4RF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C57 | C56 | sing | 1.53Å | 1.48Å | |
C55 | C56 | sing | 1.53Å | 1.50Å | |
C55 | C54 | sing | 1.53Å | 1.50Å | |
C53 | C54 | sing | 1.53Å | 1.52Å | |
C53 | C52 | sing | 1.53Å | 1.53Å | |
C52 | C51 | sing | 1.53Å | 1.54Å | |
C51 | C50 | sing | 1.53Å | 1.53Å | |
C49 | C48 | sing | 1.53Å | 1.54Å | |
C49 | C50 | sing | 1.53Å | 1.55Å | |
C35 | C36 | sing | 1.53Å | 1.52Å | |
C35 | C34 | sing | 1.53Å | 1.51Å | |
C48 | C47 | sing | 1.53Å | 1.53Å | |
C33 | C34 | sing | 1.53Å | 1.53Å | |
C33 | C32 | sing | 1.53Å | 1.52Å | |
C37 | C36 | sing | 1.53Å | 1.53Å | |
C37 | C38 | sing | 1.53Å | 1.52Å | |
C46 | C47 | sing | 1.53Å | 1.54Å | |
C46 | C45 | sing | 1.53Å | 1.53Å | |
C32 | C31 | sing | 1.53Å | 1.51Å | |
C45 | C44 | sing | 1.53Å | 1.53Å | |
C31 | C30 | sing | 1.53Å | 1.54Å | |
C44 | C43 | sing | 1.53Å | 1.52Å | |
C43 | C41 | sing | 1.51Å | 1.55Å | |
C30 | C29 | sing | 1.53Å | 1.53Å | |
C29 | C28 | sing | 1.53Å | 1.54Å | |
C14 | C13 | sing | 1.53Å | 1.56Å | |
C14 | C15 | sing | 1.53Å | 1.58Å | |
C13 | C12 | sing | 1.53Å | 1.56Å | |
C41 | O40 | sing | 1.34Å | 1.43Å | |
C41 | O42 | doub | 1.21Å | 1.23Å | |
C15 | C16 | sing | 1.51Å | 1.58Å | |
O40 | C39 | sing | 1.45Å | 1.44Å | |
C28 | C27 | sing | 1.53Å | 1.53Å | |
C12 | C11 | sing | 1.53Å | 1.56Å | |
C27 | C26 | sing | 1.53Å | 1.54Å | |
C16 | O18 | sing | 1.34Å | 1.45Å | |
C16 | O17 | doub | 1.21Å | 1.22Å | |
O18 | C19 | sing | 1.45Å | 1.45Å | |
C39 | C20 | sing | 1.53Å | 1.52Å | |
C11 | C10 | sing | 1.53Å | 1.56Å | |
C26 | C25 | sing | 1.53Å | 1.56Å | |
C25 | C24 | sing | 1.53Å | 1.55Å | |
C20 | C19 | sing | 1.53Å | 1.52Å | |
C20 | O21 | sing | 1.45Å | 1.44Å | |
C01 | C02 | sing | 1.53Å | 1.55Å | |
C10 | C09 | sing | 1.53Å | 1.57Å | |
O23 | C22 | doub | 1.21Å | 1.22Å | |
C22 | C24 | sing | 1.51Å | 1.54Å | |
C22 | O21 | sing | 1.34Å | 1.45Å | |
C09 | C08 | sing | 1.53Å | 1.57Å | |
C03 | C02 | sing | 1.53Å | 1.56Å | |
C03 | C04 | sing | 1.53Å | 1.55Å | |
C06 | C07 | sing | 1.53Å | 1.57Å | |
C06 | C05 | sing | 1.53Å | 1.56Å | |
C04 | C05 | sing | 1.53Å | 1.55Å | |
C08 | C07 | sing | 1.53Å | 1.58Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C20 | H7 | sing | 1.09Å | 1.10Å | |
C24 | H8 | sing | 1.09Å | 1.10Å | |
C24 | H9 | sing | 1.09Å | 1.10Å | |
C26 | H10 | sing | 1.09Å | 1.10Å | |
C26 | H11 | sing | 1.09Å | 1.10Å | |
C28 | H12 | sing | 1.09Å | 1.10Å | |
C28 | H13 | sing | 1.09Å | 1.10Å | |
C01 | H14 | sing | 1.09Å | 1.10Å | |
C01 | H15 | sing | 1.09Å | 1.10Å | |
C01 | H16 | sing | 1.09Å | 1.10Å | |
C02 | H17 | sing | 1.09Å | 1.10Å | |
C02 | H18 | sing | 1.09Å | 1.10Å | |
C03 | H19 | sing | 1.09Å | 1.10Å | |
C03 | H20 | sing | 1.09Å | 1.10Å | |
C04 | H21 | sing | 1.09Å | 1.10Å | |
C04 | H22 | sing | 1.09Å | 1.10Å | |
C05 | H23 | sing | 1.09Å | 1.10Å | |
C05 | H24 | sing | 1.09Å | 1.10Å | |
C06 | H25 | sing | 1.09Å | 1.10Å | |
C06 | H26 | sing | 1.09Å | 1.10Å | |
C07 | H27 | sing | 1.09Å | 1.10Å | |
C07 | H28 | sing | 1.09Å | 1.10Å | |
C08 | H29 | sing | 1.09Å | 1.10Å | |
C08 | H30 | sing | 1.09Å | 1.10Å | |
C09 | H31 | sing | 1.09Å | 1.10Å | |
C09 | H32 | sing | 1.09Å | 1.10Å | |
C11 | H33 | sing | 1.09Å | 1.10Å | |
C11 | H34 | sing | 1.09Å | 1.10Å | |
C12 | H35 | sing | 1.09Å | 1.10Å | |
C12 | H36 | sing | 1.09Å | 1.10Å | |
C14 | H37 | sing | 1.09Å | 1.10Å | |
C14 | H38 | sing | 1.09Å | 1.10Å | |
C19 | H39 | sing | 1.09Å | 1.10Å | |
C19 | H40 | sing | 1.09Å | 1.10Å | |
C25 | H41 | sing | 1.09Å | 1.10Å | |
C25 | H42 | sing | 1.09Å | 1.10Å | |
C27 | H43 | sing | 1.09Å | 1.10Å | |
C27 | H44 | sing | 1.09Å | 1.10Å | |
C29 | H45 | sing | 1.09Å | 1.10Å | |
C29 | H46 | sing | 1.09Å | 1.10Å | |
C30 | H47 | sing | 1.09Å | 1.10Å | |
C30 | H48 | sing | 1.09Å | 1.10Å | |
C31 | H49 | sing | 1.09Å | 1.10Å | |
C31 | H50 | sing | 1.09Å | 1.10Å | |
C32 | H51 | sing | 1.09Å | 1.10Å | |
C32 | H52 | sing | 1.09Å | 1.10Å | |
C33 | H53 | sing | 1.09Å | 1.10Å | |
C33 | H54 | sing | 1.09Å | 1.10Å | |
C34 | H55 | sing | 1.09Å | 1.10Å | |
C34 | H56 | sing | 1.09Å | 1.10Å | |
C35 | H57 | sing | 1.09Å | 1.10Å | |
C35 | H58 | sing | 1.09Å | 1.10Å | |
C36 | H59 | sing | 1.09Å | 1.10Å | |
C36 | H60 | sing | 1.09Å | 1.10Å | |
C37 | H61 | sing | 1.09Å | 1.10Å | |
C37 | H62 | sing | 1.09Å | 1.10Å | |
C38 | H63 | sing | 1.09Å | 1.10Å | |
C38 | H64 | sing | 1.09Å | 1.10Å | |
C38 | H65 | sing | 1.09Å | 1.10Å | |
C39 | H66 | sing | 1.09Å | 1.10Å | |
C39 | H67 | sing | 1.09Å | 1.10Å | |
C43 | H68 | sing | 1.09Å | 1.10Å | |
C43 | H69 | sing | 1.09Å | 1.10Å | |
C44 | H70 | sing | 1.09Å | 1.10Å | |
C44 | H71 | sing | 1.09Å | 1.10Å | |
C45 | H72 | sing | 1.09Å | 1.10Å | |
C45 | H73 | sing | 1.09Å | 1.10Å | |
C46 | H74 | sing | 1.09Å | 1.10Å | |
C46 | H75 | sing | 1.09Å | 1.10Å | |
C47 | H76 | sing | 1.09Å | 1.10Å | |
C47 | H77 | sing | 1.09Å | 1.10Å | |
C48 | H78 | sing | 1.09Å | 1.10Å | |
C48 | H79 | sing | 1.09Å | 1.10Å | |
C49 | H80 | sing | 1.09Å | 1.10Å | |
C49 | H81 | sing | 1.09Å | 1.10Å | |
C50 | H82 | sing | 1.09Å | 1.10Å | |
C50 | H83 | sing | 1.09Å | 1.10Å | |
C51 | H84 | sing | 1.09Å | 1.10Å | |
C51 | H85 | sing | 1.09Å | 1.10Å | |
C52 | H86 | sing | 1.09Å | 1.10Å | |
C52 | H87 | sing | 1.09Å | 1.10Å | |
C53 | H88 | sing | 1.09Å | 1.10Å | |
C53 | H89 | sing | 1.09Å | 1.10Å | |
C54 | H90 | sing | 1.09Å | 1.10Å | |
C54 | H91 | sing | 1.09Å | 1.10Å | |
C55 | H92 | sing | 1.09Å | 1.10Å | |
C55 | H93 | sing | 1.09Å | 1.10Å | |
C56 | H94 | sing | 1.09Å | 1.10Å | |
C56 | H95 | sing | 1.09Å | 1.10Å | |
C57 | H96 | sing | 1.09Å | 1.10Å | |
C57 | H97 | sing | 1.09Å | 1.10Å | |
C57 | H98 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C57 | C56 | C55 | 110.4° | 109.5° |
C57 | C56 | H94 | 109.2° | 109.4° |
C57 | C56 | H95 | 109.2° | 109.4° |
C56 | C57 | H96 | 109.5° | 109.5° |
C56 | C57 | H97 | 109.5° | 109.5° |
C56 | C57 | H98 | 109.5° | 109.4° |
C56 | C55 | C54 | 108.5° | 109.4° |
C56 | C55 | H92 | 109.7° | 109.5° |
C56 | C55 | H93 | 109.7° | 109.4° |
C55 | C56 | H94 | 109.3° | 109.5° |
C55 | C56 | H95 | 109.2° | 109.5° |
C55 | C54 | C53 | 108.7° | 109.4° |
C55 | C54 | H90 | 109.7° | 109.5° |
C55 | C54 | H91 | 109.6° | 109.5° |
C54 | C55 | H92 | 109.7° | 109.5° |
C54 | C55 | H93 | 109.7° | 109.5° |
C54 | C53 | C52 | 114.5° | 109.5° |
C54 | C53 | H88 | 108.2° | 109.5° |
C54 | C53 | H89 | 108.2° | 109.5° |
C53 | C54 | H90 | 109.7° | 109.5° |
C53 | C54 | H91 | 109.7° | 109.4° |
C53 | C52 | C51 | 112.9° | 109.5° |
C53 | C52 | H86 | 108.6° | 109.5° |
C53 | C52 | H87 | 108.6° | 109.4° |
C52 | C53 | H88 | 108.2° | 109.5° |
C52 | C53 | H89 | 108.2° | 109.4° |
C52 | C51 | C50 | 109.9° | 109.4° |
C52 | C51 | H84 | 109.4° | 109.5° |
C52 | C51 | H85 | 109.4° | 109.4° |
C51 | C52 | H86 | 108.6° | 109.5° |
C51 | C52 | H87 | 108.6° | 109.5° |
C51 | C50 | C49 | 110.2° | 109.4° |
C51 | C50 | H82 | 109.3° | 109.5° |
C51 | C50 | H83 | 109.3° | 109.5° |
C50 | C51 | H84 | 109.4° | 109.5° |
C50 | C51 | H85 | 109.4° | 109.5° |
C48 | C49 | C50 | 109.2° | 109.4° |
C49 | C48 | C47 | 114.7° | 109.5° |
C49 | C48 | H78 | 108.1° | 109.4° |
C49 | C48 | H79 | 108.1° | 109.5° |
C48 | C49 | H80 | 109.6° | 109.4° |
C48 | C49 | H81 | 109.5° | 109.5° |
C50 | C49 | H80 | 109.5° | 109.5° |
C50 | C49 | H81 | 109.6° | 109.5° |
C49 | C50 | H82 | 109.3° | 109.5° |
C49 | C50 | H83 | 109.3° | 109.5° |
C36 | C35 | C34 | 111.1° | 109.5° |
C35 | C36 | C37 | 107.5° | 109.5° |
C36 | C35 | H57 | 109.1° | 109.5° |
C36 | C35 | H58 | 109.1° | 109.5° |
C35 | C36 | H59 | 110.0° | 109.4° |
C35 | C36 | H60 | 109.9° | 109.5° |
C35 | C34 | C33 | 111.9° | 109.5° |
C35 | C34 | H55 | 108.9° | 109.5° |
C35 | C34 | H56 | 108.9° | 109.5° |
C34 | C35 | H57 | 109.1° | 109.5° |
C34 | C35 | H58 | 109.1° | 109.5° |
C48 | C47 | C46 | 107.6° | 109.5° |
C48 | C47 | H76 | 109.9° | 109.5° |
C48 | C47 | H77 | 109.9° | 109.5° |
C47 | C48 | H78 | 108.2° | 109.5° |
C47 | C48 | H79 | 108.1° | 109.5° |
C34 | C33 | C32 | 113.1° | 109.5° |
C34 | C33 | H53 | 108.6° | 109.4° |
C34 | C33 | H54 | 108.6° | 109.4° |
C33 | C34 | H55 | 108.9° | 109.4° |
C33 | C34 | H56 | 108.8° | 109.5° |
C33 | C32 | C31 | 112.5° | 109.4° |
C33 | C32 | H51 | 108.7° | 109.5° |
C33 | C32 | H52 | 108.7° | 109.5° |
C32 | C33 | H53 | 108.6° | 109.5° |
C32 | C33 | H54 | 108.6° | 109.5° |
C36 | C37 | C38 | 113.0° | 109.5° |
C37 | C36 | H59 | 110.0° | 109.5° |
C37 | C36 | H60 | 110.0° | 109.5° |
C36 | C37 | H61 | 108.6° | 109.5° |
C36 | C37 | H62 | 108.6° | 109.5° |
C38 | C37 | H61 | 108.6° | 109.5° |
C38 | C37 | H62 | 108.6° | 109.5° |
C37 | C38 | H63 | 109.5° | 109.5° |
C37 | C38 | H64 | 109.5° | 109.5° |
C37 | C38 | H65 | 109.5° | 109.5° |
C47 | C46 | C45 | 110.0° | 109.5° |
C47 | C46 | H74 | 109.3° | 109.5° |
C47 | C46 | H75 | 109.3° | 109.5° |
C46 | C47 | H76 | 109.9° | 109.5° |
C46 | C47 | H77 | 109.9° | 109.5° |
C46 | C45 | C44 | 109.5° | 109.4° |
C46 | C45 | H72 | 109.5° | 109.4° |
C46 | C45 | H73 | 109.5° | 109.5° |
C45 | C46 | H74 | 109.3° | 109.4° |
C45 | C46 | H75 | 109.3° | 109.5° |
C32 | C31 | C30 | 107.9° | 109.5° |
C32 | C31 | H49 | 109.8° | 109.4° |
C32 | C31 | H50 | 109.9° | 109.4° |
C31 | C32 | H51 | 108.7° | 109.4° |
C31 | C32 | H52 | 108.7° | 109.4° |
C45 | C44 | C43 | 105.3° | 109.4° |
C45 | C44 | H70 | 110.5° | 109.5° |
C45 | C44 | H71 | 110.5° | 109.5° |
C44 | C45 | H72 | 109.5° | 109.5° |
C44 | C45 | H73 | 109.5° | 109.5° |
C31 | C30 | C29 | 113.4° | 109.4° |
C31 | C30 | H47 | 108.5° | 109.5° |
C31 | C30 | H48 | 108.5° | 109.4° |
C30 | C31 | H49 | 109.9° | 109.5° |
C30 | C31 | H50 | 109.9° | 109.5° |
C44 | C43 | C41 | 110.3° | 109.4° |
C44 | C43 | H68 | 109.2° | 109.5° |
C44 | C43 | H69 | 109.3° | 109.5° |
C43 | C44 | H70 | 110.5° | 109.5° |
C43 | C44 | H71 | 110.5° | 109.5° |
C43 | C41 | O40 | 117.0° | 119.9° |
C43 | C41 | O42 | 118.3° | 120.0° |
C41 | C43 | H68 | 109.3° | 109.5° |
C41 | C43 | H69 | 109.3° | 109.5° |
C30 | C29 | C28 | 110.7° | 109.4° |
C30 | C29 | H45 | 109.1° | 109.5° |
C30 | C29 | H46 | 109.1° | 109.4° |
C29 | C30 | H47 | 108.5° | 109.5° |
C29 | C30 | H48 | 108.5° | 109.5° |
C29 | C28 | C27 | 107.2° | 109.4° |
C29 | C28 | H12 | 110.0° | 109.4° |
C29 | C28 | H13 | 110.1° | 109.5° |
C28 | C29 | H45 | 109.2° | 109.5° |
C28 | C29 | H46 | 109.2° | 109.5° |
C13 | C14 | C15 | 113.2° | 109.5° |
C14 | C13 | C12 | 113.5° | 109.5° |
C14 | C13 | H3 | 108.5° | 109.5° |
C14 | C13 | H4 | 108.5° | 109.5° |
C13 | C14 | H37 | 108.6° | 109.5° |
C13 | C14 | H38 | 108.5° | 109.5° |
C14 | C15 | C16 | 117.2° | 109.5° |
C14 | C15 | H5 | 107.5° | 109.5° |
C14 | C15 | H6 | 107.5° | 109.5° |
C15 | C14 | H37 | 108.5° | 109.5° |
C15 | C14 | H38 | 108.5° | 109.5° |
C13 | C12 | C11 | 112.4° | 109.5° |
C12 | C13 | H3 | 108.5° | 109.5° |
C12 | C13 | H4 | 108.5° | 109.5° |
C13 | C12 | H35 | 108.7° | 109.5° |
C13 | C12 | H36 | 108.7° | 109.5° |
O40 | C41 | O42 | 117.4° | 120.0° |
C41 | O40 | C39 | 111.2° | 117.0° |
C15 | C16 | O18 | 122.7° | 120.0° |
C15 | C16 | O17 | 118.6° | 120.0° |
C16 | C15 | H5 | 107.5° | 109.5° |
C16 | C15 | H6 | 107.5° | 109.5° |
O40 | C39 | C20 | 106.4° | 109.4° |
O40 | C39 | H66 | 110.2° | 109.5° |
O40 | C39 | H67 | 110.2° | 109.5° |
C28 | C27 | C26 | 112.9° | 109.4° |
C27 | C28 | H12 | 110.0° | 109.5° |
C27 | C28 | H13 | 110.0° | 109.5° |
C28 | C27 | H43 | 108.6° | 109.5° |
C28 | C27 | H44 | 108.6° | 109.5° |
C12 | C11 | C10 | 110.8° | 109.5° |
C12 | C11 | H33 | 109.1° | 109.4° |
C12 | C11 | H34 | 109.1° | 109.5° |
C11 | C12 | H35 | 108.7° | 109.5° |
C11 | C12 | H36 | 108.7° | 109.4° |
C27 | C26 | C25 | 107.0° | 109.5° |
C27 | C26 | H10 | 110.1° | 109.5° |
C27 | C26 | H11 | 110.1° | 109.5° |
C26 | C27 | H43 | 108.6° | 109.5° |
C26 | C27 | H44 | 108.6° | 109.4° |
O18 | C16 | O17 | 112.9° | 120.0° |
C16 | O18 | C19 | 114.4° | 117.0° |
O18 | C19 | C20 | 103.8° | 109.5° |
O18 | C19 | H39 | 110.9° | 109.5° |
O18 | C19 | H40 | 110.8° | 109.5° |
C39 | C20 | C19 | 104.2° | 109.5° |
C39 | C20 | O21 | 112.4° | 109.5° |
C39 | C20 | H7 | 108.2° | 109.5° |
C20 | C39 | H66 | 110.2° | 109.5° |
C20 | C39 | H67 | 110.2° | 109.5° |
C11 | C10 | C09 | 115.5° | 109.5° |
C11 | C10 | H1 | 108.0° | 109.5° |
C11 | C10 | H2 | 108.0° | 109.5° |
C10 | C11 | H33 | 109.2° | 109.5° |
C10 | C11 | H34 | 109.1° | 109.5° |
C26 | C25 | C24 | 114.9° | 109.5° |
C25 | C26 | H10 | 110.1° | 109.5° |
C25 | C26 | H11 | 110.1° | 109.5° |
C26 | C25 | H41 | 108.1° | 109.5° |
C26 | C25 | H42 | 108.1° | 109.5° |
C25 | C24 | C22 | 109.9° | 109.5° |
C25 | C24 | H8 | 109.4° | 109.5° |
C25 | C24 | H9 | 109.4° | 109.5° |
C24 | C25 | H41 | 108.1° | 109.5° |
C24 | C25 | H42 | 108.1° | 109.5° |
C19 | C20 | O21 | 114.4° | 109.5° |
C19 | C20 | H7 | 108.1° | 109.5° |
C20 | C19 | H39 | 110.9° | 109.5° |
C20 | C19 | H40 | 110.9° | 109.5° |
C20 | O21 | C22 | 115.8° | 117.0° |
O21 | C20 | H7 | 109.2° | 109.5° |
C01 | C02 | C03 | 109.0° | 109.5° |
C02 | C01 | H14 | 109.5° | 109.5° |
C02 | C01 | H15 | 109.5° | 109.4° |
C02 | C01 | H16 | 109.4° | 109.5° |
C01 | C02 | H17 | 109.6° | 109.5° |
C01 | C02 | H18 | 109.6° | 109.4° |
C10 | C09 | C08 | 109.8° | 109.5° |
C09 | C10 | H1 | 108.0° | 109.5° |
C09 | C10 | H2 | 108.0° | 109.5° |
C10 | C09 | H31 | 109.4° | 109.5° |
C10 | C09 | H32 | 109.4° | 109.5° |
O23 | C22 | C24 | 117.0° | 120.0° |
O23 | C22 | O21 | 119.4° | 120.0° |
C24 | C22 | O21 | 122.8° | 120.0° |
C22 | C24 | H8 | 109.4° | 109.5° |
C22 | C24 | H9 | 109.4° | 109.5° |
C09 | C08 | C07 | 114.5° | 109.5° |
C09 | C08 | H29 | 108.2° | 109.5° |
C09 | C08 | H30 | 108.2° | 109.5° |
C08 | C09 | H31 | 109.4° | 109.5° |
C08 | C09 | H32 | 109.4° | 109.5° |
C02 | C03 | C04 | 112.6° | 109.5° |
C03 | C02 | H17 | 109.6° | 109.5° |
C03 | C02 | H18 | 109.6° | 109.4° |
C02 | C03 | H19 | 108.7° | 109.5° |
C02 | C03 | H20 | 108.7° | 109.4° |
C03 | C04 | C05 | 113.4° | 109.4° |
C04 | C03 | H19 | 108.7° | 109.5° |
C04 | C03 | H20 | 108.7° | 109.5° |
C03 | C04 | H21 | 108.5° | 109.5° |
C03 | C04 | H22 | 108.5° | 109.4° |
C07 | C06 | C05 | 114.7° | 109.5° |
C06 | C07 | C08 | 114.9° | 109.5° |
C07 | C06 | H25 | 108.2° | 109.5° |
C07 | C06 | H26 | 108.2° | 109.5° |
C06 | C07 | H27 | 108.1° | 109.5° |
C06 | C07 | H28 | 108.1° | 109.5° |
C06 | C05 | C04 | 111.3° | 109.5° |
C06 | C05 | H23 | 109.0° | 109.5° |
C06 | C05 | H24 | 109.0° | 109.4° |
C05 | C06 | H25 | 108.2° | 109.5° |
C05 | C06 | H26 | 108.1° | 109.4° |
C05 | C04 | H21 | 108.5° | 109.5° |
C05 | C04 | H22 | 108.5° | 109.4° |
C04 | C05 | H23 | 109.0° | 109.5° |
C04 | C05 | H24 | 109.0° | 109.4° |
C08 | C07 | H27 | 108.1° | 109.4° |
C08 | C07 | H28 | 108.1° | 109.5° |
C07 | C08 | H29 | 108.2° | 109.4° |
C07 | C08 | H30 | 108.2° | 109.5° |
H1 | C10 | H2 | 109.5° | 109.4° |
H3 | C13 | H4 | 109.4° | 109.4° |
H5 | C15 | H6 | 109.5° | 109.5° |
H8 | C24 | H9 | 109.4° | 109.4° |
H10 | C26 | H11 | 109.5° | 109.4° |
H12 | C28 | H13 | 109.4° | 109.5° |
H14 | C01 | H15 | 109.4° | 109.5° |
H14 | C01 | H16 | 109.5° | 109.5° |
H15 | C01 | H16 | 109.5° | 109.5° |
H17 | C02 | H18 | 109.5° | 109.5° |
H19 | C03 | H20 | 109.4° | 109.5° |
H21 | C04 | H22 | 109.5° | 109.5° |
H23 | C05 | H24 | 109.5° | 109.5° |
H25 | C06 | H26 | 109.5° | 109.4° |
H27 | C07 | H28 | 109.5° | 109.5° |
H29 | C08 | H30 | 109.5° | 109.5° |
H31 | C09 | H32 | 109.5° | 109.4° |
H33 | C11 | H34 | 109.4° | 109.5° |
H35 | C12 | H36 | 109.5° | 109.5° |
H37 | C14 | H38 | 109.5° | 109.4° |
H39 | C19 | H40 | 109.4° | 109.4° |
H41 | C25 | H42 | 109.5° | 109.4° |
H43 | C27 | H44 | 109.5° | 109.5° |
H45 | C29 | H46 | 109.5° | 109.5° |
H47 | C30 | H48 | 109.5° | 109.5° |
H49 | C31 | H50 | 109.5° | 109.5° |
H51 | C32 | H52 | 109.5° | 109.5° |
H53 | C33 | H54 | 109.5° | 109.6° |
H55 | C34 | H56 | 109.5° | 109.4° |
H57 | C35 | H58 | 109.5° | 109.4° |
H59 | C36 | H60 | 109.4° | 109.5° |
H61 | C37 | H62 | 109.5° | 109.4° |
H63 | C38 | H64 | 109.5° | 109.4° |
H63 | C38 | H65 | 109.5° | 109.5° |
H64 | C38 | H65 | 109.4° | 109.5° |
H66 | C39 | H67 | 109.5° | 109.5° |
H68 | C43 | H69 | 109.5° | 109.5° |
H70 | C44 | H71 | 109.5° | 109.5° |
H72 | C45 | H73 | 109.5° | 109.5° |
H74 | C46 | H75 | 109.5° | 109.5° |
H76 | C47 | H77 | 109.5° | 109.4° |
H78 | C48 | H79 | 109.5° | 109.5° |
H80 | C49 | H81 | 109.5° | 109.5° |
H82 | C50 | H83 | 109.5° | 109.5° |
H84 | C51 | H85 | 109.5° | 109.4° |
H86 | C52 | H87 | 109.5° | 109.5° |
H88 | C53 | H89 | 109.5° | 109.4° |
H90 | C54 | H91 | 109.5° | 109.5° |
H92 | C55 | H93 | 109.4° | 109.5° |
H94 | C56 | H95 | 109.5° | 109.5° |
H96 | C57 | H97 | 109.4° | 109.5° |
H96 | C57 | H98 | 109.5° | 109.5° |
H97 | C57 | H98 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C57 | C56 | C55 | H94 | 120.1° | 120.0° |
C57 | C56 | C55 | H95 | 120.1° | 119.9° |
C57 | C56 | C55 | C54 | 163.5° | 180.0° |
C57 | C56 | C55 | H92 | 43.6° | 60.0° |
C57 | C56 | C55 | H93 | 76.6° | 60.0° |
C57 | C56 | H94 | H95 | 119.5° | 119.9° |
C56 | C57 | H96 | H97 | 120.0° | 120.0° |
C56 | C57 | H96 | H98 | 120.0° | 120.0° |
C56 | C57 | H97 | H98 | 120.0° | 120.0° |
C56 | C55 | C54 | H92 | 119.9° | 120.0° |
C56 | C55 | C54 | H93 | 119.9° | 120.0° |
C56 | C55 | C54 | C53 | 178.3° | NaN° |
C56 | C55 | C54 | H90 | 61.8° | 60.0° |
C56 | C55 | C54 | H91 | 58.4° | 60.1° |
C56 | C55 | H92 | H93 | 120.5° | 120.0° |
C55 | C56 | H94 | H95 | 119.6° | 120.1° |
C55 | C56 | C57 | H96 | 180.0° | 180.0° |
C55 | C56 | C57 | H97 | 60.0° | 60.0° |
C55 | C56 | C57 | H98 | 60.0° | 60.0° |
C55 | C54 | C53 | H90 | 119.9° | 120.0° |
C55 | C54 | C53 | H91 | 119.9° | 119.9° |
C55 | C54 | C53 | C52 | 167.7° | 180.0° |
C55 | C54 | C53 | H88 | 71.6° | 59.9° |
C55 | C54 | C53 | H89 | 46.9° | 60.1° |
C55 | C54 | H90 | H91 | 120.3° | 120.0° |
C54 | C55 | H92 | H93 | 120.4° | 120.0° |
C54 | C55 | C56 | H94 | 76.3° | 60.0° |
C54 | C55 | C56 | H95 | 43.4° | 60.1° |
C54 | C53 | C52 | H88 | 120.8° | 120.1° |
C54 | C53 | C52 | H89 | 120.7° | 120.0° |
C54 | C53 | C52 | C51 | 27.5° | NaN° |
C54 | C53 | C52 | H86 | 148.0° | 60.0° |
C54 | C53 | C52 | H87 | 93.1° | 60.0° |
C54 | C53 | H88 | H89 | 117.7° | 120.0° |
C53 | C54 | H90 | H91 | 120.4° | 120.0° |
C53 | C54 | C55 | H92 | 58.4° | 60.0° |
C53 | C54 | C55 | H93 | 61.8° | 60.0° |
C53 | C52 | C51 | H86 | 120.5° | 120.0° |
C53 | C52 | C51 | H87 | 120.5° | 119.9° |
C53 | C52 | C51 | C50 | 174.5° | 180.0° |
C53 | C52 | C51 | H84 | 54.4° | 59.9° |
C53 | C52 | C51 | H85 | 65.4° | 60.1° |
C53 | C52 | H86 | H87 | 118.4° | 119.9° |
C52 | C53 | H88 | H89 | 117.7° | 119.9° |
C52 | C53 | C54 | H90 | 47.8° | 60.0° |
C52 | C53 | C54 | H91 | 72.5° | 60.1° |
C52 | C51 | C50 | H84 | 120.1° | 120.1° |
C52 | C51 | C50 | H85 | 120.1° | 119.9° |
C52 | C51 | C50 | C49 | 79.6° | 179.9° |
C52 | C51 | C50 | H82 | 40.5° | 60.0° |
C52 | C51 | C50 | H83 | 160.3° | 60.1° |
C52 | C51 | H84 | H85 | 119.8° | 120.0° |
C51 | C52 | H86 | H87 | 118.4° | 120.0° |
C51 | C52 | C53 | H88 | 93.3° | 59.9° |
C51 | C52 | C53 | H89 | 148.2° | 60.0° |
C51 | C50 | C49 | C48 | 133.3° | 179.9° |
C51 | C50 | C49 | H82 | 120.1° | 120.0° |
C51 | C50 | C49 | H83 | 120.1° | 120.0° |
C51 | C50 | C49 | H80 | 106.8° | 60.0° |
C51 | C50 | C49 | H81 | 13.3° | 60.0° |
C51 | C50 | H82 | H83 | 119.7° | 120.0° |
C50 | C51 | H84 | H85 | 119.8° | 120.0° |
C50 | C51 | C52 | H86 | 65.0° | 60.0° |
C50 | C51 | C52 | H87 | 54.0° | 60.1° |
C48 | C49 | C50 | H80 | 120.0° | 119.9° |
C48 | C49 | C50 | H81 | 119.9° | 120.0° |
C49 | C48 | C47 | H78 | 120.8° | 120.0° |
C49 | C48 | C47 | H79 | 120.8° | 120.0° |
C49 | C48 | C47 | C46 | 136.4° | 180.0° |
C49 | C48 | C47 | H76 | 16.7° | 60.0° |
C49 | C48 | C47 | H77 | 103.8° | 59.9° |
C49 | C48 | H78 | H79 | 117.6° | 120.0° |
C48 | C49 | H80 | H81 | 120.1° | 120.0° |
C48 | C49 | C50 | H82 | 106.6° | 60.1° |
C48 | C49 | C50 | H83 | 13.1° | 60.0° |
C50 | C49 | C48 | C47 | 107.7° | 180.0° |
C50 | C49 | C48 | H78 | 13.1° | 60.0° |
C50 | C49 | C48 | H79 | 131.5° | 59.9° |
C50 | C49 | H80 | H81 | 120.1° | 120.1° |
C49 | C50 | H82 | H83 | 119.6° | 120.0° |
C49 | C50 | C51 | H84 | 160.3° | 60.0° |
C49 | C50 | C51 | H85 | 40.5° | 60.0° |
C36 | C35 | C34 | H57 | 120.2° | 120.0° |
C36 | C35 | C34 | H58 | 120.2° | 120.0° |
C36 | C35 | C34 | C33 | 80.9° | 180.0° |
C35 | C36 | C37 | H59 | 119.7° | 120.0° |
C35 | C36 | C37 | H60 | 119.7° | 120.0° |
C35 | C36 | C37 | C38 | 177.7° | 180.0° |
C36 | C35 | C34 | H55 | 39.5° | 60.0° |
C36 | C35 | C34 | H56 | 158.8° | 60.0° |
C36 | C35 | H57 | H58 | 119.3° | 120.0° |
C35 | C36 | H59 | H60 | 120.9° | 120.0° |
C35 | C36 | C37 | H61 | 61.8° | 60.0° |
C35 | C36 | C37 | H62 | 57.1° | 60.0° |
C35 | C34 | C33 | H55 | 120.4° | 120.0° |
C35 | C34 | C33 | H56 | 120.4° | 120.0° |
C35 | C34 | C33 | C32 | 113.9° | 180.0° |
C34 | C35 | C36 | C37 | 140.4° | 180.0° |
C35 | C34 | C33 | H53 | 125.6° | 60.0° |
C35 | C34 | C33 | H54 | 6.7° | 60.0° |
C35 | C34 | H55 | H56 | 118.9° | 120.0° |
C34 | C35 | H57 | H58 | 119.2° | 120.0° |
C34 | C35 | C36 | H59 | 20.7° | 60.0° |
C34 | C35 | C36 | H60 | 99.9° | 60.0° |
C48 | C47 | C46 | H76 | 119.7° | 120.0° |
C48 | C47 | C46 | H77 | 119.7° | 120.0° |
C48 | C47 | C46 | C45 | 176.2° | 180.0° |
C48 | C47 | C46 | H74 | 56.1° | 60.0° |
C48 | C47 | C46 | H75 | 63.7° | 60.0° |
C48 | C47 | H76 | H77 | 120.8° | 120.0° |
C47 | C48 | H78 | H79 | 117.6° | 120.0° |
C47 | C48 | C49 | H80 | 12.3° | 60.0° |
C47 | C48 | C49 | H81 | 132.4° | 60.0° |
C34 | C33 | C32 | H53 | 120.5° | 119.9° |
C34 | C33 | C32 | H54 | 120.5° | 120.0° |
C34 | C33 | C32 | C31 | 100.2° | 180.0° |
C34 | C33 | C32 | H51 | 139.4° | 60.1° |
C34 | C33 | C32 | H52 | 20.3° | 60.0° |
C34 | C33 | H53 | H54 | 118.4° | 120.0° |
C33 | C34 | H55 | H56 | 118.9° | 119.9° |
C33 | C34 | C35 | H57 | 158.9° | 60.0° |
C33 | C34 | C35 | H58 | 39.4° | 60.0° |
C33 | C32 | C31 | H51 | 120.5° | 120.0° |
C33 | C32 | C31 | H52 | 120.5° | 120.0° |
C33 | C32 | C31 | C30 | 177.1° | 180.0° |
C33 | C32 | C31 | H49 | 57.3° | 60.0° |
C33 | C32 | C31 | H50 | 63.2° | 60.0° |
C33 | C32 | H51 | H52 | 118.6° | 120.1° |
C32 | C33 | H53 | H54 | 118.4° | 120.1° |
C32 | C33 | C34 | H55 | 6.5° | 60.0° |
C32 | C33 | C34 | H56 | 125.8° | 59.9° |
C36 | C37 | C38 | H61 | 120.5° | 120.0° |
C36 | C37 | C38 | H62 | 120.5° | 120.0° |
C37 | C36 | C35 | H57 | 20.2° | 60.0° |
C37 | C36 | C35 | H58 | 99.4° | 60.0° |
C37 | C36 | H59 | H60 | 120.9° | 120.0° |
C36 | C37 | H61 | H62 | 118.4° | 120.0° |
C36 | C37 | C38 | H63 | 180.0° | 180.0° |
C36 | C37 | C38 | H64 | 60.0° | 60.0° |
C36 | C37 | C38 | H65 | 60.0° | 60.0° |
C38 | C37 | C36 | H59 | 57.9° | 60.0° |
C38 | C37 | C36 | H60 | 62.6° | 60.0° |
C38 | C37 | H61 | H62 | 118.4° | 120.0° |
C37 | C38 | H63 | H64 | 120.0° | 120.0° |
C37 | C38 | H63 | H65 | 120.0° | 120.0° |
C37 | C38 | H64 | H65 | 120.0° | 120.0° |
C47 | C46 | C45 | H74 | 120.1° | 120.0° |
C47 | C46 | C45 | H75 | 120.1° | 120.0° |
C47 | C46 | C45 | C44 | 130.1° | 180.0° |
C47 | C46 | C45 | H72 | 109.9° | 60.0° |
C47 | C46 | C45 | H73 | 10.2° | 60.0° |
C47 | C46 | H74 | H75 | 119.7° | 120.0° |
C46 | C47 | H76 | H77 | 120.8° | 120.0° |
C46 | C47 | C48 | H78 | 102.8° | 60.0° |
C46 | C47 | C48 | H79 | 15.6° | 60.0° |
C46 | C45 | C44 | H72 | 120.0° | 119.9° |
C46 | C45 | C44 | H73 | 120.0° | 120.0° |
C46 | C45 | C44 | C43 | 69.5° | 180.0° |
C46 | C45 | C44 | H70 | 49.9° | 60.1° |
C46 | C45 | C44 | H71 | 171.2° | 60.0° |
C46 | C45 | H72 | H73 | 120.0° | 120.0° |
C45 | C46 | H74 | H75 | 119.7° | 120.0° |
C45 | C46 | C47 | H76 | 64.1° | 60.0° |
C45 | C46 | C47 | H77 | 56.5° | 60.0° |
C32 | C31 | C30 | H49 | 119.7° | 120.0° |
C32 | C31 | C30 | H50 | 119.8° | 119.9° |
C32 | C31 | C30 | C29 | 139.2° | 180.0° |
C32 | C31 | C30 | H47 | 18.7° | 60.0° |
C32 | C31 | C30 | H48 | 100.2° | 60.0° |
C32 | C31 | H49 | H50 | 120.7° | 120.0° |
C31 | C32 | H51 | H52 | 118.6° | 120.0° |
C31 | C32 | C33 | H53 | 20.4° | 60.1° |
C31 | C32 | C33 | H54 | 139.3° | 60.0° |
C45 | C44 | C43 | H70 | 119.3° | 119.9° |
C45 | C44 | C43 | H71 | 119.3° | 120.0° |
C45 | C44 | C43 | C41 | 109.4° | 180.0° |
C45 | C44 | C43 | H68 | 10.7° | 60.1° |
C45 | C44 | C43 | H69 | 130.4° | 60.0° |
C45 | C44 | H70 | H71 | 121.9° | 120.0° |
C44 | C45 | H72 | H73 | 120.0° | 120.1° |
C44 | C45 | C46 | H74 | 10.1° | 60.1° |
C44 | C45 | C46 | H75 | 109.8° | 60.0° |
C31 | C30 | C29 | H47 | 120.6° | 120.0° |
C31 | C30 | C29 | H48 | 120.6° | 119.9° |
C31 | C30 | C29 | C28 | 138.2° | 180.0° |
C31 | C30 | C29 | H45 | 18.0° | 60.0° |
C31 | C30 | C29 | H46 | 101.6° | 60.0° |
C31 | C30 | H47 | H48 | 118.2° | 120.0° |
C30 | C31 | H49 | H50 | 120.7° | 120.1° |
C30 | C31 | C32 | H51 | 62.5° | 60.0° |
C30 | C31 | C32 | H52 | 56.6° | 60.0° |
C44 | C43 | C41 | H68 | 120.1° | 120.0° |
C44 | C43 | C41 | H69 | 120.1° | 120.0° |
C44 | C43 | C41 | O40 | 58.3° | 179.9° |
C44 | C43 | C41 | O42 | 152.5° | 0.0° |
C44 | C43 | H68 | H69 | 119.6° | 120.0° |
C43 | C44 | H70 | H71 | 121.9° | 120.1° |
C43 | C44 | C45 | H72 | 170.5° | 60.1° |
C43 | C44 | C45 | H73 | 50.5° | 60.0° |
C43 | C41 | O40 | O42 | 149.5° | 180.0° |
C43 | C41 | O40 | C39 | 103.2° | 180.0° |
C41 | C43 | H68 | H69 | 119.6° | 120.1° |
C41 | C43 | C44 | H70 | 131.2° | 60.0° |
C41 | C43 | C44 | H71 | 9.9° | 60.0° |
C30 | C29 | C28 | H45 | 120.2° | 120.0° |
C30 | C29 | C28 | H46 | 120.2° | 119.9° |
C30 | C29 | C28 | C27 | 147.4° | NaN° |
C30 | C29 | C28 | H12 | 27.7° | 60.0° |
C30 | C29 | C28 | H13 | 93.0° | 60.0° |
C30 | C29 | H45 | H46 | 119.4° | 120.0° |
C29 | C30 | H47 | H48 | 118.2° | 120.0° |
C29 | C30 | C31 | H49 | 101.0° | 60.0° |
C29 | C30 | C31 | H50 | 19.5° | 60.1° |
C29 | C28 | C27 | H12 | 119.6° | 119.9° |
C29 | C28 | C27 | H13 | 119.7° | 120.0° |
C29 | C28 | C27 | C26 | 172.2° | 180.0° |
C29 | C28 | H12 | H13 | 121.1° | 120.0° |
C29 | C28 | C27 | H43 | 51.7° | 60.0° |
C29 | C28 | C27 | H44 | 67.3° | 60.0° |
C28 | C29 | H45 | H46 | 119.5° | 120.1° |
C28 | C29 | C30 | H47 | 101.2° | 60.0° |
C28 | C29 | C30 | H48 | 17.7° | 60.0° |
C13 | C14 | C15 | H37 | 120.6° | 120.0° |
C13 | C14 | C15 | H38 | 120.5° | 120.0° |
C14 | C13 | C12 | H3 | 120.6° | 120.0° |
C14 | C13 | C12 | H4 | 120.6° | 120.0° |
C13 | C14 | C15 | C16 | 147.7° | 180.0° |
C14 | C13 | C12 | C11 | 150.6° | 180.0° |
C14 | C13 | H3 | H4 | 118.2° | 120.0° |
C13 | C14 | C15 | H5 | 91.2° | 60.0° |
C13 | C14 | C15 | H6 | 26.6° | 60.0° |
C14 | C13 | C12 | H35 | 89.0° | 60.0° |
C14 | C13 | C12 | H36 | 30.1° | 60.0° |
C13 | C14 | H37 | H38 | 118.3° | 120.0° |
C15 | C14 | C13 | C12 | 120.5° | 180.0° |
C14 | C15 | C16 | H5 | 121.1° | 120.0° |
C14 | C15 | C16 | H6 | 121.1° | 120.0° |
C14 | C15 | C16 | O18 | 18.0° | 180.0° |
C14 | C15 | C16 | O17 | 169.4° | 0.0° |
C15 | C14 | C13 | H3 | 0.1° | 60.0° |
C15 | C14 | C13 | H4 | 118.9° | 60.0° |
C14 | C15 | H5 | H6 | 116.5° | 120.0° |
C15 | C14 | H37 | H38 | 118.3° | 120.0° |
C13 | C12 | C11 | H35 | 120.4° | 120.0° |
C13 | C12 | C11 | H36 | 120.4° | 119.9° |
C13 | C12 | C11 | C10 | 148.0° | 180.0° |
C12 | C13 | H3 | H4 | 118.2° | 120.0° |
C13 | C12 | C11 | H33 | 27.8° | 60.1° |
C13 | C12 | C11 | H34 | 91.7° | 60.0° |
C13 | C12 | H35 | H36 | 118.7° | 120.0° |
C12 | C13 | C14 | H37 | 0.1° | 60.0° |
C12 | C13 | C14 | H38 | 119.0° | 60.0° |
C41 | O40 | C39 | C20 | 144.1° | 180.0° |
C41 | O40 | C39 | H66 | 24.6° | 60.0° |
C41 | O40 | C39 | H67 | 96.4° | 60.0° |
O40 | C41 | C43 | H68 | 178.4° | 60.0° |
O40 | C41 | C43 | H69 | 61.8° | 60.0° |
O42 | C41 | O40 | C39 | 46.3° | 0.0° |
O42 | C41 | C43 | H68 | 32.4° | 120.0° |
O42 | C41 | C43 | H69 | 87.4° | 120.0° |
C15 | C16 | O18 | O17 | 152.8° | 180.0° |
C15 | C16 | O18 | C19 | 90.5° | 180.0° |
C16 | C15 | H5 | H6 | 116.5° | 120.0° |
C16 | C15 | C14 | H37 | 27.1° | 60.0° |
C16 | C15 | C14 | H38 | 91.8° | 60.0° |
O40 | C39 | C20 | H66 | 119.5° | 120.0° |
O40 | C39 | C20 | H67 | 119.5° | 120.0° |
O40 | C39 | C20 | C19 | 148.3° | 175.0° |
O40 | C39 | C20 | O21 | 87.2° | 65.0° |
O40 | C39 | C20 | H7 | 33.4° | 55.0° |
O40 | C39 | H66 | H67 | 121.4° | 120.0° |
C28 | C27 | C26 | H43 | 120.5° | 120.0° |
C28 | C27 | C26 | H44 | 120.5° | 120.0° |
C28 | C27 | C26 | C25 | 178.2° | 180.0° |
C28 | C27 | C26 | H10 | 62.2° | 60.0° |
C28 | C27 | C26 | H11 | 58.6° | 60.0° |
C27 | C28 | H12 | H13 | 121.0° | 120.1° |
C28 | C27 | H43 | H44 | 118.4° | 120.0° |
C27 | C28 | C29 | H45 | 92.5° | 60.0° |
C27 | C28 | C29 | H46 | 27.2° | 60.1° |
C12 | C11 | C10 | H33 | 120.2° | 119.9° |
C12 | C11 | C10 | H34 | 120.2° | 120.0° |
C12 | C11 | C10 | C09 | 169.9° | 180.0° |
C12 | C11 | C10 | H1 | 49.1° | 60.0° |
C12 | C11 | C10 | H2 | 69.2° | 60.0° |
C11 | C12 | C13 | H3 | 30.0° | 60.0° |
C11 | C12 | C13 | H4 | 88.8° | 60.0° |
C12 | C11 | H33 | H34 | 119.3° | 120.0° |
C11 | C12 | H35 | H36 | 118.6° | 120.0° |
C27 | C26 | C25 | H10 | 119.6° | 120.0° |
C27 | C26 | C25 | H11 | 119.6° | 120.0° |
C27 | C26 | C25 | C24 | 165.0° | 180.0° |
C27 | C26 | H10 | H11 | 121.1° | 120.0° |
C26 | C27 | C28 | H12 | 68.1° | 60.0° |
C26 | C27 | C28 | H13 | 52.6° | 60.0° |
C27 | C26 | C25 | H41 | 44.2° | 59.9° |
C27 | C26 | C25 | H42 | 74.2° | 60.0° |
C26 | C27 | H43 | H44 | 118.5° | 120.0° |
C16 | O18 | C19 | C20 | 113.4° | 180.0° |
O18 | C16 | C15 | H5 | 139.1° | 60.0° |
O18 | C16 | C15 | H6 | 103.1° | 60.0° |
C16 | O18 | C19 | H39 | 127.5° | 60.0° |
C16 | O18 | C19 | H40 | 5.7° | 60.0° |
O17 | C16 | O18 | C19 | 62.3° | 0.0° |
O17 | C16 | C15 | H5 | 69.5° | 119.9° |
O17 | C16 | C15 | H6 | 48.2° | 120.0° |
O18 | C19 | C20 | C39 | 51.6° | 175.0° |
O18 | C19 | C20 | H39 | 119.1° | 120.0° |
O18 | C19 | C20 | H40 | 119.1° | 120.0° |
O18 | C19 | C20 | O21 | 174.8° | 65.0° |
O18 | C19 | C20 | H7 | 63.4° | 55.0° |
O18 | C19 | H39 | H40 | 122.6° | 120.0° |
C39 | C20 | C19 | O21 | 123.2° | 120.0° |
C39 | C20 | C19 | H7 | 115.0° | 120.0° |
C39 | C20 | O21 | H7 | 120.0° | 120.0° |
C39 | C20 | O21 | C22 | 44.2° | 150.0° |
C39 | C20 | C19 | H39 | 67.5° | 55.0° |
C39 | C20 | C19 | H40 | 170.7° | 65.0° |
C20 | C39 | H66 | H67 | 121.4° | 120.0° |
C11 | C10 | C09 | H1 | 120.9° | 120.0° |
C11 | C10 | C09 | H2 | 120.9° | 120.0° |
C11 | C10 | C09 | C08 | 171.0° | 180.0° |
C11 | C10 | H1 | H2 | 117.3° | 120.0° |
C11 | C10 | C09 | H31 | 50.9° | 60.0° |
C11 | C10 | C09 | H32 | 69.0° | 60.0° |
C10 | C11 | H33 | H34 | 119.4° | 120.0° |
C10 | C11 | C12 | H35 | 91.5° | 60.0° |
C10 | C11 | C12 | H36 | 27.6° | 60.1° |
C26 | C25 | C24 | H41 | 120.8° | 120.0° |
C26 | C25 | C24 | H42 | 120.8° | 120.0° |
C26 | C25 | C24 | C22 | 68.5° | 180.0° |
C26 | C25 | C24 | H8 | 171.4° | 60.0° |
C26 | C25 | C24 | H9 | 51.6° | 60.0° |
C25 | C26 | H10 | H11 | 121.2° | 120.0° |
C26 | C25 | H41 | H42 | 117.6° | 120.0° |
C25 | C26 | C27 | H43 | 57.7° | 60.0° |
C25 | C26 | C27 | H44 | 61.3° | 60.0° |
C25 | C24 | C22 | O23 | 56.0° | 0.0° |
C25 | C24 | C22 | H8 | 120.1° | 120.0° |
C25 | C24 | C22 | H9 | 120.1° | 120.0° |
C25 | C24 | C22 | O21 | 134.0° | 180.0° |
C25 | C24 | H8 | H9 | 119.8° | 120.0° |
C24 | C25 | C26 | H10 | 75.4° | 60.0° |
C24 | C25 | C26 | H11 | 45.4° | 60.0° |
C24 | C25 | H41 | H42 | 117.5° | 120.0° |
C19 | C20 | O21 | H7 | 121.3° | 120.0° |
C19 | C20 | O21 | C22 | 162.9° | 90.0° |
C20 | C19 | H39 | H40 | 122.6° | 120.0° |
C19 | C20 | C39 | H66 | 92.2° | 65.0° |
C19 | C20 | C39 | H67 | 28.8° | 55.0° |
C20 | O21 | C22 | O23 | 89.4° | 0.0° |
C20 | O21 | C22 | C24 | 100.8° | 180.0° |
O21 | C20 | C19 | H39 | 55.6° | 175.0° |
O21 | C20 | C19 | H40 | 66.2° | 55.0° |
O21 | C20 | C39 | H66 | 32.3° | 55.0° |
O21 | C20 | C39 | H67 | 153.3° | 175.0° |
C01 | C02 | C03 | H17 | 119.9° | 120.1° |
C01 | C02 | C03 | H18 | 119.9° | 119.9° |
C01 | C02 | C03 | C04 | 157.8° | 180.0° |
C02 | C01 | H14 | H15 | 120.0° | 119.9° |
C02 | C01 | H14 | H16 | 120.0° | 120.1° |
C02 | C01 | H15 | H16 | 120.0° | 120.0° |
C01 | C02 | H17 | H18 | 120.2° | 120.0° |
C01 | C02 | C03 | H19 | 81.7° | 59.9° |
C01 | C02 | C03 | H20 | 37.3° | 60.1° |
C10 | C09 | C08 | H31 | 120.0° | 120.0° |
C10 | C09 | C08 | H32 | 120.0° | 120.0° |
C10 | C09 | C08 | C07 | 119.0° | 180.0° |
C09 | C10 | H1 | H2 | 117.3° | 120.0° |
C10 | C09 | C08 | H29 | 1.7° | 60.0° |
C10 | C09 | C08 | H30 | 120.3° | 60.0° |
C10 | C09 | H31 | H32 | 119.8° | 120.0° |
C09 | C10 | C11 | H33 | 69.9° | 60.0° |
C09 | C10 | C11 | H34 | 49.7° | 60.0° |
O23 | C22 | C24 | O21 | 170.1° | 180.0° |
O23 | C22 | C24 | H8 | 176.1° | 120.0° |
O23 | C22 | C24 | H9 | 64.1° | 120.0° |
C22 | C24 | H8 | H9 | 119.8° | 120.0° |
C22 | C24 | C25 | H41 | 52.3° | 60.0° |
C22 | C24 | C25 | H42 | 170.7° | 60.0° |
C22 | O21 | C20 | H7 | 75.8° | 30.0° |
O21 | C22 | C24 | H8 | 13.9° | 60.0° |
O21 | C22 | C24 | H9 | 106.0° | 60.0° |
C09 | C08 | C07 | C06 | 86.5° | NaN° |
C09 | C08 | C07 | H29 | 120.7° | 119.9° |
C09 | C08 | C07 | H30 | 120.7° | 120.0° |
C08 | C09 | C10 | H1 | 68.2° | 60.0° |
C08 | C09 | C10 | H2 | 50.1° | 60.0° |
C09 | C08 | C07 | H27 | 34.3° | 60.1° |
C09 | C08 | C07 | H28 | 152.8° | 60.0° |
C09 | C08 | H29 | H30 | 117.7° | 120.0° |
C08 | C09 | H31 | H32 | 119.9° | 120.0° |
C02 | C03 | C04 | H19 | 120.5° | 120.0° |
C02 | C03 | C04 | H20 | 120.5° | 119.9° |
C02 | C03 | C04 | C05 | 143.5° | 180.0° |
C03 | C02 | C01 | H14 | 180.0° | 180.0° |
C03 | C02 | C01 | H15 | 60.0° | 60.0° |
C03 | C02 | C01 | H16 | 60.0° | 59.9° |
C03 | C02 | H17 | H18 | 120.2° | 120.0° |
C02 | C03 | H19 | H20 | 118.5° | 119.9° |
C02 | C03 | C04 | H21 | 95.9° | 60.0° |
C02 | C03 | C04 | H22 | 23.0° | 60.1° |
C03 | C04 | C05 | C06 | 81.9° | 180.0° |
C03 | C04 | C05 | H21 | 120.6° | 120.0° |
C03 | C04 | C05 | H22 | 120.6° | 119.9° |
C04 | C03 | C02 | H17 | 37.9° | 59.9° |
C04 | C03 | C02 | H18 | 82.3° | 60.1° |
C04 | C03 | H19 | H20 | 118.6° | 120.1° |
C03 | C04 | H21 | H22 | 118.2° | 120.0° |
C03 | C04 | C05 | H23 | 38.4° | 59.9° |
C03 | C04 | C05 | H24 | 157.8° | 60.1° |
C07 | C06 | C05 | H25 | 120.8° | 120.0° |
C07 | C06 | C05 | H26 | 120.8° | 120.0° |
C07 | C06 | C05 | C04 | 132.8° | 180.0° |
C06 | C07 | C08 | H27 | 120.8° | 119.9° |
C06 | C07 | C08 | H28 | 120.8° | 120.0° |
C07 | C06 | C05 | H23 | 106.9° | 60.0° |
C07 | C06 | C05 | H24 | 12.6° | 60.0° |
C07 | C06 | H25 | H26 | 117.6° | 120.0° |
C06 | C07 | H27 | H28 | 117.5° | 120.0° |
C06 | C07 | C08 | H29 | 34.3° | 60.1° |
C06 | C07 | C08 | H30 | 152.8° | 60.0° |
C06 | C05 | C04 | H23 | 120.3° | 120.1° |
C06 | C05 | C04 | H24 | 120.3° | 119.9° |
C05 | C06 | C07 | C08 | 129.0° | 179.9° |
C06 | C05 | C04 | H21 | 38.7° | 60.0° |
C06 | C05 | C04 | H22 | 157.5° | 60.1° |
C06 | C05 | H23 | H24 | 119.2° | 120.0° |
C05 | C06 | H25 | H26 | 117.6° | 120.0° |
C05 | C06 | C07 | H27 | 110.2° | 60.0° |
C05 | C06 | C07 | H28 | 8.2° | 60.0° |
C05 | C04 | C03 | H19 | 23.1° | 60.0° |
C05 | C04 | C03 | H20 | 96.0° | 60.1° |
C05 | C04 | H21 | H22 | 118.2° | 120.0° |
C04 | C05 | H23 | H24 | 119.2° | 120.0° |
C04 | C05 | C06 | H25 | 12.1° | 59.9° |
C04 | C05 | C06 | H26 | 106.4° | 60.0° |
C08 | C07 | C06 | H25 | 110.2° | 60.0° |
C08 | C07 | C06 | H26 | 8.2° | 60.0° |
C08 | C07 | H27 | H28 | 117.5° | 120.0° |
C07 | C08 | H29 | H30 | 117.7° | 120.0° |
C07 | C08 | C09 | H31 | 121.0° | 60.0° |
C07 | C08 | C09 | H32 | 1.0° | 60.0° |
H1 | C10 | C09 | H31 | 171.8° | 60.1° |
H1 | C10 | C09 | H32 | 51.9° | 180.0° |
H1 | C10 | C11 | H33 | 169.3° | 180.0° |
H1 | C10 | C11 | H34 | 71.2° | 60.0° |
H2 | C10 | C09 | H31 | 70.0° | 180.0° |
H2 | C10 | C09 | H32 | 170.1° | 60.1° |
H2 | C10 | C11 | H33 | 51.0° | 60.0° |
H2 | C10 | C11 | H34 | 170.6° | 180.0° |
H3 | C13 | C12 | H35 | 150.4° | 60.0° |
H3 | C13 | C12 | H36 | 90.5° | 180.0° |
H3 | C13 | C14 | H37 | 120.7° | 180.0° |
H3 | C13 | C14 | H38 | 120.4° | 60.1° |
H4 | C13 | C12 | H35 | 31.6° | 180.0° |
H4 | C13 | C12 | H36 | 150.8° | 60.0° |
H4 | C13 | C14 | H37 | 120.5° | 60.1° |
H4 | C13 | C14 | H38 | 1.6° | 180.0° |
H5 | C15 | C14 | H37 | 148.2° | 180.0° |
H5 | C15 | C14 | H38 | 29.3° | 60.0° |
H6 | C15 | C14 | H37 | 94.0° | 60.0° |
H6 | C15 | C14 | H38 | 147.1° | 180.0° |
H7 | C20 | C19 | H39 | 177.5° | 65.1° |
H7 | C20 | C19 | H40 | 55.7° | 175.0° |
H7 | C20 | C39 | H66 | 152.9° | 175.0° |
H7 | C20 | C39 | H67 | 86.1° | 65.0° |
H8 | C24 | C25 | H41 | 67.8° | 180.0° |
H8 | C24 | C25 | H42 | 50.6° | 60.0° |
H9 | C24 | C25 | H41 | 172.4° | 60.1° |
H9 | C24 | C25 | H42 | 69.2° | 180.0° |
H10 | C26 | C25 | H41 | 163.8° | 180.0° |
H10 | C26 | C25 | H42 | 45.4° | 60.0° |
H10 | C26 | C27 | H43 | 177.3° | 180.0° |
H10 | C26 | C27 | H44 | 58.3° | 60.0° |
H11 | C26 | C25 | H41 | 75.4° | 60.0° |
H11 | C26 | C25 | H42 | 166.2° | 180.0° |
H11 | C26 | C27 | H43 | 61.9° | 60.0° |
H11 | C26 | C27 | H44 | 179.1° | 180.0° |
H12 | C28 | C27 | H43 | 171.4° | 180.0° |
H12 | C28 | C27 | H44 | 52.4° | 59.9° |
H12 | C28 | C29 | H45 | 147.9° | 180.0° |
H12 | C28 | C29 | H46 | 92.5° | 59.9° |
H13 | C28 | C27 | H43 | 68.0° | 60.0° |
H13 | C28 | C27 | H44 | 173.1° | 180.0° |
H13 | C28 | C29 | H45 | 27.2° | 60.0° |
H13 | C28 | C29 | H46 | 146.9° | 179.9° |
H14 | C01 | H15 | H16 | 120.0° | 120.0° |
H14 | C01 | C02 | H17 | 60.1° | 59.9° |
H14 | C01 | C02 | H18 | 60.1° | 60.1° |
H15 | C01 | C02 | H17 | 59.9° | 60.0° |
H15 | C01 | C02 | H18 | 179.9° | 180.0° |
H16 | C01 | C02 | H17 | 179.9° | 180.0° |
H16 | C01 | C02 | H18 | 59.9° | 60.0° |
H17 | C02 | C03 | H19 | 158.4° | 180.0° |
H17 | C02 | C03 | H20 | 82.6° | 60.0° |
H18 | C02 | C03 | H19 | 38.2° | 60.0° |
H18 | C02 | C03 | H20 | 157.2° | 180.0° |
H19 | C03 | C04 | H21 | 143.6° | 180.0° |
H19 | C03 | C04 | H22 | 97.5° | 60.0° |
H20 | C03 | C04 | H21 | 24.6° | 59.9° |
H20 | C03 | C04 | H22 | 143.4° | 180.0° |
H21 | C04 | C05 | H23 | 158.9° | 179.9° |
H21 | C04 | C05 | H24 | 81.6° | 59.9° |
H22 | C04 | C05 | H23 | 82.2° | 60.0° |
H22 | C04 | C05 | H24 | 37.3° | 180.0° |
H23 | C05 | C06 | H25 | 132.3° | 180.0° |
H23 | C05 | C06 | H26 | 13.9° | 60.0° |
H24 | C05 | C06 | H25 | 108.2° | 60.0° |
H24 | C05 | C06 | H26 | 133.3° | 180.0° |
H25 | C06 | C07 | H27 | 10.6° | 180.0° |
H25 | C06 | C07 | H28 | 129.0° | 60.0° |
H26 | C06 | C07 | H27 | 129.0° | 60.0° |
H26 | C06 | C07 | H28 | 112.5° | 180.0° |
H27 | C07 | C08 | H29 | 155.0° | 180.0° |
H27 | C07 | C08 | H30 | 86.4° | 60.0° |
H28 | C07 | C08 | H29 | 86.5° | 60.0° |
H28 | C07 | C08 | H30 | 32.0° | 180.0° |
H29 | C08 | C09 | H31 | 118.3° | 60.0° |
H29 | C08 | C09 | H32 | 121.8° | 180.0° |
H30 | C08 | C09 | H31 | 0.3° | 180.0° |
H30 | C08 | C09 | H32 | 119.7° | 60.0° |
H33 | C11 | C12 | H35 | 148.2° | 60.0° |
H33 | C11 | C12 | H36 | 92.6° | 180.0° |
H34 | C11 | C12 | H35 | 28.7° | 180.0° |
H34 | C11 | C12 | H36 | 147.8° | 60.0° |
H45 | C29 | C30 | H47 | 138.6° | 180.0° |
H45 | C29 | C30 | H48 | 102.5° | 60.0° |
H46 | C29 | C30 | H47 | 19.0° | 60.0° |
H46 | C29 | C30 | H48 | 137.9° | 180.0° |
H47 | C30 | C31 | H49 | 138.4° | 180.0° |
H47 | C30 | C31 | H50 | 101.1° | 60.0° |
H48 | C30 | C31 | H49 | 19.6° | 59.9° |
H48 | C30 | C31 | H50 | 140.1° | 180.0° |
H49 | C31 | C32 | H51 | 177.8° | 180.0° |
H49 | C31 | C32 | H52 | 63.2° | 60.0° |
H50 | C31 | C32 | H51 | 57.3° | 60.0° |
H50 | C31 | C32 | H52 | 176.4° | 180.0° |
H51 | C32 | C33 | H53 | 100.1° | 180.0° |
H51 | C32 | C33 | H54 | 18.8° | 59.9° |
H52 | C32 | C33 | H53 | 140.8° | 59.9° |
H52 | C32 | C33 | H54 | 100.2° | 180.0° |
H53 | C33 | C34 | H55 | 114.0° | 179.9° |
H53 | C33 | C34 | H56 | 5.3° | 60.0° |
H54 | C33 | C34 | H55 | 127.1° | 60.0° |
H54 | C33 | C34 | H56 | 113.7° | 180.0° |
H55 | C34 | C35 | H57 | 80.7° | 180.0° |
H55 | C34 | C35 | H58 | 159.8° | 60.0° |
H56 | C34 | C35 | H57 | 38.5° | 60.0° |
H56 | C34 | C35 | H58 | 81.0° | 180.0° |
H57 | C35 | C36 | H59 | 99.6° | 180.0° |
H57 | C35 | C36 | H60 | 139.9° | 60.0° |
H58 | C35 | C36 | H59 | 140.9° | 60.0° |
H58 | C35 | C36 | H60 | 20.4° | 180.0° |
H59 | C36 | C37 | H61 | 178.5° | 180.0° |
H59 | C36 | C37 | H62 | 62.6° | 60.0° |
H60 | C36 | C37 | H61 | 57.9° | 60.0° |
H60 | C36 | C37 | H62 | 176.8° | 180.0° |
H61 | C37 | C38 | H63 | 59.5° | 60.0° |
H61 | C37 | C38 | H64 | 179.5° | 180.0° |
H61 | C37 | C38 | H65 | 60.6° | 60.0° |
H62 | C37 | C38 | H63 | 59.4° | 60.0° |
H62 | C37 | C38 | H64 | 60.6° | 60.0° |
H62 | C37 | C38 | H65 | 179.5° | 180.0° |
H63 | C38 | H64 | H65 | 120.0° | 120.0° |
H68 | C43 | C44 | H70 | 108.7° | NaN° |
H68 | C43 | C44 | H71 | 130.0° | 60.0° |
H69 | C43 | C44 | H70 | 11.1° | 60.0° |
H69 | C43 | C44 | H71 | 110.2° | 180.0° |
H70 | C44 | C45 | H72 | 70.1° | 180.0° |
H70 | C44 | C45 | H73 | 169.8° | 60.0° |
H71 | C44 | C45 | H72 | 51.2° | 60.0° |
H71 | C44 | C45 | H73 | 68.9° | 180.0° |
H72 | C45 | C46 | H74 | 130.0° | 180.0° |
H72 | C45 | C46 | H75 | 10.2° | 60.0° |
H73 | C45 | C46 | H74 | 109.9° | 60.0° |
H73 | C45 | C46 | H75 | 130.2° | 180.0° |
H74 | C46 | C47 | H76 | 175.8° | 180.0° |
H74 | C46 | C47 | H77 | 63.6° | 60.0° |
H75 | C46 | C47 | H76 | 56.0° | 60.0° |
H75 | C46 | C47 | H77 | 176.5° | 180.0° |
H76 | C47 | C48 | H78 | 137.5° | 180.0° |
H76 | C47 | C48 | H79 | 104.1° | 60.0° |
H77 | C47 | C48 | H78 | 16.9° | 60.0° |
H77 | C47 | C48 | H79 | 135.4° | 180.0° |
H78 | C48 | C49 | H80 | 133.0° | 180.0° |
H78 | C48 | C49 | H81 | 106.9° | 60.0° |
H79 | C48 | C49 | H80 | 108.5° | 60.0° |
H79 | C48 | C49 | H81 | 11.6° | 180.0° |
H80 | C49 | C50 | H82 | 13.3° | 180.0° |
H80 | C49 | C50 | H83 | 133.1° | 60.0° |
H81 | C49 | C50 | H82 | 133.4° | 60.0° |
H81 | C49 | C50 | H83 | 106.8° | 180.0° |
H82 | C50 | C51 | H84 | 79.6° | 179.9° |
H82 | C50 | C51 | H85 | 160.6° | 59.9° |
H83 | C50 | C51 | H84 | 40.2° | 60.0° |
H83 | C50 | C51 | H85 | 79.7° | 180.0° |
H84 | C51 | C52 | H86 | 174.9° | 179.9° |
H84 | C51 | C52 | H87 | 66.1° | 60.0° |
H85 | C51 | C52 | H86 | 55.1° | 60.0° |
H85 | C51 | C52 | H87 | 174.0° | 180.0° |
H86 | C52 | C53 | H88 | 27.2° | 179.9° |
H86 | C52 | C53 | H89 | 91.3° | 60.0° |
H87 | C52 | C53 | H88 | 146.2° | 60.1° |
H87 | C52 | C53 | H89 | 27.6° | 180.0° |
H88 | C53 | C54 | H90 | 168.5° | 180.0° |
H88 | C53 | C54 | H91 | 48.3° | 60.0° |
H89 | C53 | C54 | H90 | 72.9° | 60.0° |
H89 | C53 | C54 | H91 | 166.8° | 180.0° |
H90 | C54 | C55 | H92 | 178.3° | 180.0° |
H90 | C54 | C55 | H93 | 58.0° | 60.0° |
H91 | C54 | C55 | H92 | 61.4° | 59.9° |
H91 | C54 | C55 | H93 | 178.3° | 179.9° |
H92 | C55 | C56 | H94 | 163.8° | 180.0° |
H92 | C55 | C56 | H95 | 76.5° | 59.9° |
H93 | C55 | C56 | H94 | 43.5° | 60.0° |
H93 | C55 | C56 | H95 | 163.2° | 179.9° |
H94 | C56 | C57 | H96 | 59.8° | 60.0° |
H94 | C56 | C57 | H97 | 60.2° | 180.0° |
H94 | C56 | C57 | H98 | 179.8° | 60.1° |
H95 | C56 | C57 | H96 | 59.9° | 60.0° |
H95 | C56 | C57 | H97 | 179.9° | 60.0° |
H95 | C56 | C57 | H98 | 60.2° | 179.9° |
H96 | C57 | H97 | H98 | 120.0° | 120.0° |