | C56 | H56 | 107.9° | 107.9° |
O62 | C62 | H621 | 109.0° | 109.0° |
O62 | C62 | H622 | 109.1° | 109.0° |
C62 | O62 | HO62 | 109.5° | 109.5° |
O26 | C26 | C16 | 110.3° | 110.3° |
O26 | C26 | H26 | 108.3° | 108.3° |
C26 | O26 | HO26 | 109.5° | 109.5° |
C26 | C16 | O56 | 110.2° | 110.2° |
C26 | C16 | O45 | 106.8° | 106.8° |
C26 | C16 | H16 | 108.8° | 108.8° |
C16 | C26 | H26 | 107.3° | 107.3° |
O42 | C13 | O53 | 110.9° | 110.9° |
O42 | C13 | C23 | 109.0° | 109.0° |
O42 | C13 | H13 | 108.7° | 108.7° |
O66 | C66 | C56 | 111.6° | 111.6° |
O66 | C66 | H662 | 109.0° | 109.0° |
O66 | C66 | H661 | 109.0° | 109.0° |
C66 | O66 | HO66 | 109.5° | 109.5° |
C66 | C56 | O56 | 107.0° | 107.0° |
C66 | C56 | H56 | 108.1° | 108.1° |
C56 | C66 | H662 | 108.9° | 108.9° |
C56 | C66 | H661 | 109.0° | 109.0° |
C56 | O56 | C16 | 113.2° | 113.2° |
O56 | C56 | H56 | 109.3° | 109.3° |
O56 | C16 | O45 | 111.0° | 111.0° |
O56 | C16 | H16 | 110.0° | 110.0° |
C16 | O45 | C45 | 118.7° | 118.7° |
O45 | C16 | H16 | 109.9° | 109.9° |
O53 | C13 | C23 | 110.9° | 110.9° |
C13 | O53 | C53 | 114.3° | 114.3° |
O53 | C13 | H13 | 109.4° | 109.4° |
C13 | C23 | O23 | 112.4° | 112.4° |
C13 | C23 | C33 | 112.3° | 112.3° |
C23 | C13 | H13 | 107.8° | 107.8° |
C13 | C23 | H23 | 106.1° | 106.1° |
O23 | C23 | C33 | 112.2° | 112.2° |
O23 | C23 | H23 | 107.1° | 107.1° |
C23 | O23 | HO23 | 109.5° | 109.5° |
O45 | C45 | C35 | 106.1° | 106.1° |
O45 | C45 | C55 | 109.0° | 109.0° |
O45 | C45 | H45 | 110.6° | 110.6° |
O63 | C63 | C53 | 108.8° | 108.8° |
O63 | C63 | H632 | 109.6° | 109.6° |
O63 | C63 | H631 | 109.6° | 109.7° |
C63 | O63 | HO63 | 109.5° | 109.5° |
O53 | C53 | C63 | 106.9° | 106.9° |
O53 | C53 | C43 | 108.1° | 108.1° |
O53 | C53 | H53 | 110.5° | 110.5° |
C23 | C33 | C43 | 109.2° | 109.2° |
C23 | C33 | O33 | 108.3° | 108.3° |
C33 | C23 | H23 | 106.1° | 106.1° |
C23 | C33 | H33 | 108.9° | 108.9° |
C63 | C53 | C43 | 113.0° | 113.0° |
C63 | C53 | H53 | 109.0° | 109.0° |
C53 | C63 | H632 | 109.7° | 109.7° |
C53 | C63 | H631 | 109.7° | 109.7° |
C53 | C43 | C33 | 110.2° | 110.2° |
C53 | C43 | O43 | 111.3° | 111.3° |
C53 | C43 | H43 | 108.9° | 108.9° |
C43 | C53 | H53 | 109.3° | 109.3° |
O35 | C35 | C45 | 110.8° | 110.8° |
O35 | C35 | C25 | 112.0° | 112.0° |
O35 | C35 | H35 | 108.0° | 108.1° |
C35 | O35 | HO35 | 109.5° | 109.5° |
C43 | C33 | O33 | 111.2° | 111.2° |
C33 | C43 | O43 | 107.7° | 107.7° |
C43 | C33 | H33 | 108.8° | 108.8° |
C33 | C43 | H43 | 108.7° | 108.7° |
O33 | C33 | H33 | 110.3° | 110.3° |
C33 | O33 | HO33 | 109.5° | 109.5° |
C35 | C45 | C55 | 111.2° | 111.2° |
C45 | C35 | C25 | 111.2° | 111.2° |
C45 | C35 | H35 | 107.3° | 107.3° |
C35 | C45 | H45 | 110.0° | 110.0° |
C45 | C55 | C65 | 111.2° | 111.2° |
C45 | C55 | O55 | 111.6° | 111.6° |
C55 | C45 | H45 | 109.9° | 109.9° |
C45 | C55 | H55 | 109.1° | 109.1° |
C35 | C25 | O25 | 112.0° | 112.0° |
C35 | C25 | C15 | 110.9° | 110.9° |
C35 | C25 | H25 | 108.3° | 108.3° |
C25 | C35 | H35 | 107.3° | 107.3° |
C43 | O43 | C14 | 115.6° | 115.6° |
O43 | C43 | H43 | 109.9° | 109.9° |
O43 | C14 | O54 | 110.9° | 110.9° |
O43 | C14 | C24 | 109.5° | 109.5° |
O43 | C14 | H14 | 109.3° | 109.3° |
C65 | C55 | O55 | 105.6° | 105.6° |
C55 | C65 | O65 | 112.5° | 112.5° |
C65 | C55 | H55 | 108.8° | 108.8° |
C55 | C65 | H651 | 108.7° | 108.7° |
C55 | C65 | H652 | 108.7° | 108.7° |
C55 | O55 | C15 | 114.0° | 114.0° |
O55 | C55 | H55 | 110.4° | 110.4° |
O65 | C65 | H651 | 108.7° | 108.7° |
O65 | C65 | H652 | 108.7° | 108.7° |
C65 | O65 | HO65 | 109.5° | 109.5° |
O64 | C64 | C54 | 113.0° | 113.0° |
O64 | C64 | H642 | 108.6° | 108.6° |
O64 | C64 | H641 | 108.6° | 108.6° |
C64 | O64 | HO64 | 109.5° | 109.5° |
C15 | O44 | C44 | 116.3° | 116.3° |
O44 | C15 | C25 | 108.9° | 108.9° |
O44 | C15 | O55 | 110.5° | 110.5° |
O44 | C15 | H15 | 110.2° | 110.2° |
O44 | C44 | C54 | 108.5° | 108.5° |
O44 | C44 | C34 | 107.6° | 107.6° |
O44 | C44 | H44 | 109.9° | 109.9° |
O25 | C25 | C15 | 107.9° | 107.9° |
O25 | C25 | H25 | 109.6° | 109.5° |
C25 | O25 | HO25 | 109.5° | 109.5° |
C25 | C15 | O55 | 109.0° | 109.0° |
C25 | C15 | H15 | 108.4° | 108.4° |
C15 | C25 | H25 | 108.1° | 108.1° |
C64 | C54 | C44 | 111.8° | 111.8° |
C64 | C54 | O54 | 105.6° | 105.6° |
C64 | C54 | H54 | 109.4° | 109.4° |
C54 | C64 | H642 | 108.6° | 108.6° |
C54 | C64 | H641 | 108.6° | 108.6° |
C44 | C54 | O54 | 109.7° | 109.7° |
C54 | C44 | C34 | 112.2° | 112.2° |
C54 | C44 | H44 | 109.3° | 109.3° |
C44 | C54 | H54 | 109.6° | 109.6° |
C54 | O54 | C14 | 114.8° | 114.8° |
O54 | C54 | H54 | 110.7° | 110.7° |
C44 | C34 | C24 | 111.9° | 111.9° |
C44 | C34 | O34 | 111.0° | 111.0° |
C44 | C34 | H34 | 108.4° | 108.4° |
C34 | C44 | H44 | 109.4° | 109.4° |
C24 | C34 | O34 | 108.1° | 108.1° |
C34 | C24 | C14 | 111.2° | 111.2° |
C34 | C24 | O24 | 111.5° | 111.5° |
C34 | C24 | H24 | 108.2° | 108.2° |
C24 | C34 | H34 | 108.1° | 108.1° |
O34 | C34 | H34 | 109.4° | 109.3° |
C34 | O34 | HO34 | 109.5° | 109.5° |
O54 | C14 | C24 | 110.5° | 110.5° |
O54 | C14 | H14 | 108.8° | 108.8° |
C14 | C24 | O24 | 108.1° | 108.1° |
C24 | C14 | H14 | 107.7° | 107.7° |
C14 | C24 | H24 | 108.2° | 108.2° |
O55 | C15 | H15 | 109.8° | 109.8° |
O24 | C24 | H24 | 109.7° | 109.7° |
C24 | O24 | HO24 | 109.5° | 109.5° |
H611 | C61 | H612 | 109.5° | 109.5° |
H621 | C62 | H622 | 109.5° | 109.5° |
H632 | C63 | H631 | 109.5° | 109.4° |
H642 | C64 | H641 | 109.4° | 109.5° |
H651 | C65 | H652 | 109.4° | 109.4° |
H662 | C66 | H661 | 109.4° | 109.4° |
H671 | C67 | H672 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O21 | C21 | C31 | O31 | 66.4° | 66.4° |
O21 | C21 | C31 | C11 | 121.0° | 121.0° |
O21 | C21 | C31 | H21 | 120.9° | 120.9° |
O21 | C21 | C11 | H21 | 119.4° | 119.4° |
O21 | C21 | C31 | C41 | 172.2° | 172.2° |
O21 | C21 | C11 | O47 | 50.1° | 50.1° |
O21 | C21 | C11 | O51 | 176.1° | 176.1° |
O21 | C21 | C11 | H11 | 65.2° | 65.2° |
O21 | C21 | C31 | H31 | 53.7° | 53.7° |
O31 | C31 | C21 | C41 | 121.4° | 121.4° |
O31 | C31 | C21 | H31 | 120.1° | 120.1° |
O31 | C31 | C21 | C11 | 172.5° | 172.5° |
O31 | C31 | C41 | H31 | 121.5° | 121.5° |
O31 | C31 | C41 | O41 | 66.1° | 66.1° |
O31 | C31 | C41 | C51 | 174.7° | 174.7° |
O31 | C31 | C21 | H21 | 54.5° | 54.5° |
O31 | C31 | C41 | H41 | 54.1° | 54.1° |
O37 | C37 | C27 | O27 | 62.8° | 62.8° |
O37 | C37 | C27 | C47 | 122.7° | 122.7° |
O37 | C37 | C27 | H37 | 119.0° | 119.0° |
O37 | C37 | C47 | H37 | 120.4° | 120.4° |
O37 | C37 | C27 | C17 | 174.4° | 174.4° |
O37 | C37 | C47 | O47 | 61.1° | 61.1° |
O37 | C37 | C47 | C57 | 172.3° | 172.3° |
O37 | C37 | C27 | H27 | 57.0° | 57.0° |
O37 | C37 | C47 | H47 | 55.2° | 55.2° |
C31 | C21 | C11 | H21 | 117.9° | 117.9° |
C21 | C31 | C41 | H31 | 118.4° | 118.4° |
C31 | C21 | C11 | O47 | 72.6° | 72.6° |
C31 | C21 | C11 | O51 | 53.4° | 53.4° |
C21 | C31 | C41 | O41 | 173.8° | 173.8° |
C21 | C31 | C41 | C51 | 54.6° | 54.6° |
C31 | C21 | C11 | H11 | 172.0° | 172.0° |
C31 | C21 | O21 | HO21 | 180.0° | 180.0° |
C21 | C31 | O31 | HO31 | 180.0° | 180.0° |
C21 | C31 | C41 | H41 | 65.9° | 65.9° |
C11 | C21 | C31 | C41 | 51.1° | 51.1° |
C21 | C11 | O47 | O51 | 128.2° | 128.2° |
C21 | C11 | O47 | H11 | 115.1° | 115.1° |
C21 | C11 | O51 | H11 | 117.8° | 117.8° |
C21 | C11 | O47 | C47 | 127.1° | 127.1° |
C21 | C11 | O51 | C51 | 57.9° | 57.9° |
C11 | C21 | O21 | HO21 | 58.7° | 58.7° |
C11 | C21 | C31 | H31 | 67.4° | 67.4° |
C31 | C41 | O41 | C51 | 119.2° | 119.2° |
C31 | C41 | O41 | H41 | 119.6° | 119.5° |
C31 | C41 | C51 | H41 | 120.5° | 120.5° |
C31 | C41 | C51 | O51 | 58.3° | 58.3° |
C31 | C41 | O41 | C12 | 108.9° | 108.9° |
C31 | C41 | C51 | C61 | 176.1° | 176.1° |
C41 | C31 | C21 | H21 | 66.9° | 66.9° |
C41 | C31 | O31 | HO31 | 59.7° | 59.7° |
C31 | C41 | C51 | H51 | 64.1° | 64.1° |
O27 | C27 | C37 | C17 | 122.8° | 122.8° |
O27 | C27 | C37 | H27 | 119.8° | 119.8° |
O27 | C27 | C37 | C47 | 174.5° | 174.5° |
O27 | C27 | C17 | H27 | 120.1° | 120.1° |
O27 | C27 | C17 | O57 | 179.3° | 179.3° |
O27 | C27 | C17 | O46 | 60.4° | 60.4° |
O27 | C27 | C17 | H17 | 59.0° | 59.0° |
O27 | C27 | C37 | H37 | 56.2° | 56.2° |
O22 | C22 | C12 | C32 | 121.7° | 121.7° |
O22 | C22 | C12 | H22 | 119.4° | 119.4° |
O22 | C22 | C32 | H22 | 120.2° | 120.2° |
O22 | C22 | C12 | O41 | 56.1° | 56.1° |
O22 | C22 | C12 | O52 | 177.4° | 177.4° |
O22 | C22 | C32 | O32 | 66.5° | 66.5° |
O22 | C22 | C32 | C42 | 171.4° | 171.4° |
O22 | C22 | C12 | H12 | 63.0° | 63.0° |
O22 | C22 | C32 | H32 | 52.0° | 52.0° |
O47 | C11 | O51 | H11 | 116.0° | 116.0° |
C11 | O47 | C47 | C37 | 113.8° | 113.8° |
O47 | C11 | O51 | C51 | 68.3° | 68.3° |
C11 | O47 | C47 | C57 | 120.0° | 120.0° |
O47 | C11 | C21 | H21 | 169.5° | 169.5° |
C11 | O47 | C47 | H47 | 2.0° | 2.0° |
C11 | O51 | C51 | C41 | 59.4° | 59.4° |
O51 | C11 | O47 | C47 | 104.8° | 104.8° |
C11 | O51 | C51 | C61 | 179.6° | 179.6° |
O51 | C11 | C21 | H21 | 64.5° | 64.5° |
C11 | O51 | C51 | H51 | 62.2° | 62.2° |
C27 | C37 | C47 | H37 | 118.2° | 118.2° |
C37 | C27 | C17 | H27 | 117.5° | 117.5° |
C27 | C37 | C47 | O47 | 177.6° | 177.6° |
C27 | C37 | C47 | C57 | 51.0° | 51.0° |
C37 | C27 | C17 | O57 | 56.8° | 56.8° |
C37 | C27 | C17 | O46 | 62.0° | 62.0° |
C37 | C27 | C17 | H17 | 178.5° | 178.5° |
C37 | C27 | O27 | HO27 | 180.0° | 180.0° |
C27 | C37 | O37 | HO37 | 180.0° | 180.0° |
C27 | C37 | C47 | H47 | 66.1° | 66.1° |
C47 | C37 | C27 | C17 | 51.7° | 51.7° |
C37 | C47 | O47 | C57 | 126.2° | 126.2° |
C37 | C47 | O47 | H47 | 115.8° | 115.8° |
C37 | C47 | C57 | H47 | 117.1° | 117.1° |
C37 | C47 | C57 | O57 | 53.5° | 53.5° |
C37 | C47 | C57 | C67 | 175.4° | 175.4° |
C47 | C37 | C27 | H27 | 65.7° | 65.7° |
C47 | C37 | O37 | HO37 | 58.0° | 58.0° |
C37 | C47 | C57 | H57 | 66.4° | 66.3° |
C27 | C17 | O57 | O46 | 117.4° | 117.4° |
C27 | C17 | O57 | H17 | 120.8° | 120.8° |
C27 | C17 | O46 | H17 | 118.5° | 118.5° |
C27 | C17 | O57 | C57 | 61.5° | 61.5° |
C27 | C17 | O46 | C46 | 128.5° | 128.5° |
C17 | C27 | O27 | HO27 | 58.0° | 58.0° |
C17 | C27 | C37 | H37 | 66.6° | 66.6° |
O41 | C41 | C51 | H41 | 121.8° | 121.8° |
O41 | C41 | C51 | O51 | 175.9° | 175.9° |
C41 | O41 | C12 | C22 | 134.0° | 134.0° |
C41 | O41 | C12 | O52 | 104.9° | 104.9° |
O41 | C41 | C51 | C61 | 66.2° | 66.2° |
O41 | C41 | C31 | H31 | 55.4° | 55.4° |
O41 | C41 | C51 | H51 | 53.6° | 53.6° |
C41 | O41 | C12 | H12 | 15.4° | 15.4° |
C41 | C51 | O51 | C61 | 120.2° | 120.2° |
C41 | C51 | O51 | H51 | 121.6° | 121.6° |
C51 | C41 | O41 | C12 | 131.8° | 131.8° |
C41 | C51 | C61 | H51 | 120.1° | 120.1° |
C41 | C51 | C61 | O61 | 62.6° | 62.6° |
C51 | C41 | C31 | H31 | 63.8° | 63.8° |
C41 | C51 | C61 | H611 | 177.3° | 177.3° |
C41 | C51 | C61 | H612 | 57.6° | 57.6° |
O47 | C47 | C57 | H47 | 118.4° | 118.4° |
O47 | C47 | C57 | O57 | 178.1° | 178.1° |
O47 | C47 | C57 | C67 | 60.0° | 60.0° |
C47 | O47 | C11 | H11 | 12.0° | 12.0° |
O47 | C47 | C37 | H37 | 59.3° | 59.3° |
O47 | C47 | C57 | H57 | 58.2° | 58.2° |
O51 | C51 | C61 | H51 | 119.5° | 119.5° |
O51 | C51 | C61 | O61 | 57.9° | 57.9° |
C51 | O51 | C11 | H11 | 175.7° | 175.7° |
O51 | C51 | C41 | H41 | 62.2° | 62.2° |
O51 | C51 | C61 | H611 | 62.3° | 62.3° |
O51 | C51 | C61 | H612 | 178.0° | 178.0° |
C12 | C22 | C32 | H22 | 118.9° | 118.9° |
C22 | C12 | O41 | O52 | 121.0° | 121.0° |
C22 | C12 | O41 | H12 | 118.6° | 118.6° |
C22 | C12 | O52 | H12 | 118.5° | 118.5° |
C22 | C12 | O52 | C52 | 61.8° | 61.8° |
C12 | C22 | C32 | O32 | 172.7° | 172.7° |
C12 | C22 | C32 | C42 | 50.5° | 50.5° |
C12 | C22 | O22 | HO22 | 180.0° | 180.0° |
C12 | C22 | C32 | H32 | 68.9° | 68.9° |
C32 | C22 | C12 | O41 | 65.7° | 65.7° |
C32 | C22 | C12 | O52 | 55.7° | 55.7° |
C22 | C32 | O32 | C42 | 123.6° | 123.6° |
C22 | C32 | O32 | H32 | 117.7° | 117.7° |
C22 | C32 | C42 | H32 | 119.3° | 119.3° |
C22 | C32 | C42 | C52 | 47.4° | 47.4° |
C22 | C32 | C42 | O42 | 169.4° | 169.4° |
C32 | C22 | C12 | H12 | 175.2° | 175.2° |
C32 | C22 | O22 | HO22 | 58.3° | 58.3° |
C22 | C32 | O32 | HO32 | 180.0° | 180.0° |
C22 | C32 | C42 | H42 | 73.8° | 73.8° |
C47 | C57 | O57 | C17 | 59.2° | 59.2° |
C47 | C57 | O57 | C67 | 122.8° | 122.8° |
C47 | C57 | O57 | H57 | 119.2° | 119.2° |
C47 | C57 | C67 | H57 | 118.5° | 118.5° |
C47 | C57 | C67 | O67 | 63.9° | 63.9° |
C57 | C47 | C37 | H37 | 67.3° | 67.3° |
C47 | C57 | C67 | H671 | 176.1° | 176.1° |
C47 | C57 | C67 | H672 | 56.2° | 56.2° |
O41 | C12 | O52 | H12 | 119.9° | 119.9° |
O41 | C12 | O52 | C52 | 59.7° | 59.7° |
C12 | O41 | C41 | H41 | 10.6° | 10.6° |
O41 | C12 | C22 | H22 | 175.4° | 175.4° |
C12 | O52 | C52 | C42 | 58.2° | 58.2° |
C12 | O52 | C52 | C62 | 178.3° | 178.3° |
O52 | C12 | C22 | H22 | 63.2° | 63.2° |
C12 | O52 | C52 | H52 | 62.2° | 62.2° |
C51 | C61 | O61 | H611 | 120.1° | 120.1° |
C51 | C61 | O61 | H612 | 120.2° | 120.2° |
C61 | C51 | C41 | H41 | 55.6° | 55.6° |
C51 | C61 | H611 | H612 | 119.5° | 119.5° |
C51 | C61 | O61 | HO61 | 180.0° | 180.0° |
O61 | C61 | C51 | H51 | 177.3° | 177.3° |
O61 | C61 | H611 | H612 | 119.5° | 119.5° |
O57 | C17 | O46 | H17 | 121.9° | 121.9° |
C17 | O57 | C57 | C67 | 178.0° | 178.0° |
O57 | C17 | O46 | C46 | 111.8° | 111.8° |
O57 | C17 | C27 | H27 | 60.6° | 60.6° |
C17 | O57 | C57 | H57 | 60.0° | 60.0° |
O46 | C17 | O57 | C57 | 55.8° | 55.8° |
C17 | O46 | C46 | C36 | 153.1° | 153.1° |
C17 | O46 | C46 | C56 | 86.0° | 86.0° |
C17 | O46 | C46 | H46 | 36.2° | 36.2° |
O46 | C17 | C27 | H27 | 179.5° | 179.5° |
O36 | C36 | C46 | O46 | 66.1° | 66.1° |
O36 | C36 | C46 | C26 | 120.3° | 120.3° |
O36 | C36 | C46 | H36 | 121.2° | 121.1° |
O36 | C36 | C26 | H36 | 119.0° | 119.0° |
O36 | C36 | C46 | C56 | 170.9° | 170.9° |
O36 | C36 | C26 | O26 | 62.0° | 62.0° |
O36 | C36 | C26 | C16 | 173.8° | 173.8° |
O36 | C36 | C26 | H26 | 55.9° | 55.9° |
O36 | C36 | C46 | H46 | 51.6° | 51.6° |
O52 | C52 | C42 | C32 | 48.5° | 48.5° |
O52 | C52 | C42 | C62 | 116.2° | 116.2° |
O52 | C52 | C42 | H52 | 121.1° | 121.1° |
O52 | C52 | C42 | O42 | 163.9° | 163.9° |
O52 | C52 | C62 | H52 | 117.1° | 117.1° |
O52 | C52 | C62 | O62 | 41.6° | 41.6° |
C52 | O52 | C12 | H12 | 179.6° | 179.6° |
O52 | C52 | C42 | H42 | 72.7° | 72.7° |
O52 | C52 | C62 | H621 | 161.8° | 161.8° |
O52 | C52 | C62 | H622 | 78.7° | 78.7° |
O32 | C32 | C42 | H32 | 119.4° | 119.4° |
O32 | C32 | C42 | C52 | 168.7° | 168.7° |
O32 | C32 | C42 | O42 | 69.3° | 69.3° |
O32 | C32 | C22 | H22 | 53.7° | 53.7° |
O32 | C32 | C42 | H42 | 47.5° | 47.5° |
C32 | C42 | C52 | O42 | 115.4° | 115.4° |
C32 | C42 | C52 | H42 | 121.2° | 121.2° |
C32 | C42 | O42 | H42 | 116.3° | 116.3° |
C32 | C42 | C52 | C62 | 164.7° | 164.7° |
C32 | C42 | O42 | C13 | 171.9° | 171.9° |
C42 | C32 | C22 | H22 | 68.5° | 68.5° |
C42 | C32 | O32 | HO32 | 56.5° | 56.5° |
C32 | C42 | C52 | H52 | 72.6° | 72.6° |
O57 | C57 | C67 | H57 | 119.0° | 118.9° |
O57 | C57 | C67 | O67 | 58.6° | 58.6° |
C57 | O57 | C17 | H17 | 177.7° | 177.7° |
O57 | C57 | C47 | H47 | 63.5° | 63.5° |
O57 | C57 | C67 | H671 | 61.4° | 61.4° |
O57 | C57 | C67 | H672 | 178.7° | 178.7° |
C57 | C67 | O67 | H671 | 120.0° | 120.0° |
C57 | C67 | O67 | H672 | 120.0° | 120.0° |
C67 | C57 | C47 | H47 | 58.4° | 58.4° |
C57 | C67 | H671 | H672 | 119.9° | 119.9° |
C57 | C67 | O67 | HO67 | 180.0° | 180.0° |
O67 | C67 | C57 | H57 | 177.7° | 177.6° |
O67 | C67 | H671 | H672 | 120.0° | 120.0° |
O46 | C46 | C36 | C56 | 123.0° | 123.0° |
O46 | C46 | C36 | H46 | 117.7° | 117.7° |
O46 | C46 | C36 | C26 | 173.6° | 173.6° |
O46 | C46 | C56 | H46 | 123.0° | 123.0° |
O46 | C46 | C56 | C66 | 66.8° | 66.8° |
O46 | C46 | C56 | O56 | 172.8° | 172.8° |
O46 | C46 | C36 | H36 | 55.1° | 55.0° |
O46 | C46 | C56 | H56 | 53.7° | 53.7° |
C46 | O46 | C17 | H17 | 10.0° | 10.0° |
C46 | C36 | C26 | H36 | 118.5° | 118.5° |
C36 | C46 | C56 | H46 | 119.4° | 119.4° |
C46 | C36 | C26 | O26 | 175.5° | 175.5° |
C46 | C36 | C26 | C16 | 51.3° | 51.3° |
C36 | C46 | C56 | C66 | 175.7° | 175.7° |
C36 | C46 | C56 | O56 | 55.2° | 55.2° |
C46 | C36 | C26 | H26 | 66.6° | 66.6° |
C46 | C36 | O36 | HO36 | 180.0° | 180.0° |
C36 | C46 | C56 | H56 | 63.9° | 63.9° |
C26 | C36 | C46 | C56 | 50.6° | 50.6° |
C36 | C26 | O26 | C16 | 125.5° | 125.5° |
C36 | C26 | O26 | H26 | 117.3° | 117.3° |
C36 | C26 | C16 | H26 | 117.9° | 117.9° |
C36 | C26 | C16 | O56 | 55.5° | 55.5° |
C36 | C26 | C16 | O45 | 65.2° | 65.2° |
C36 | C26 | C16 | H16 | 176.2° | 176.2° |
C36 | C26 | O26 | HO26 | 180.0° | 180.0° |
C26 | C36 | O36 | HO36 | 58.9° | 58.9° |
C26 | C36 | C46 | H46 | 68.6° | 68.6° |
C52 | C42 | O42 | H42 | 122.9° | 122.9° |
C42 | C52 | C62 | H52 | 122.8° | 122.8° |
C42 | C52 | C62 | O62 | 161.7° | 161.7° |
C52 | C42 | O42 | C13 | 67.3° | 67.3° |
C52 | C42 | C32 | H32 | 72.0° | 72.0° |
C42 | C52 | C62 | H621 | 78.0° | 78.0° |
C42 | C52 | C62 | H622 | 41.4° | 41.5° |
O42 | C42 | C52 | C62 | 79.9° | 79.9° |
C42 | O42 | C13 | O53 | 89.7° | 89.7° |
C42 | O42 | C13 | C23 | 147.8° | 147.8° |
O42 | C42 | C32 | H32 | 50.1° | 50.1° |
O42 | C42 | C52 | H52 | 42.8° | 42.8° |
C42 | O42 | C13 | H13 | 30.6° | 30.6° |
C52 | C62 | O62 | H621 | 120.3° | 120.3° |
C52 | C62 | O62 | H622 | 120.2° | 120.3° |
C62 | C52 | C42 | H42 | 43.5° | 43.5° |
C52 | C62 | H621 | H622 | 119.2° | 119.2° |
C52 | C62 | O62 | HO62 | 180.0° | 180.0° |
C46 | C56 | C66 | O66 | 62.3° | 62.3° |
C46 | C56 | C66 | O56 | 122.1° | 122.1° |
C46 | C56 | C66 | H56 | 120.3° | 120.3° |
C46 | C56 | O56 | H56 | 118.2° | 118.2° |
C46 | C56 | O56 | C16 | 61.0° | 61.0° |
C56 | C46 | C36 | H36 | 67.9° | 68.0° |
C46 | C56 | C66 | H662 | 58.1° | 58.1° |
C46 | C56 | C66 | H661 | 177.4° | 177.4° |
O62 | C62 | C52 | H52 | 75.5° | 75.5° |
O62 | C62 | H621 | H622 | 119.2° | 119.2° |
O26 | C26 | C16 | H26 | 117.8° | 117.8° |
O26 | C26 | C16 | O56 | 179.9° | 179.9° |
O26 | C26 | C16 | O45 | 59.2° | 59.2° |
O26 | C26 | C16 | H16 | 59.4° | 59.4° |
O26 | C26 | C36 | H36 | 57.0° | 57.0° |
C26 | C16 | O56 | C56 | 60.7° | 60.7° |
C26 | C16 | O56 | O45 | 118.1° | 118.1° |
C26 | C16 | O56 | H16 | 120.0° | 120.0° |
C26 | C16 | O45 | H16 | 117.9° | 117.9° |
C26 | C16 | O45 | C45 | 141.0° | 141.0° |
C16 | C26 | O26 | HO26 | 54.5° | 54.5° |
C16 | C26 | C36 | H36 | 67.2° | 67.2° |
O42 | C13 | O53 | C23 | 121.3° | 121.3° |
O42 | C13 | O53 | H13 | 119.9° | 119.9° |
O42 | C13 | C23 | H13 | 117.9° | 117.9° |
O42 | C13 | C23 | O23 | 56.7° | 56.7° |
O42 | C13 | O53 | C53 | 62.0° | 62.0° |
O42 | C13 | C23 | C33 | 71.0° | 71.0° |
C13 | O42 | C42 | H42 | 55.6° | 55.6° |
O42 | C13 | C23 | H23 | 173.5° | 173.5° |
O66 | C66 | C56 | H662 | 120.3° | 120.3° |
O66 | C66 | C56 | H661 | 120.3° | 120.3° |
O66 | C66 | C56 | O56 | 59.8° | 59.8° |
O66 | C66 | C56 | H56 | 177.4° | 177.4° |
O66 | C66 | H662 | H661 | 119.1° | 119.1° |
C66 | C56 | O56 | H56 | 116.8° | 116.8° |
C66 | C56 | O56 | C16 | 174.1° | 174.1° |
C66 | C56 | C46 | H46 | 56.3° | 56.3° |
C56 | C66 | H662 | H661 | 119.0° | 119.0° |
C56 | C66 | O66 | HO66 | 180.0° | 180.0° |
C56 | O56 | C16 | O45 | 57.4° | 57.4° |
C56 | O56 | C16 | H16 | 179.3° | 179.3° |
O56 | C56 | C46 | H46 | 64.2° | 64.2° |
O56 | C56 | C66 | H662 | 179.8° | 179.8° |
O56 | C56 | C66 | H661 | 60.5° | 60.5° |
O56 | C16 | O45 | H16 | 122.0° | 122.0° |
O56 | C16 | O45 | C45 | 98.9° | 98.9° |
O56 | C16 | C26 | H26 | 62.4° | 62.4° |
C16 | O56 | C56 | H56 | 57.3° | 57.3° |
C16 | O45 | C45 | C35 | 127.1° | 127.1° |
C16 | O45 | C45 | C55 | 113.1° | 113.1° |
C16 | O45 | C45 | H45 | 7.8° | 7.8° |
O45 | C16 | C26 | H26 | 177.0° | 177.0° |
O53 | C13 | C23 | H13 | 119.7° | 119.7° |
O53 | C13 | C23 | O23 | 179.2° | 179.2° |
O53 | C13 | C23 | C33 | 51.4° | 51.4° |
C13 | O53 | C53 | C63 | 174.5° | 174.5° |
C13 | O53 | C53 | C43 | 63.5° | 63.5° |
O53 | C13 | C23 | H23 | 64.1° | 64.1° |
C13 | O53 | C53 | H53 | 56.0° | 56.0° |
C13 | C23 | O23 | C33 | 127.8° | 127.8° |
C13 | C23 | O23 | H23 | 116.2° | 116.2° |
C23 | C13 | O53 | C53 | 59.4° | 59.4° |
C13 | C23 | C33 | H23 | 115.5° | 115.5° |
C13 | C23 | C33 | C43 | 49.4° | 49.4° |
C13 | C23 | C33 | O33 | 170.7° | 170.7° |
C13 | C23 | O23 | HO23 | 180.0° | 180.0° |
C13 | C23 | C33 | H33 | 69.3° | 69.3° |
O23 | C23 | C33 | H23 | 116.6° | 116.6° |
O23 | C23 | C33 | C43 | 177.3° | 177.3° |
O23 | C23 | C33 | O33 | 61.5° | 61.5° |
O23 | C23 | C13 | H13 | 61.1° | 61.1° |
O23 | C23 | C33 | H33 | 58.5° | 58.5° |
O45 | C45 | C35 | O35 | 66.6° | 66.6° |
O45 | C45 | C35 | C55 | 118.4° | 118.4° |
O45 | C45 | C35 | H45 | 119.7° | 119.7° |
O45 | C45 | C55 | H45 | 121.4° | 121.4° |
O45 | C45 | C35 | C25 | 168.1° | 168.1° |
O45 | C45 | C55 | C65 | 73.6° | 73.6° |
O45 | C45 | C55 | O55 | 168.7° | 168.7° |
O45 | C45 | C35 | H35 | 51.1° | 51.1° |
O45 | C45 | C55 | H55 | 46.4° | 46.4° |
C45 | O45 | C16 | H16 | 23.1° | 23.1° |
O63 | C63 | C53 | O53 | 67.4° | 67.4° |
O63 | C63 | C53 | H632 | 119.9° | 119.9° |
O63 | C63 | C53 | H631 | 119.9° | 119.9° |
O63 | C63 | C53 | C43 | 173.8° | 173.8° |
O63 | C63 | C53 | H53 | 52.1° | 52.1° |
O63 | C63 | H632 | H631 | 120.3° | 120.3° |
O53 | C53 | C63 | C43 | 118.8° | 118.8° |
O53 | C53 | C63 | H53 | 119.5° | 119.5° |
O53 | C53 | C43 | H53 | 120.3° | 120.3° |
O53 | C53 | C43 | C33 | 59.4° | 59.4° |
O53 | C53 | C43 | O43 | 178.9° | 178.9° |
C53 | O53 | C13 | H13 | 178.1° | 178.1° |
O53 | C53 | C43 | H43 | 59.8° | 59.8° |
O53 | C53 | C63 | H632 | 52.5° | 52.5° |
O53 | C53 | C63 | H631 | 172.8° | 172.7° |
C23 | C33 | C43 | C53 | 53.8° | 53.8° |
C23 | C33 | C43 | O33 | 119.4° | 119.4° |
C23 | C33 | C43 | H33 | 118.8° | 118.8° |
C23 | C33 | O33 | H33 | 119.1° | 119.1° |
C23 | C33 | C43 | O43 | 175.4° | 175.4° |
C33 | C23 | C13 | H13 | 171.1° | 171.1° |
C33 | C23 | O23 | HO23 | 52.2° | 52.2° |
C23 | C33 | O33 | HO33 | 180.0° | 180.0° |
C23 | C33 | C43 | H43 | 65.5° | 65.5° |
C63 | C53 | C43 | H53 | 121.5° | 121.5° |
C63 | C53 | C43 | C33 | 177.6° | 177.6° |
C63 | C53 | C43 | O43 | 63.0° | 63.0° |
C63 | C53 | C43 | H43 | 58.4° | 58.4° |
C53 | C63 | H632 | H631 | 120.4° | 120.3° |
C53 | C63 | O63 | HO63 | 180.0° | 180.0° |
C53 | C43 | C33 | O43 | 121.6° | 121.6° |
C53 | C43 | C33 | H43 | 119.3° | 119.3° |
C53 | C43 | C33 | O33 | 173.3° | 173.3° |
C53 | C43 | O43 | H43 | 120.7° | 120.7° |
C53 | C43 | O43 | C14 | 118.3° | 118.3° |
C53 | C43 | C33 | H33 | 65.0° | 65.0° |
C43 | C53 | C63 | H632 | 66.3° | 66.3° |
C43 | C53 | C63 | H631 | 53.9° | 53.9° |
O35 | C35 | C45 | C25 | 125.3° | 125.3° |
O35 | C35 | C45 | H35 | 117.7° | 117.7° |
O35 | C35 | C45 | C55 | 175.0° | 175.0° |
O35 | C35 | C25 | H35 | 118.4° | 118.4° |
O35 | C35 | C25 | O25 | 62.6° | 62.6° |
O35 | C35 | C25 | C15 | 176.9° | 176.9° |
O35 | C35 | C25 | H25 | 58.4° | 58.4° |
O35 | C35 | C45 | H45 | 53.1° | 53.1° |
C43 | C33 | O33 | H33 | 120.8° | 120.8° |
C33 | C43 | O43 | H43 | 118.3° | 118.3° |
C33 | C43 | O43 | C14 | 120.8° | 120.8° |
C43 | C33 | C23 | H23 | 66.1° | 66.1° |
C43 | C33 | O33 | HO33 | 60.0° | 60.0° |
C33 | C43 | C53 | H53 | 60.9° | 60.9° |
O33 | C33 | C43 | O43 | 65.1° | 65.1° |
O33 | C33 | C23 | H23 | 55.2° | 55.2° |
O33 | C33 | C43 | H43 | 54.0° | 54.0° |
C35 | C45 | C55 | H45 | 122.0° | 122.0° |
C45 | C35 | C25 | H35 | 117.1° | 117.0° |
C35 | C45 | C55 | C65 | 169.8° | 169.8° |
C35 | C45 | C55 | O55 | 52.1° | 52.1° |
C45 | C35 | C25 | O25 | 172.9° | 172.9° |
C45 | C35 | C25 | C15 | 52.3° | 52.3° |
C45 | C35 | C25 | H25 | 66.2° | 66.2° |
C45 | C35 | O35 | HO35 | 180.0° | 180.0° |
C35 | C45 | C55 | H55 | 70.2° | 70.2° |
C55 | C45 | C35 | C25 | 49.8° | 49.8° |
C45 | C55 | C65 | O55 | 121.2° | 121.2° |
C45 | C55 | C65 | H55 | 120.2° | 120.2° |
C45 | C55 | O55 | H55 | 121.5° | 121.5° |
C45 | C55 | C65 | O65 | 166.7° | 166.7° |
C45 | C55 | O55 | C15 | 59.2° | 59.2° |
C55 | C45 | C35 | H35 | 67.3° | 67.2° |
C45 | C55 | C65 | H651 | 46.2° | 46.2° |
C45 | C55 | C65 | H652 | 72.9° | 72.9° |
C35 | C25 | C15 | O44 | 64.4° | 64.4° |
C35 | C25 | O25 | C15 | 122.3° | 122.3° |
C35 | C25 | O25 | H25 | 120.2° | 120.2° |
C35 | C25 | C15 | H25 | 118.6° | 118.6° |
C35 | C25 | C15 | O55 | 56.2° | 56.2° |
C35 | C25 | C15 | H15 | 175.7° | 175.6° |
C35 | C25 | O25 | HO25 | 180.0° | 180.0° |
C25 | C35 | O35 | HO35 | 55.2° | 55.2° |
C25 | C35 | C45 | H45 | 72.2° | 72.2° |
C43 | O43 | C14 | O54 | 105.2° | 105.2° |
C43 | O43 | C14 | C24 | 132.5° | 132.5° |
O43 | C43 | C33 | H33 | 56.6° | 56.6° |
O43 | C43 | C53 | H53 | 58.6° | 58.6° |
C43 | O43 | C14 | H14 | 14.7° | 14.7° |
O43 | C14 | O54 | C54 | 63.3° | 63.3° |
O43 | C14 | C24 | C34 | 70.9° | 70.9° |
O43 | C14 | O54 | C24 | 121.7° | 121.7° |
O43 | C14 | O54 | H14 | 120.2° | 120.2° |
O43 | C14 | C24 | H14 | 118.8° | 118.8° |
O43 | C14 | C24 | O24 | 51.8° | 51.8° |
C14 | O43 | C43 | H43 | 2.5° | 2.5° |
O43 | C14 | C24 | H24 | 170.5° | 170.5° |
C65 | C55 | O55 | H55 | 117.5° | 117.5° |
C55 | C65 | O65 | H651 | 120.5° | 120.5° |
C55 | C65 | O65 | H652 | 120.5° | 120.5° |
C65 | C55 | O55 | C15 | 179.8° | 179.8° |
C65 | C55 | C45 | H45 | 47.8° | 47.8° |
C55 | C65 | H651 | H652 | 118.6° | 118.6° |
C55 | C65 | O65 | HO65 | 180.0° | 180.0° |
O55 | C55 | C65 | O65 | 72.1° | 72.1° |
C55 | O55 | C15 | O44 | 59.1° | 59.1° |
C55 | O55 | C15 | C25 | 60.5° | 60.5° |
C55 | O55 | C15 | H15 | 179.1° | 179.1° |
O55 | C55 | C45 | H45 | 69.9° | 69.9° |
O55 | C55 | C65 | H651 | 167.4° | 167.4° |
O55 | C55 | C65 | H652 | 48.4° | 48.4° |
O65 | C65 | C55 | H55 | 46.4° | 46.4° |
O65 | C65 | H651 | H652 | 118.6° | 118.6° |
O64 | C64 | C54 | H642 | 120.5° | 120.5° |
O64 | C64 | C54 | H641 | 120.6° | 120.5° |
O64 | C64 | C54 | C44 | 173.6° | 173.6° |
O64 | C64 | C54 | O54 | 67.2° | 67.2° |
O64 | C64 | C54 | H54 | 52.0° | 52.0° |
O64 | C64 | H642 | H641 | 118.4° | 118.4° |
O44 | C15 | C25 | O25 | 58.6° | 58.6° |
O44 | C15 | C25 | O55 | 120.6° | 120.6° |
O44 | C15 | C25 | H15 | 119.9° | 119.9° |
C15 | O44 | C44 | C54 | 131.5° | 131.5° |
C15 | O44 | C44 | C34 | 106.9° | 106.9° |
O44 | C15 | O55 | H15 | 121.8° | 121.8° |
C15 | O44 | C44 | H44 | 12.1° | 12.1° |
O44 | C15 | C25 | H25 | 177.0° | 177.0° |
C44 | O44 | C15 | C25 | 134.2° | 134.2° |
O44 | C44 | C54 | C64 | 70.4° | 70.4° |
O44 | C44 | C54 | C34 | 118.7° | 118.7° |
O44 | C44 | C54 | H44 | 119.8° | 119.8° |
O44 | C44 | C54 | O54 | 172.9° | 172.9° |
O44 | C44 | C34 | H44 | 119.3° | 119.3° |
O44 | C44 | C34 | C24 | 170.3° | 170.3° |
O44 | C44 | C34 | O34 | 69.0° | 69.0° |
C44 | O44 | C15 | O55 | 106.1° | 106.1° |
O44 | C44 | C34 | H34 | 51.1° | 51.1° |
O44 | C44 | C54 | H54 | 51.1° | 51.1° |
C44 | O44 | C15 | H15 | 15.4° | 15.4° |
O25 | C25 | C15 | H25 | 118.4° | 118.3° |
O25 | C25 | C15 | O55 | 179.2° | 179.2° |
O25 | C25 | C15 | H15 | 61.3° | 61.3° |
O25 | C25 | C35 | H35 | 55.8° | 55.9° |
C25 | C15 | O55 | H15 | 118.6° | 118.6° |
C15 | C25 | O25 | HO25 | 57.6° | 57.6° |
C15 | C25 | C35 | H35 | 64.8° | 64.7° |
C64 | C54 | C44 | O54 | 116.8° | 116.8° |
C64 | C54 | C44 | H54 | 121.5° | 121.5° |
C64 | C54 | O54 | H54 | 118.3° | 118.3° |
C64 | C54 | C44 | C34 | 171.0° | 171.0° |
C64 | C54 | O54 | C14 | 179.7° | 179.7° |
C64 | C54 | C44 | H44 | 49.4° | 49.4° |
C54 | C64 | H642 | H641 | 118.4° | 118.4° |
C54 | C64 | O64 | HO64 | 180.0° | 180.0° |
C44 | C54 | O54 | H54 | 121.1° | 121.1° |
C54 | C44 | C34 | H44 | 121.5° | 121.5° |
C54 | C44 | C34 | C24 | 51.0° | 51.0° |
C54 | C44 | C34 | O34 | 171.8° | 171.8° |
C44 | C54 | O54 | C14 | 59.1° | 59.1° |
C54 | C44 | C34 | H34 | 68.1° | 68.1° |
C44 | C54 | C64 | H642 | 65.9° | 65.9° |
C44 | C54 | C64 | H641 | 53.1° | 53.1° |
O54 | C54 | C44 | C34 | 54.2° | 54.2° |
C54 | O54 | C14 | C24 | 58.4° | 58.4° |
C54 | O54 | C14 | H14 | 176.4° | 176.4° |
O54 | C54 | C44 | H44 | 67.3° | 67.3° |
O54 | C54 | C64 | H642 | 53.3° | 53.3° |
O54 | C54 | C64 | H641 | 172.2° | 172.3° |
C44 | C34 | C24 | O34 | 122.5° | 122.5° |
C44 | C34 | C24 | H34 | 119.3° | 119.3° |
C44 | C34 | O34 | H34 | 119.5° | 119.5° |
C44 | C34 | C24 | C14 | 49.4° | 49.4° |
C44 | C34 | C24 | O24 | 170.1° | 170.1° |
C44 | C34 | C24 | H24 | 69.2° | 69.2° |
C44 | C34 | O34 | HO34 | 180.0° | 180.0° |
C34 | C44 | C54 | H54 | 67.6° | 67.6° |
C24 | C34 | O34 | H34 | 117.5° | 117.5° |
C34 | C24 | C14 | O54 | 51.6° | 51.6° |
C34 | C24 | C14 | O24 | 122.7° | 122.7° |
C34 | C24 | C14 | H24 | 118.6° | 118.7° |
C34 | C24 | O24 | H24 | 119.8° | 119.8° |
C34 | C24 | C14 | H14 | 170.3° | 170.3° |
C34 | C24 | O24 | HO24 | 180.0° | 180.0° |
C24 | C34 | O34 | HO34 | 57.0° | 57.0° |
C24 | C34 | C44 | H44 | 70.4° | 70.4° |
O34 | C34 | C24 | C14 | 171.9° | 171.9° |
O34 | C34 | C24 | O24 | 67.5° | 67.5° |
O34 | C34 | C24 | H24 | 53.2° | 53.2° |
O34 | C34 | C44 | H44 | 50.3° | 50.3° |
O54 | C14 | C24 | H14 | 118.7° | 118.7° |
O54 | C14 | C24 | O24 | 174.3° | 174.3° |
O54 | C14 | C24 | H24 | 67.0° | 67.0° |
C14 | O54 | C54 | H54 | 62.0° | 62.0° |
C14 | C24 | O24 | H24 | 117.7° | 117.7° |
C14 | C24 | O24 | HO24 | 57.5° | 57.5° |
C14 | C24 | C34 | H34 | 69.9° | 69.9° |
O55 | C15 | C25 | H25 | 62.4° | 62.4° |
C15 | O55 | C55 | H55 | 62.4° | 62.4° |
O24 | C24 | C14 | H14 | 67.0° | 67.0° |
O24 | C24 | C34 | H34 | 50.8° | 50.8° |
H11 | C11 | C21 | H21 | 54.1° | 54.2° |
H21 | C21 | O21 | HO21 | 59.9° | 60.0° |
H21 | C21 | C31 | H31 | 174.6° | 174.6° |
H31 | C31 | O31 | HO31 | 61.0° | 60.9° |
H31 | C31 | C41 | H41 | 175.6° | 175.6° |
H41 | C41 | C51 | H51 | 175.4° | 175.4° |
H51 | C51 | C61 | H611 | 57.2° | 57.2° |
H51 | C51 | C61 | H612 | 62.5° | 62.5° |
H611 | C61 | O61 | HO61 | 59.9° | 59.9° |
H612 | C61 | O61 | HO61 | 59.8° | 59.8° |
H12 | C12 | C22 | H22 | 56.3° | 56.3° |
H22 | C22 | O22 | HO22 | 61.2° | 61.2° |
H22 | C22 | C32 | H32 | 172.2° | 172.2° |
H32 | C32 | O32 | HO32 | 62.3° | 62.3° |
H32 | C32 | C42 | H42 | 166.9° | 166.9° |
H42 | C42 | C52 | H52 | 166.2° | 166.2° |
H52 | C52 | C62 | H621 | 44.8° | 44.8° |
H52 | C52 | C62 | H622 | 164.2° | 164.3° |
H621 | C62 | O62 | HO62 | 59.7° | 59.7° |
H622 | C62 | O62 | HO62 | 59.7° | 59.7° |
H13 | C13 | C23 | H23 | 55.6° | 55.6° |
H23 | C23 | O23 | HO23 | 63.8° | 63.8° |
H23 | C23 | C33 | H33 | 175.2° | 175.2° |
H33 | C33 | O33 | HO33 | 60.9° | 60.9° |
H33 | C33 | C43 | H43 | 175.7° | 175.7° |
H43 | C43 | C53 | H53 | 179.9° | 179.9° |
H53 | C53 | C63 | H632 | 172.0° | 172.0° |
H53 | C53 | C63 | H631 | 67.8° | 67.8° |
H632 | C63 | O63 | HO63 | 60.1° | 60.1° |
H631 | C63 | O63 | HO63 | 60.1° | 60.1° |
H14 | C14 | C24 | H24 | 51.7° | 51.7° |
H24 | C24 | O24 | HO24 | 60.2° | 60.2° |
H24 | C24 | C34 | H34 | 171.5° | 171.4° |
H34 | C34 | O34 | HO34 | 60.5° | 60.5° |
H34 | C34 | C44 | H44 | 170.5° | 170.4° |
H44 | C44 | C54 | H54 | 170.9° | 170.9° |
H54 | C54 | C64 | H642 | 172.5° | 172.5° |
H54 | C54 | C64 | H641 | 68.6° | 68.5° |
H642 | C64 | O64 | HO64 | 59.5° | 59.5° |
H641 | C64 | O64 | HO64 | 59.5° | 59.5° |
H15 | C15 | C25 | H25 | 57.1° | 57.0° |
H25 | C25 | O25 | HO25 | 59.8° | 59.8° |
H25 | C25 | C35 | H35 | 176.8° | 176.8° |
H35 | C35 | O35 | HO35 | 62.7° | 62.7° |
H35 | C35 | C45 | H45 | 170.8° | 170.8° |
H45 | C45 | C55 | H55 | 167.8° | 167.8° |
H55 | C55 | C65 | H651 | 74.0° | 74.0° |
H55 | C55 | C65 | H652 | 166.9° | 166.9° |
H651 | C65 | O65 | HO65 | 59.5° | 59.5° |
H652 | C65 | O65 | HO65 | 59.5° | 59.5° |
H16 | C16 | C26 | H26 | 58.3° | 58.3° |
H26 | C26 | O26 | HO26 | 62.7° | 62.7° |
H26 | C26 | C36 | H36 | 174.9° | 174.9° |
H36 | C36 | O36 | HO36 | 59.5° | 59.5° |
H36 | C36 | C46 | H46 | 172.8° | 172.7° |
H46 | C46 | C56 | H56 | 176.7° | 176.7° |
H56 | C56 | C66 | H662 | 62.2° | 62.2° |
H56 | C56 | C66 | H661 | 57.1° | 57.1° |
H662 | C66 | O66 | HO66 | 59.7° | 59.7° |
H661 | C66 | O66 | HO66 | 59.7° | 59.7° |
H17 | C17 | C27 | H27 | 61.1° | 61.1° |
H27 | C27 | O27 | HO27 | 61.2° | 61.2° |
H27 | C27 | C37 | H37 | 176.0° | 176.0° |
H37 | C37 | O37 | HO37 | 61.8° | 61.8° |
H37 | C37 | C47 | H47 | 175.6° | 175.6° |
H47 | C47 | C57 | H57 | 176.6° | 176.6° |
H57 | C57 | C67 | H671 | 57.7° | 57.6° |
H57 | C57 | C67 | H672 | 62.3° | 62.4° |
H671 | C67 | O67 | HO67 | 60.0° | 60.0° |
H672 | C67 | O67 | HO67 | 60.0° | 60.0° |