DU0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C12 | sing | 1.53Å | 1.53Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C12 | C14 | sing | 1.53Å | 1.54Å | |
C11 | O10 | sing | 1.43Å | 1.40Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
O10 | C09 | sing | 1.42Å | 1.42Å | |
C15 | C09 | sing | 1.52Å | 1.52Å | |
C09 | O16 | sing | 1.44Å | 1.40Å | |
C09 | C07 | sing | 1.54Å | 1.53Å | |
C08 | C07 | sing | 1.53Å | 1.53Å | |
O16 | C05 | sing | 1.44Å | 1.39Å | |
C07 | C06 | sing | 1.55Å | 1.53Å | |
C05 | C06 | sing | 1.56Å | 1.53Å | |
C05 | C04 | sing | 1.55Å | 1.53Å | |
C06 | C02 | sing | 1.52Å | 1.54Å | |
C04 | C03 | sing | 1.53Å | 1.53Å | |
C02 | C01 | sing | 1.53Å | 1.54Å | |
C02 | C03 | sing | 1.55Å | 1.54Å | |
C02 | C81 | sing | 1.52Å | 1.53Å | |
C03 | C17 | sing | 1.52Å | 1.53Å | |
C81 | C80 | sing | 1.54Å | 1.54Å | |
C17 | C18 | sing | 1.53Å | 1.53Å | |
C17 | C79 | sing | 1.53Å | 1.54Å | |
C80 | C79 | sing | 1.53Å | 1.54Å | |
C18 | C19 | sing | 1.50Å | 1.50Å | |
C79 | C77 | sing | 1.52Å | 1.55Å | |
C19 | C20 | doub | 1.30Å | 1.34Å | |
C77 | C20 | sing | 1.50Å | 1.52Å | |
C77 | C78 | sing | 1.53Å | 1.54Å | |
C77 | C76 | sing | 1.53Å | 1.54Å | |
C20 | C21 | sing | 1.52Å | 1.52Å | |
C76 | C75 | sing | 1.53Å | 1.53Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C75 | C22 | sing | 1.53Å | 1.52Å | |
C22 | O23 | sing | 1.43Å | 1.40Å | |
O23 | C24 | sing | 1.43Å | 1.40Å | |
C24 | C25 | sing | 1.53Å | 1.53Å | |
C25 | C26 | sing | 1.53Å | 1.53Å | |
C26 | C27 | sing | 1.53Å | 1.59Å | |
C26 | C51 | sing | 1.53Å | 1.60Å | |
C27 | O28 | sing | 1.43Å | 1.37Å | |
C51 | O52 | sing | 1.43Å | 1.42Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C17 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C22 | H9 | sing | 1.09Å | 1.10Å | |
C24 | H10 | sing | 1.09Å | 1.10Å | |
C24 | H11 | sing | 1.09Å | 1.10Å | |
C26 | H12 | sing | 1.09Å | 1.10Å | |
C01 | H13 | sing | 1.09Å | 1.10Å | |
C01 | H14 | sing | 1.09Å | 1.10Å | |
C01 | H15 | sing | 1.09Å | 1.10Å | |
C03 | H16 | sing | 1.09Å | 1.10Å | |
C04 | H17 | sing | 1.09Å | 1.10Å | |
C04 | H18 | sing | 1.09Å | 1.10Å | |
C05 | H19 | sing | 1.09Å | 1.10Å | |
C06 | H20 | sing | 1.09Å | 1.10Å | |
C07 | H21 | sing | 1.09Å | 1.10Å | |
C08 | H22 | sing | 1.09Å | 1.10Å | |
C08 | H23 | sing | 1.09Å | 1.10Å | |
C08 | H24 | sing | 1.09Å | 1.10Å | |
C11 | H25 | sing | 1.09Å | 1.10Å | |
C11 | H26 | sing | 1.09Å | 1.10Å | |
C12 | H27 | sing | 1.09Å | 1.10Å | |
C14 | H28 | sing | 1.09Å | 1.10Å | |
C14 | H29 | sing | 1.09Å | 1.10Å | |
C18 | H30 | sing | 1.09Å | 1.10Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
C19 | H32 | sing | 1.08Å | 1.08Å | |
C25 | H33 | sing | 1.09Å | 1.10Å | |
C25 | H34 | sing | 1.09Å | 1.10Å | |
C27 | H35 | sing | 1.09Å | 1.10Å | |
C27 | H36 | sing | 1.09Å | 1.10Å | |
C51 | H37 | sing | 1.09Å | 1.10Å | |
C51 | H38 | sing | 1.09Å | 1.10Å | |
C75 | H39 | sing | 1.09Å | 1.10Å | |
C75 | H40 | sing | 1.09Å | 1.10Å | |
C76 | H41 | sing | 1.09Å | 1.10Å | |
C76 | H42 | sing | 1.09Å | 1.10Å | |
C78 | H43 | sing | 1.09Å | 1.10Å | |
C78 | H44 | sing | 1.09Å | 1.10Å | |
C78 | H45 | sing | 1.09Å | 1.10Å | |
C79 | H46 | sing | 1.09Å | 1.10Å | |
C80 | H47 | sing | 1.09Å | 1.10Å | |
C80 | H48 | sing | 1.09Å | 1.10Å | |
C81 | H49 | sing | 1.09Å | 1.10Å | |
C81 | H50 | sing | 1.09Å | 1.10Å | |
O28 | H51 | sing | 0.97Å | 0.95Å | |
O52 | H52 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C12 | C11 | 110.3° | 109.5° |
C13 | C12 | C14 | 111.6° | 109.5° |
C12 | C13 | H1 | 109.5° | 109.5° |
C12 | C13 | H2 | 109.5° | 109.5° |
C12 | C13 | H3 | 109.5° | 109.4° |
C13 | C12 | H27 | 107.2° | 109.4° |
C11 | C12 | C14 | 112.9° | 109.3° |
C12 | C11 | O10 | 112.6° | 109.2° |
C12 | C11 | H25 | 108.7° | 109.5° |
C12 | C11 | H26 | 108.7° | 109.5° |
C11 | C12 | H27 | 107.3° | 109.5° |
C12 | C14 | C15 | 112.4° | 109.0° |
C14 | C12 | H27 | 107.1° | 109.6° |
C12 | C14 | H28 | 108.8° | 109.6° |
C12 | C14 | H29 | 108.8° | 109.6° |
C11 | O10 | C09 | 118.2° | 114.0° |
O10 | C11 | H25 | 108.7° | 109.5° |
O10 | C11 | H26 | 108.7° | 109.6° |
C14 | C15 | C09 | 110.1° | 109.4° |
C14 | C15 | H4 | 109.3° | 109.5° |
C14 | C15 | H5 | 109.3° | 109.5° |
C15 | C14 | H28 | 108.7° | 109.5° |
C15 | C14 | H29 | 108.7° | 109.5° |
O10 | C09 | C15 | 114.8° | 111.2° |
O10 | C09 | O16 | 104.1° | 110.3° |
O10 | C09 | C07 | 112.8° | 109.9° |
C15 | C09 | O16 | 107.9° | 110.8° |
C15 | C09 | C07 | 112.5° | 110.3° |
C09 | C15 | H4 | 109.3° | 109.4° |
C09 | C15 | H5 | 109.3° | 109.4° |
O16 | C09 | C07 | 103.5° | 104.1° |
C09 | O16 | C05 | 107.1° | 106.7° |
C09 | C07 | C08 | 116.5° | 111.1° |
C09 | C07 | C06 | 103.3° | 102.2° |
C09 | C07 | H21 | 107.6° | 110.9° |
C08 | C07 | C06 | 114.0° | 110.9° |
C08 | C07 | H21 | 107.5° | 110.8° |
C07 | C08 | H22 | 109.5° | 109.5° |
C07 | C08 | H23 | 109.4° | 109.4° |
C07 | C08 | H24 | 109.5° | 109.4° |
O16 | C05 | C06 | 105.8° | 106.8° |
O16 | C05 | C04 | 112.5° | 108.5° |
O16 | C05 | H19 | 111.2° | 112.0° |
C07 | C06 | C05 | 103.3° | 103.9° |
C07 | C06 | C02 | 120.5° | 109.3° |
C07 | C06 | H20 | 109.6° | 112.9° |
C06 | C07 | H21 | 107.5° | 110.8° |
C06 | C05 | C04 | 108.9° | 106.3° |
C05 | C06 | C02 | 103.6° | 105.1° |
C06 | C05 | H19 | 109.1° | 111.5° |
C05 | C06 | H20 | 109.7° | 112.6° |
C05 | C04 | C03 | 100.2° | 103.2° |
C05 | C04 | H17 | 111.7° | 110.7° |
C05 | C04 | H18 | 111.7° | 110.8° |
C04 | C05 | H19 | 109.2° | 111.4° |
C06 | C02 | C01 | 112.7° | 109.8° |
C06 | C02 | C03 | 99.1° | 103.4° |
C06 | C02 | C81 | 114.6° | 116.6° |
C02 | C06 | H20 | 109.5° | 112.4° |
C04 | C03 | C02 | 103.2° | 101.7° |
C04 | C03 | C17 | 118.3° | 115.4° |
C04 | C03 | H16 | 106.5° | 111.2° |
C03 | C04 | H17 | 111.7° | 110.7° |
C03 | C04 | H18 | 111.7° | 110.6° |
C01 | C02 | C03 | 114.1° | 109.8° |
C01 | C02 | C81 | 109.4° | 109.8° |
C02 | C01 | H13 | 109.5° | 109.5° |
C02 | C01 | H14 | 109.5° | 109.5° |
C02 | C01 | H15 | 109.4° | 109.4° |
C03 | C02 | C81 | 106.7° | 107.1° |
C02 | C03 | C17 | 115.1° | 107.0° |
C02 | C03 | H16 | 106.4° | 110.6° |
C02 | C81 | C80 | 109.3° | 107.1° |
C02 | C81 | H49 | 109.5° | 109.9° |
C02 | C81 | H50 | 109.5° | 109.9° |
C03 | C17 | C18 | 110.5° | 109.5° |
C03 | C17 | C79 | 109.9° | 107.6° |
C03 | C17 | H6 | 109.0° | 111.1° |
C17 | C03 | H16 | 106.5° | 110.5° |
C81 | C80 | C79 | 113.1° | 111.7° |
C81 | C80 | H47 | 108.5° | 108.9° |
C81 | C80 | H48 | 108.6° | 109.2° |
C80 | C81 | H49 | 109.5° | 110.0° |
C80 | C81 | H50 | 109.5° | 109.9° |
C18 | C17 | C79 | 109.5° | 108.4° |
C17 | C18 | C19 | 111.9° | 109.2° |
C18 | C17 | H6 | 109.0° | 110.1° |
C17 | C18 | H30 | 108.9° | 109.5° |
C17 | C18 | H31 | 108.9° | 109.5° |
C17 | C79 | C80 | 111.9° | 111.8° |
C17 | C79 | C77 | 110.9° | 110.5° |
C79 | C17 | H6 | 108.9° | 110.2° |
C17 | C79 | H46 | 106.7° | 108.4° |
C80 | C79 | C77 | 113.7° | 109.6° |
C80 | C79 | H46 | 106.7° | 108.1° |
C79 | C80 | H47 | 108.5° | 109.1° |
C79 | C80 | H48 | 108.6° | 109.0° |
C18 | C19 | C20 | 124.0° | 123.1° |
C19 | C18 | H30 | 108.8° | 109.5° |
C19 | C18 | H31 | 108.8° | 109.5° |
C18 | C19 | H32 | 118.0° | 118.5° |
C79 | C77 | C20 | 111.0° | 113.3° |
C79 | C77 | C78 | 110.8° | 107.6° |
C79 | C77 | C76 | 108.7° | 109.9° |
C77 | C79 | H46 | 106.5° | 108.3° |
C19 | C20 | C77 | 122.8° | 123.9° |
C19 | C20 | C21 | 120.4° | 118.3° |
C20 | C19 | H32 | 118.0° | 118.5° |
C20 | C77 | C78 | 108.8° | 108.2° |
C20 | C77 | C76 | 107.5° | 109.5° |
C77 | C20 | C21 | 116.5° | 117.8° |
C78 | C77 | C76 | 110.0° | 108.2° |
C77 | C78 | H43 | 109.5° | 109.5° |
C77 | C78 | H44 | 109.4° | 109.4° |
C77 | C78 | H45 | 109.5° | 109.4° |
C77 | C76 | C75 | 114.0° | 109.4° |
C77 | C76 | H41 | 108.3° | 109.5° |
C77 | C76 | H42 | 108.3° | 109.5° |
C20 | C21 | C22 | 111.1° | 108.3° |
C20 | C21 | H7 | 109.1° | 109.7° |
C20 | C21 | H8 | 109.1° | 109.7° |
C76 | C75 | C22 | 110.2° | 109.7° |
C76 | C75 | H39 | 109.3° | 109.4° |
C76 | C75 | H40 | 109.3° | 109.4° |
C75 | C76 | H41 | 108.3° | 109.5° |
C75 | C76 | H42 | 108.3° | 109.5° |
C21 | C22 | C75 | 109.0° | 109.5° |
C21 | C22 | O23 | 108.2° | 109.5° |
C22 | C21 | H7 | 109.1° | 109.7° |
C22 | C21 | H8 | 109.1° | 109.7° |
C21 | C22 | H9 | 108.7° | 109.4° |
C75 | C22 | O23 | 111.7° | 109.5° |
C75 | C22 | H9 | 108.7° | 109.5° |
C22 | C75 | H39 | 109.3° | 109.4° |
C22 | C75 | H40 | 109.3° | 109.4° |
C22 | O23 | C24 | 113.3° | 114.0° |
O23 | C22 | H9 | 110.5° | 109.5° |
O23 | C24 | C25 | 109.2° | 109.5° |
O23 | C24 | H10 | 109.5° | 109.5° |
O23 | C24 | H11 | 109.5° | 109.5° |
C24 | C25 | C26 | 114.4° | 109.5° |
C25 | C24 | H10 | 109.6° | 109.5° |
C25 | C24 | H11 | 109.6° | 109.5° |
C24 | C25 | H33 | 108.2° | 109.5° |
C24 | C25 | H34 | 108.2° | 109.5° |
C25 | C26 | C27 | 110.0° | 109.5° |
C25 | C26 | C51 | 117.5° | 109.4° |
C25 | C26 | H12 | 103.3° | 109.4° |
C26 | C25 | H33 | 108.2° | 109.4° |
C26 | C25 | H34 | 108.2° | 109.5° |
C27 | C26 | C51 | 117.8° | 109.5° |
C26 | C27 | O28 | 107.3° | 109.5° |
C27 | C26 | H12 | 102.9° | 109.5° |
C26 | C27 | H35 | 110.0° | 109.5° |
C26 | C27 | H36 | 110.0° | 109.5° |
C26 | C51 | O52 | 113.2° | 109.4° |
C51 | C26 | H12 | 102.7° | 109.5° |
C26 | C51 | H37 | 108.5° | 109.4° |
C26 | C51 | H38 | 108.5° | 109.6° |
O28 | C27 | H35 | 110.0° | 109.4° |
O28 | C27 | H36 | 110.0° | 109.4° |
C27 | O28 | H51 | 109.5° | 114.0° |
O52 | C51 | H37 | 108.5° | 109.4° |
O52 | C51 | H38 | 108.5° | 109.5° |
C51 | O52 | H52 | 109.5° | 114.0° |
H1 | C13 | H2 | 109.5° | 109.5° |
H1 | C13 | H3 | 109.5° | 109.5° |
H2 | C13 | H3 | 109.5° | 109.5° |
H4 | C15 | H5 | 109.5° | 109.5° |
H7 | C21 | H8 | 109.4° | 109.6° |
H10 | C24 | H11 | 109.5° | 109.5° |
H13 | C01 | H14 | 109.5° | 109.5° |
H13 | C01 | H15 | 109.4° | 109.4° |
H14 | C01 | H15 | 109.5° | 109.5° |
H17 | C04 | H18 | 109.5° | 110.6° |
H22 | C08 | H23 | 109.5° | 109.5° |
H22 | C08 | H24 | 109.5° | 109.6° |
H23 | C08 | H24 | 109.5° | 109.5° |
H25 | C11 | H26 | 109.5° | 109.5° |
H28 | C14 | H29 | 109.5° | 109.6° |
H30 | C18 | H31 | 109.5° | 109.6° |
H33 | C25 | H34 | 109.5° | 109.5° |
H35 | C27 | H36 | 109.5° | 109.5° |
H37 | C51 | H38 | 109.5° | 109.5° |
H39 | C75 | H40 | 109.5° | 109.5° |
H41 | C76 | H42 | 109.5° | 109.5° |
H43 | C78 | H44 | 109.5° | 109.5° |
H43 | C78 | H45 | 109.5° | 109.5° |
H44 | C78 | H45 | 109.5° | 109.5° |
H47 | C80 | H48 | 109.5° | 109.0° |
H49 | C81 | H50 | 109.5° | 109.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | C11 | C14 | 125.7° | 119.9° |
C13 | C12 | C11 | H27 | 116.5° | 120.0° |
C13 | C12 | C14 | H27 | 117.1° | 120.1° |
C13 | C12 | C11 | O10 | 87.2° | 178.5° |
C13 | C12 | C14 | C15 | 138.8° | 177.3° |
C12 | C13 | H1 | H2 | 120.0° | 120.0° |
C12 | C13 | H1 | H3 | 120.0° | 120.0° |
C12 | C13 | H2 | H3 | 120.0° | 119.9° |
C13 | C12 | C11 | H25 | 152.4° | 61.6° |
C13 | C12 | C11 | H26 | 33.3° | 58.5° |
C13 | C12 | C14 | H28 | 18.4° | 62.9° |
C13 | C12 | C14 | H29 | 100.8° | 57.4° |
C11 | C12 | C14 | H27 | 117.9° | 120.0° |
C12 | C11 | O10 | H25 | 120.5° | 119.9° |
C12 | C11 | O10 | H26 | 120.5° | 120.0° |
C11 | C12 | C14 | C15 | 13.8° | 57.3° |
C12 | C11 | O10 | C09 | 54.6° | 60.4° |
C11 | C12 | C13 | H1 | 180.0° | 60.0° |
C11 | C12 | C13 | H2 | 60.0° | 180.0° |
C11 | C12 | C13 | H3 | 60.0° | 60.0° |
C12 | C11 | H25 | H26 | 118.5° | 120.1° |
C11 | C12 | C14 | H28 | 106.6° | 177.2° |
C11 | C12 | C14 | H29 | 134.3° | 62.5° |
C14 | C12 | C11 | O10 | 38.5° | 58.5° |
C12 | C14 | C15 | H28 | 120.4° | 119.9° |
C12 | C14 | C15 | H29 | 120.4° | 119.9° |
C12 | C14 | C15 | C09 | 52.5° | 55.4° |
C14 | C12 | C13 | H1 | 53.6° | 179.8° |
C14 | C12 | C13 | H2 | 66.4° | 60.2° |
C14 | C12 | C13 | H3 | 173.6° | 59.8° |
C12 | C14 | C15 | H4 | 172.6° | 64.6° |
C12 | C14 | C15 | H5 | 67.6° | 175.3° |
C14 | C12 | C11 | H25 | 82.0° | 178.5° |
C14 | C12 | C11 | H26 | 159.0° | 61.5° |
C12 | C14 | H28 | H29 | 118.7° | 120.3° |
C11 | O10 | C09 | C15 | 12.9° | 59.4° |
C11 | O10 | C09 | O16 | 130.6° | 63.9° |
C11 | O10 | C09 | C07 | 117.9° | 178.2° |
O10 | C11 | H25 | H26 | 118.6° | 120.2° |
O10 | C11 | C12 | H27 | 156.4° | 61.5° |
C14 | C15 | C09 | O10 | 40.9° | 55.5° |
C14 | C15 | C09 | H4 | 120.1° | 120.0° |
C14 | C15 | C09 | H5 | 120.1° | 120.0° |
C14 | C15 | C09 | O16 | 74.7° | 67.6° |
C14 | C15 | C09 | C07 | 171.8° | 177.7° |
C14 | C15 | H4 | H5 | 119.7° | 120.1° |
C15 | C14 | C12 | H27 | 104.1° | 62.7° |
C15 | C14 | H28 | H29 | 118.6° | 120.1° |
O10 | C09 | C15 | O16 | 115.6° | 123.1° |
O10 | C09 | C15 | C07 | 130.9° | 122.2° |
O10 | C09 | O16 | C07 | 118.1° | 117.9° |
O10 | C09 | C07 | C08 | 43.8° | 37.1° |
O10 | C09 | O16 | C05 | 75.4° | 76.8° |
O10 | C09 | C07 | C06 | 82.0° | 81.2° |
O10 | C09 | C15 | H4 | 160.9° | 64.5° |
O10 | C09 | C15 | H5 | 79.3° | 175.5° |
O10 | C09 | C07 | H21 | 164.5° | 160.7° |
C09 | O10 | C11 | H25 | 65.9° | 179.7° |
C09 | O10 | C11 | H26 | 175.0° | 59.6° |
C15 | C09 | O16 | C07 | 119.4° | 118.5° |
C15 | C09 | C07 | C08 | 88.1° | 85.9° |
C15 | C09 | O16 | C05 | 162.2° | 159.6° |
C15 | C09 | C07 | C06 | 146.1° | 155.8° |
C09 | C15 | H4 | H5 | 119.7° | 120.0° |
C15 | C09 | C07 | H21 | 32.6° | 37.7° |
C09 | C15 | C14 | H28 | 67.9° | 175.3° |
C09 | C15 | C14 | H29 | 173.0° | 64.5° |
O16 | C09 | C07 | C08 | 155.7° | 155.2° |
O16 | C09 | C07 | C06 | 29.9° | 37.0° |
C09 | O16 | C05 | C06 | 37.7° | 28.0° |
C09 | O16 | C05 | C04 | 156.5° | 142.2° |
O16 | C09 | C15 | H4 | 45.3° | 172.4° |
O16 | C09 | C15 | H5 | 165.1° | 52.4° |
C09 | O16 | C05 | H19 | 80.6° | 94.4° |
O16 | C09 | C07 | H21 | 83.6° | 81.2° |
C09 | C07 | C08 | C06 | 120.2° | 112.9° |
C09 | C07 | C08 | H21 | 120.7° | 123.6° |
C07 | C09 | O16 | C05 | 42.8° | 41.1° |
C09 | C07 | C06 | H21 | 113.6° | 118.2° |
C09 | C07 | C06 | C05 | 8.1° | 19.6° |
C09 | C07 | C06 | C02 | 122.9° | 131.4° |
C07 | C09 | C15 | H4 | 68.2° | 57.8° |
C07 | C09 | C15 | H5 | 51.7° | 62.2° |
C09 | C07 | C06 | H20 | 108.7° | 102.7° |
C09 | C07 | C08 | H22 | 180.0° | 172.9° |
C09 | C07 | C08 | H23 | 60.0° | 67.1° |
C09 | C07 | C08 | H24 | 60.0° | 52.8° |
C08 | C07 | C06 | H21 | 119.0° | 123.4° |
C08 | C07 | C06 | C05 | 135.5° | 138.0° |
C08 | C07 | C06 | C02 | 109.7° | 110.2° |
C08 | C07 | C06 | H20 | 18.7° | 15.7° |
C07 | C08 | H22 | H23 | 120.0° | 119.9° |
C07 | C08 | H22 | H24 | 120.0° | 120.0° |
C07 | C08 | H23 | H24 | 120.0° | 119.9° |
O16 | C05 | C06 | C07 | 16.6° | 3.7° |
O16 | C05 | C06 | C04 | 121.2° | 115.8° |
O16 | C05 | C06 | H19 | 119.7° | 122.6° |
O16 | C05 | C04 | H19 | 123.9° | 123.8° |
O16 | C05 | C06 | C02 | 109.8° | 111.1° |
O16 | C05 | C04 | C03 | 136.0° | 137.4° |
O16 | C05 | C04 | H17 | 105.5° | 19.0° |
O16 | C05 | C04 | H18 | 17.6° | 104.1° |
O16 | C05 | C06 | H20 | 133.4° | 126.3° |
C07 | C06 | C05 | C02 | 126.4° | 114.8° |
C07 | C06 | C05 | H20 | 116.8° | 122.5° |
C07 | C06 | C05 | C04 | 137.8° | 119.5° |
C07 | C06 | C02 | H20 | 128.5° | 126.2° |
C07 | C06 | C02 | C01 | 30.2° | 24.0° |
C07 | C06 | C02 | C03 | 151.2° | 141.1° |
C07 | C06 | C02 | C81 | 95.7° | 101.7° |
C07 | C06 | C05 | H19 | 103.1° | 118.9° |
C06 | C07 | C08 | H22 | 59.8° | 60.0° |
C06 | C07 | C08 | H23 | 179.8° | 180.0° |
C06 | C07 | C08 | H24 | 60.2° | 60.1° |
C06 | C05 | C04 | H19 | 119.1° | 121.7° |
C05 | C06 | C02 | H20 | 116.9° | 122.8° |
C06 | C05 | C04 | C03 | 19.1° | 22.8° |
C05 | C06 | C02 | C01 | 84.4° | 87.0° |
C05 | C06 | C02 | C03 | 36.6° | 30.1° |
C05 | C06 | C02 | C81 | 149.7° | 147.3° |
C06 | C05 | C04 | H17 | 137.5° | 95.6° |
C06 | C05 | C04 | H18 | 99.4° | 141.3° |
C05 | C06 | C07 | H21 | 105.5° | 98.5° |
C04 | C05 | C06 | C02 | 11.4° | 4.7° |
C05 | C04 | C03 | H17 | 118.5° | 118.4° |
C05 | C04 | C03 | H18 | 118.5° | 118.6° |
C05 | C04 | C03 | C02 | 42.8° | 41.0° |
C05 | C04 | C03 | C17 | 171.2° | 156.4° |
C05 | C04 | C03 | H16 | 69.0° | 76.7° |
C05 | C04 | H17 | H18 | 124.3° | 123.2° |
C04 | C05 | C06 | H20 | 105.5° | 118.0° |
C06 | C02 | C03 | C04 | 50.2° | 44.6° |
C06 | C02 | C01 | C03 | 112.0° | 113.0° |
C06 | C02 | C01 | C81 | 128.7° | 129.4° |
C06 | C02 | C03 | C81 | 119.2° | 123.7° |
C06 | C02 | C03 | C17 | 179.4° | 166.0° |
C06 | C02 | C81 | C80 | 168.6° | 179.8° |
C06 | C02 | C01 | H13 | 180.0° | 46.5° |
C06 | C02 | C01 | H14 | 60.0° | 73.6° |
C06 | C02 | C01 | H15 | 60.0° | 166.4° |
C06 | C02 | C03 | H16 | 61.7° | 73.6° |
C02 | C06 | C05 | H19 | 130.5° | 126.3° |
C02 | C06 | C07 | H21 | 9.3° | 13.3° |
C06 | C02 | C81 | H49 | 71.4° | 60.4° |
C06 | C02 | C81 | H50 | 48.6° | 60.8° |
C04 | C03 | C02 | C01 | 69.8° | 72.5° |
C04 | C03 | C02 | C17 | 130.4° | 121.4° |
C04 | C03 | C02 | H16 | 112.0° | 118.2° |
C04 | C03 | C02 | C81 | 169.4° | 168.3° |
C04 | C03 | C17 | H16 | 119.8° | 127.2° |
C04 | C03 | C17 | C18 | 62.5° | 65.9° |
C04 | C03 | C17 | C79 | 176.6° | 176.5° |
C04 | C03 | C17 | H6 | 57.3° | 55.8° |
C03 | C04 | H17 | H18 | 124.3° | 123.0° |
C03 | C04 | C05 | H19 | 100.0° | 98.8° |
C01 | C02 | C03 | C81 | 120.8° | 119.2° |
C01 | C02 | C03 | C17 | 60.6° | 48.9° |
C01 | C02 | C81 | C80 | 63.7° | 54.2° |
C02 | C01 | H13 | H14 | 120.0° | 120.0° |
C02 | C01 | H13 | H15 | 120.0° | 120.0° |
C02 | C01 | H14 | H15 | 120.0° | 120.0° |
C01 | C02 | C03 | H16 | 178.3° | 169.3° |
C01 | C02 | C06 | H20 | 158.6° | 150.2° |
C01 | C02 | C81 | H49 | 56.3° | 65.2° |
C01 | C02 | C81 | H50 | 176.3° | 173.6° |
C02 | C03 | C17 | H16 | 117.6° | 120.4° |
C03 | C02 | C81 | C80 | 60.1° | 65.0° |
C02 | C03 | C17 | C18 | 174.9° | 178.3° |
C02 | C03 | C17 | C79 | 54.0° | 64.1° |
C02 | C03 | C17 | H6 | 65.3° | 56.5° |
C03 | C02 | C01 | H13 | 68.0° | 66.5° |
C03 | C02 | C01 | H14 | 52.0° | 173.4° |
C03 | C02 | C01 | H15 | 172.0° | 53.4° |
C02 | C03 | C04 | H17 | 161.3° | 77.4° |
C02 | C03 | C04 | H18 | 75.7° | 159.6° |
C03 | C02 | C06 | H20 | 80.4° | 92.7° |
C03 | C02 | C81 | H49 | 179.9° | 175.5° |
C03 | C02 | C81 | H50 | 59.9° | 54.4° |
C81 | C02 | C03 | C17 | 60.3° | 70.3° |
C02 | C81 | C80 | H49 | 120.0° | 119.4° |
C02 | C81 | C80 | H50 | 120.0° | 119.4° |
C02 | C81 | C80 | C79 | 59.5° | 57.5° |
C81 | C02 | C01 | H13 | 51.3° | 175.9° |
C81 | C02 | C01 | H14 | 171.3° | 55.8° |
C81 | C02 | C01 | H15 | 68.7° | 64.1° |
C81 | C02 | C03 | H16 | 57.4° | 50.1° |
C81 | C02 | C06 | H20 | 32.7° | 24.6° |
C02 | C81 | C80 | H47 | 61.0° | 178.0° |
C02 | C81 | C80 | H48 | 179.9° | 63.1° |
C02 | C81 | H49 | H50 | 120.1° | 121.2° |
C03 | C17 | C18 | C79 | 121.2° | 117.1° |
C03 | C17 | C18 | H6 | 119.8° | 122.3° |
C03 | C17 | C79 | H6 | 119.4° | 121.2° |
C03 | C17 | C79 | C80 | 47.7° | 56.8° |
C03 | C17 | C18 | C19 | 168.7° | 172.9° |
C03 | C17 | C79 | C77 | 175.8° | 179.1° |
C17 | C03 | C04 | H17 | 70.3° | 38.0° |
C17 | C03 | C04 | H18 | 52.7° | 85.0° |
C03 | C17 | C18 | H30 | 48.3° | 53.0° |
C03 | C17 | C18 | H31 | 71.0° | 67.2° |
C03 | C17 | C79 | H46 | 68.6° | 62.2° |
C81 | C80 | C79 | C17 | 52.7° | 54.0° |
C81 | C80 | C79 | H47 | 120.5° | 120.4° |
C81 | C80 | C79 | H48 | 120.6° | 120.7° |
C81 | C80 | C79 | C77 | 179.3° | 176.9° |
C81 | C80 | C79 | H46 | 63.6° | 65.2° |
C81 | C80 | H47 | H48 | 118.3° | 119.0° |
C80 | C81 | H49 | H50 | 120.1° | 121.2° |
C18 | C17 | C79 | H6 | 119.1° | 120.5° |
C18 | C17 | C79 | C80 | 169.3° | 175.1° |
C17 | C18 | C19 | H30 | 120.4° | 119.9° |
C17 | C18 | C19 | H31 | 120.4° | 119.9° |
C18 | C17 | C79 | C77 | 62.6° | 62.5° |
C17 | C18 | C19 | C20 | 19.3° | 26.4° |
C18 | C17 | C03 | H16 | 57.3° | 61.3° |
C17 | C18 | H30 | H31 | 118.9° | 120.2° |
C17 | C18 | C19 | H32 | 160.7° | 153.7° |
C18 | C17 | C79 | H46 | 53.0° | 56.1° |
C17 | C79 | C80 | C77 | 126.6° | 122.9° |
C17 | C79 | C80 | H46 | 116.3° | 119.2° |
C79 | C17 | C18 | C19 | 47.4° | 55.8° |
C17 | C79 | C77 | H46 | 115.7° | 118.7° |
C17 | C79 | C77 | C20 | 46.2° | 36.7° |
C17 | C79 | C77 | C78 | 74.8° | 82.9° |
C17 | C79 | C77 | C76 | 164.2° | 159.6° |
C79 | C17 | C03 | H16 | 63.7° | 56.3° |
C79 | C17 | C18 | H30 | 72.9° | 64.1° |
C79 | C17 | C18 | H31 | 167.8° | 175.7° |
C17 | C79 | C80 | H47 | 67.8° | 174.4° |
C17 | C79 | C80 | H48 | 173.3° | 66.7° |
C80 | C79 | C77 | H46 | 117.2° | 117.7° |
C80 | C79 | C77 | C20 | 173.3° | 160.3° |
C80 | C79 | C77 | C78 | 52.3° | 40.7° |
C80 | C79 | C77 | C76 | 68.6° | 76.8° |
C80 | C79 | C17 | H6 | 71.6° | 64.4° |
C79 | C80 | H47 | H48 | 118.3° | 118.9° |
C79 | C80 | C81 | H49 | 179.5° | 176.9° |
C79 | C80 | C81 | H50 | 60.4° | 61.9° |
C18 | C19 | C20 | H32 | 180.0° | 179.9° |
C18 | C19 | C20 | C77 | 4.0° | 0.7° |
C18 | C19 | C20 | C21 | 177.8° | 179.4° |
C19 | C18 | C17 | H6 | 71.6° | 64.7° |
C19 | C18 | H30 | H31 | 118.9° | 120.1° |
C79 | C77 | C20 | C19 | 17.4° | 5.9° |
C79 | C77 | C20 | C78 | 122.2° | 119.3° |
C79 | C77 | C20 | C76 | 118.8° | 123.1° |
C79 | C77 | C78 | C76 | 120.2° | 118.7° |
C79 | C77 | C20 | C21 | 168.6° | 174.2° |
C79 | C77 | C76 | C75 | 171.7° | 179.3° |
C77 | C79 | C17 | H6 | 56.5° | 57.9° |
C79 | C77 | C76 | H41 | 67.7° | 59.3° |
C79 | C77 | C76 | H42 | 51.0° | 60.8° |
C79 | C77 | C78 | H43 | 180.0° | 55.3° |
C79 | C77 | C78 | H44 | 60.0° | 64.8° |
C79 | C77 | C78 | H45 | 60.0° | 175.3° |
C77 | C79 | C80 | H47 | 58.8° | 62.7° |
C77 | C79 | C80 | H48 | 60.1° | 56.2° |
C19 | C20 | C77 | C21 | 174.1° | 179.9° |
C19 | C20 | C77 | C78 | 104.8° | 113.4° |
C19 | C20 | C77 | C76 | 136.2° | 128.9° |
C19 | C20 | C21 | C22 | 131.4° | 128.5° |
C19 | C20 | C21 | H7 | 11.1° | 8.7° |
C19 | C20 | C21 | H8 | 108.3° | 111.8° |
C20 | C19 | C18 | H30 | 101.0° | 93.5° |
C20 | C19 | C18 | H31 | 139.7° | 146.3° |
C20 | C77 | C78 | C76 | 117.5° | 118.5° |
C20 | C77 | C76 | C75 | 51.4° | 54.2° |
C77 | C20 | C21 | C22 | 54.4° | 51.6° |
C77 | C20 | C21 | H7 | 174.7° | 171.4° |
C77 | C20 | C21 | H8 | 65.9° | 68.1° |
C77 | C20 | C19 | H32 | 176.0° | 179.4° |
C20 | C77 | C76 | H41 | 172.1° | 65.8° |
C20 | C77 | C76 | H42 | 69.2° | 174.1° |
C20 | C77 | C78 | H43 | 57.7° | 67.6° |
C20 | C77 | C78 | H44 | 62.3° | 172.4° |
C20 | C77 | C78 | H45 | 177.7° | 52.5° |
C20 | C77 | C79 | H46 | 69.5° | 81.9° |
C78 | C77 | C20 | C21 | 69.2° | 66.5° |
C78 | C77 | C76 | C75 | 66.8° | 63.5° |
C78 | C77 | C76 | H41 | 53.8° | 176.5° |
C78 | C77 | C76 | H42 | 172.5° | 56.5° |
C77 | C78 | H43 | H44 | 120.0° | 120.0° |
C77 | C78 | H43 | H45 | 120.0° | 120.0° |
C77 | C78 | H44 | H45 | 120.0° | 119.9° |
C78 | C77 | C79 | H46 | 169.5° | 158.5° |
C76 | C77 | C20 | C21 | 49.8° | 51.2° |
C77 | C76 | C75 | H41 | 120.6° | 120.0° |
C77 | C76 | C75 | H42 | 120.7° | 120.0° |
C77 | C76 | C75 | C22 | 58.7° | 62.7° |
C77 | C76 | C75 | H39 | 61.5° | 177.2° |
C77 | C76 | C75 | H40 | 178.8° | 57.3° |
C77 | C76 | H41 | H42 | 118.0° | 120.1° |
C76 | C77 | C78 | H43 | 59.8° | 173.9° |
C76 | C77 | C78 | H44 | 179.8° | 53.9° |
C76 | C77 | C78 | H45 | 60.3° | 66.0° |
C76 | C77 | C79 | H46 | 48.6° | 40.9° |
C20 | C21 | C22 | H7 | 120.3° | 119.8° |
C20 | C21 | C22 | H8 | 120.2° | 119.7° |
C20 | C21 | C22 | C75 | 56.3° | 55.4° |
C20 | C21 | C22 | O23 | 177.8° | 175.4° |
C20 | C21 | H7 | H8 | 119.2° | 120.5° |
C20 | C21 | C22 | H9 | 62.1° | 64.7° |
C21 | C20 | C19 | H32 | 2.2° | 0.5° |
C76 | C75 | C22 | C21 | 58.8° | 63.8° |
C76 | C75 | C22 | H39 | 120.1° | 120.1° |
C76 | C75 | C22 | H40 | 120.1° | 120.0° |
C76 | C75 | C22 | O23 | 178.2° | 176.2° |
C76 | C75 | C22 | H9 | 59.6° | 56.2° |
C76 | C75 | H39 | H40 | 119.6° | 119.8° |
C75 | C76 | H41 | H42 | 118.0° | 120.0° |
C21 | C22 | C75 | O23 | 119.4° | 120.0° |
C21 | C22 | C75 | H9 | 118.4° | 120.0° |
C21 | C22 | O23 | H9 | 118.9° | 119.9° |
C21 | C22 | O23 | C24 | 104.7° | 90.0° |
C22 | C21 | H7 | H8 | 119.3° | 120.5° |
C21 | C22 | C75 | H39 | 61.3° | 176.2° |
C21 | C22 | C75 | H40 | 178.9° | 56.2° |
C75 | C22 | O23 | H9 | 121.2° | 120.1° |
C75 | C22 | O23 | C24 | 135.5° | 150.0° |
C75 | C22 | C21 | H7 | 176.6° | 175.1° |
C75 | C22 | C21 | H8 | 64.0° | 64.4° |
C22 | C75 | H39 | H40 | 119.7° | 119.9° |
C22 | C75 | C76 | H41 | 179.3° | 57.3° |
C22 | C75 | C76 | H42 | 62.0° | 177.3° |
C22 | O23 | C24 | C25 | 174.5° | 180.0° |
O23 | C22 | C21 | H7 | 61.9° | 64.8° |
O23 | C22 | C21 | H8 | 57.6° | 55.6° |
C22 | O23 | C24 | H10 | 54.5° | 60.0° |
C22 | O23 | C24 | H11 | 65.6° | 60.0° |
O23 | C22 | C75 | H39 | 58.1° | 56.2° |
O23 | C22 | C75 | H40 | 61.7° | 63.8° |
O23 | C24 | C25 | H10 | 120.0° | 120.0° |
O23 | C24 | C25 | H11 | 119.9° | 120.0° |
O23 | C24 | C25 | C26 | 18.2° | 180.0° |
C24 | O23 | C22 | H9 | 14.3° | 30.0° |
O23 | C24 | H10 | H11 | 120.1° | 120.0° |
O23 | C24 | C25 | H33 | 102.5° | 60.0° |
O23 | C24 | C25 | H34 | 139.0° | 60.0° |
C24 | C25 | C26 | H33 | 120.7° | 120.0° |
C24 | C25 | C26 | H34 | 120.7° | 120.0° |
C24 | C25 | C26 | C27 | 82.7° | 65.0° |
C24 | C25 | C26 | C51 | 138.7° | 175.0° |
C25 | C24 | H10 | H11 | 120.2° | 120.0° |
C24 | C25 | C26 | H12 | 26.5° | 55.0° |
C24 | C25 | H33 | H34 | 117.8° | 120.0° |
C25 | C26 | C27 | C51 | 138.4° | 120.0° |
C25 | C26 | C27 | H12 | 109.6° | 120.0° |
C25 | C26 | C51 | H12 | 112.6° | 119.9° |
C25 | C26 | C27 | O28 | 82.3° | 175.0° |
C25 | C26 | C51 | O52 | 88.5° | 175.0° |
C26 | C25 | C24 | H10 | 138.2° | 60.0° |
C26 | C25 | C24 | H11 | 101.7° | 60.0° |
C26 | C25 | H33 | H34 | 117.7° | 120.0° |
C25 | C26 | C27 | H35 | 158.1° | 55.0° |
C25 | C26 | C27 | H36 | 37.4° | 65.0° |
C25 | C26 | C51 | H37 | 32.1° | 65.1° |
C25 | C26 | C51 | H38 | 151.0° | 55.0° |
C27 | C26 | C51 | H12 | 112.1° | 120.1° |
C26 | C27 | O28 | H35 | 119.6° | 120.0° |
C26 | C27 | O28 | H36 | 119.7° | 120.0° |
C27 | C26 | C51 | O52 | 46.8° | 65.0° |
C27 | C26 | C25 | H33 | 38.0° | 55.0° |
C27 | C26 | C25 | H34 | 156.5° | 175.0° |
C26 | C27 | H35 | H36 | 121.0° | 120.0° |
C27 | C26 | C51 | H37 | 167.4° | 54.9° |
C27 | C26 | C51 | H38 | 73.7° | 175.0° |
C26 | C27 | O28 | H51 | 180.0° | 180.0° |
C51 | C26 | C27 | O28 | 56.1° | 65.0° |
C26 | C51 | O52 | H37 | 120.6° | 119.9° |
C26 | C51 | O52 | H38 | 120.6° | 120.1° |
C51 | C26 | C25 | H33 | 100.5° | 65.0° |
C51 | C26 | C25 | H34 | 18.0° | 55.0° |
C51 | C26 | C27 | H35 | 63.5° | 175.0° |
C51 | C26 | C27 | H36 | 175.8° | 55.0° |
C26 | C51 | H37 | H38 | 118.3° | 120.1° |
C26 | C51 | O52 | H52 | 180.0° | 180.0° |
O28 | C27 | C26 | H12 | 168.2° | 55.0° |
O28 | C27 | H35 | H36 | 121.0° | 120.0° |
O52 | C51 | C26 | H12 | 159.0° | 55.1° |
O52 | C51 | H37 | H38 | 118.3° | 120.0° |
H1 | C13 | H2 | H3 | 120.0° | 120.0° |
H1 | C13 | C12 | H27 | 63.5° | 60.1° |
H2 | C13 | C12 | H27 | 176.5° | 60.0° |
H3 | C13 | C12 | H27 | 56.5° | 179.9° |
H4 | C15 | C14 | H28 | 52.2° | 55.4° |
H4 | C15 | C14 | H29 | 67.0° | 175.6° |
H5 | C15 | C14 | H28 | 172.0° | 64.7° |
H5 | C15 | C14 | H29 | 52.8° | 55.5° |
H6 | C17 | C03 | H16 | 177.1° | 177.0° |
H6 | C17 | C18 | H30 | 168.1° | 175.4° |
H6 | C17 | C18 | H31 | 48.8° | 55.2° |
H6 | C17 | C79 | H46 | 172.0° | 176.6° |
H7 | C21 | C22 | H9 | 58.2° | 55.1° |
H8 | C21 | C22 | H9 | 177.6° | 175.6° |
H9 | C22 | C75 | H39 | 179.7° | 63.9° |
H9 | C22 | C75 | H40 | 60.5° | 176.2° |
H10 | C24 | C25 | H33 | 17.5° | 60.0° |
H10 | C24 | C25 | H34 | 101.1° | 180.0° |
H11 | C24 | C25 | H33 | 137.6° | 180.0° |
H11 | C24 | C25 | H34 | 19.0° | 60.0° |
H12 | C26 | C25 | H33 | 147.2° | 175.0° |
H12 | C26 | C25 | H34 | 94.2° | 65.0° |
H12 | C26 | C27 | H35 | 48.5° | 65.0° |
H12 | C26 | C27 | H36 | 72.2° | 175.0° |
H12 | C26 | C51 | H37 | 80.5° | 175.0° |
H12 | C26 | C51 | H38 | 38.4° | 65.0° |
H13 | C01 | H14 | H15 | 120.0° | 120.0° |
H16 | C03 | C04 | H17 | 49.4° | 164.8° |
H16 | C03 | C04 | H18 | 172.5° | 41.9° |
H17 | C04 | C05 | H19 | 18.5° | 142.7° |
H18 | C04 | C05 | H19 | 141.5° | 19.6° |
H19 | C05 | C06 | H20 | 13.6° | 3.6° |
H20 | C06 | C07 | H21 | 137.7° | 139.2° |
H21 | C07 | C08 | H22 | 59.3° | 63.4° |
H21 | C07 | C08 | H23 | 60.8° | 56.5° |
H21 | C07 | C08 | H24 | 179.3° | 176.5° |
H22 | C08 | H23 | H24 | 120.0° | 120.1° |
H25 | C11 | C12 | H27 | 35.9° | 58.4° |
H26 | C11 | C12 | H27 | 83.1° | 178.5° |
H27 | C12 | C14 | H28 | 135.5° | 57.2° |
H27 | C12 | C14 | H29 | 16.3° | 177.5° |
H30 | C18 | C19 | H32 | 79.0° | 86.4° |
H31 | C18 | C19 | H32 | 40.3° | 33.8° |
H35 | C27 | O28 | H51 | 60.4° | 60.0° |
H36 | C27 | O28 | H51 | 60.4° | 60.0° |
H37 | C51 | O52 | H52 | 59.4° | 60.0° |
H38 | C51 | O52 | H52 | 59.4° | 60.0° |
H39 | C75 | C76 | H41 | 59.2° | 62.8° |
H39 | C75 | C76 | H42 | 177.9° | 57.3° |
H40 | C75 | C76 | H41 | 60.6° | 177.3° |
H40 | C75 | C76 | H42 | 58.1° | 62.6° |
H43 | C78 | H44 | H45 | 120.0° | 120.0° |
H46 | C79 | C80 | H47 | 175.9° | 55.2° |
H46 | C79 | C80 | H48 | 57.0° | 174.1° |
H47 | C80 | C81 | H49 | 59.0° | 62.6° |
H47 | C80 | C81 | H50 | 179.0° | 58.6° |
H48 | C80 | C81 | H49 | 59.9° | 56.3° |
H48 | C80 | C81 | H50 | 60.1° | 177.5° |