6KR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C56 | C57 | sing | 1.53Å | 1.54Å | |
C56 | C55 | sing | 1.53Å | 1.53Å | |
C57 | C60 | sing | 1.53Å | 1.53Å | |
C57 | C58 | sing | 1.53Å | 1.55Å | |
C60 | C53 | sing | 1.53Å | 1.52Å | |
C55 | C54 | sing | 1.53Å | 1.53Å | |
C55 | C59 | sing | 1.53Å | 1.52Å | |
C58 | C51 | sing | 1.53Å | 1.52Å | |
C54 | C53 | sing | 1.53Å | 1.52Å | |
C53 | C52 | sing | 1.53Å | 1.53Å | |
C59 | C51 | sing | 1.53Å | 1.52Å | |
C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
C51 | C52 | sing | 1.53Å | 1.52Å | |
C51 | C32 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
O39 | C2 | sing | 1.36Å | 1.36Å | |
O39 | C40 | sing | 1.43Å | 1.45Å | |
O9 | S8 | doub | 1.42Å | 1.46Å | |
C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.77Å | |
C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C32 | C19 | sing | 1.53Å | 1.52Å | |
S8 | O10 | doub | 1.42Å | 1.43Å | |
S8 | N11 | sing | 1.66Å | 1.68Å | |
C30 | C41 | sing | 1.53Å | 1.49Å | |
C30 | C29 | sing | 1.53Å | 1.51Å | |
C19 | N20 | sing | 1.47Å | 1.49Å | |
C19 | C17 | sing | 1.53Å | 1.53Å | |
N11 | C16 | sing | 1.47Å | 1.44Å | |
N11 | C12 | sing | 1.46Å | 1.50Å | |
C41 | C31 | sing | 1.53Å | 1.47Å | |
C29 | O28 | sing | 1.43Å | 1.46Å | |
C16 | C17 | sing | 1.53Å | 1.55Å | |
N20 | C21 | sing | 1.35Å | 1.33Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
O22 | C21 | doub | 1.21Å | 1.23Å | |
C21 | O23 | sing | 1.35Å | 1.38Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
O28 | C27 | sing | 1.41Å | 1.44Å | |
O23 | C24 | sing | 1.45Å | 1.43Å | |
C31 | C24 | sing | 1.55Å | 1.50Å | |
C31 | C27 | sing | 1.54Å | 1.52Å | |
C24 | C25 | sing | 1.54Å | 1.53Å | |
C27 | O26 | sing | 1.44Å | 1.41Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.52Å | |
O26 | C25 | sing | 1.44Å | 1.42Å | |
C12 | H1 | sing | 1.09Å | 1.10Å | |
C12 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.09Å | 1.10Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
C14 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C17 | H12 | sing | 1.09Å | 1.10Å | |
C19 | H13 | sing | 1.09Å | 1.10Å | |
C24 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C25 | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.08Å | 1.08Å | |
C4 | H18 | sing | 1.08Å | 1.08Å | |
C6 | H19 | sing | 1.08Å | 1.08Å | |
C7 | H20 | sing | 1.08Å | 1.08Å | |
O18 | H21 | sing | 0.97Å | 0.95Å | |
N20 | H22 | sing | 0.97Å | 1.00Å | |
C27 | H23 | sing | 1.09Å | 1.10Å | |
C29 | H24 | sing | 1.09Å | 1.10Å | |
C29 | H25 | sing | 1.09Å | 1.10Å | |
C30 | H26 | sing | 1.09Å | 1.10Å | |
C30 | H27 | sing | 1.09Å | 1.10Å | |
C41 | H28 | sing | 1.09Å | 1.10Å | |
C41 | H29 | sing | 1.09Å | 1.10Å | |
C31 | H30 | sing | 1.09Å | 1.10Å | |
C32 | H31 | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C52 | H33 | sing | 1.09Å | 1.10Å | |
C52 | H34 | sing | 1.09Å | 1.10Å | |
C53 | H35 | sing | 1.09Å | 1.10Å | |
C54 | H36 | sing | 1.09Å | 1.10Å | |
C54 | H37 | sing | 1.09Å | 1.10Å | |
C55 | H38 | sing | 1.09Å | 1.10Å | |
C56 | H39 | sing | 1.09Å | 1.10Å | |
C56 | H40 | sing | 1.09Å | 1.10Å | |
C57 | H41 | sing | 1.09Å | 1.10Å | |
C58 | H42 | sing | 1.09Å | 1.10Å | |
C58 | H43 | sing | 1.09Å | 1.10Å | |
C59 | H44 | sing | 1.09Å | 1.10Å | |
C59 | H45 | sing | 1.09Å | 1.10Å | |
C60 | H46 | sing | 1.09Å | 1.10Å | |
C60 | H47 | sing | 1.09Å | 1.10Å | |
C40 | H48 | sing | 1.09Å | 1.10Å | |
C40 | H49 | sing | 1.09Å | 1.10Å | |
C40 | H50 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C57 | C56 | C55 | 110.6° | 109.5° |
C56 | C57 | C60 | 108.6° | 109.5° |
C56 | C57 | C58 | 108.9° | 109.4° |
C57 | C56 | H39 | 109.2° | 109.5° |
C57 | C56 | H40 | 109.2° | 109.5° |
C56 | C57 | H41 | 110.3° | 109.5° |
C56 | C55 | C54 | 109.4° | 109.5° |
C56 | C55 | C59 | 107.1° | 109.4° |
C56 | C55 | H38 | 109.8° | 109.5° |
C55 | C56 | H39 | 109.2° | 109.5° |
C55 | C56 | H40 | 109.2° | 109.4° |
C60 | C57 | C58 | 108.0° | 109.5° |
C57 | C60 | C53 | 108.4° | 109.5° |
C60 | C57 | H41 | 110.6° | 109.5° |
C57 | C60 | H46 | 109.7° | 109.5° |
C57 | C60 | H47 | 109.8° | 109.5° |
C57 | C58 | C51 | 111.4° | 109.5° |
C58 | C57 | H41 | 110.3° | 109.4° |
C57 | C58 | H42 | 109.0° | 109.4° |
C57 | C58 | H43 | 109.0° | 109.5° |
C60 | C53 | C54 | 112.6° | 109.4° |
C60 | C53 | C52 | 110.1° | 109.5° |
C60 | C53 | H35 | 107.7° | 109.5° |
C53 | C60 | H46 | 109.8° | 109.5° |
C53 | C60 | H47 | 109.8° | 109.4° |
C54 | C55 | C59 | 110.7° | 109.5° |
C55 | C54 | C53 | 106.8° | 109.5° |
C55 | C54 | H36 | 110.2° | 109.5° |
C55 | C54 | H37 | 110.1° | 109.5° |
C54 | C55 | H38 | 109.9° | 109.5° |
C55 | C59 | C51 | 112.9° | 109.5° |
C59 | C55 | H38 | 109.9° | 109.5° |
C55 | C59 | H44 | 108.6° | 109.5° |
C55 | C59 | H45 | 108.6° | 109.5° |
C58 | C51 | C59 | 106.5° | 109.5° |
C58 | C51 | C52 | 108.8° | 109.5° |
C58 | C51 | C32 | 106.1° | 109.5° |
C51 | C58 | H42 | 109.0° | 109.5° |
C51 | C58 | H43 | 109.0° | 109.5° |
C54 | C53 | C52 | 110.9° | 109.5° |
C54 | C53 | H35 | 107.7° | 109.4° |
C53 | C54 | H36 | 110.1° | 109.4° |
C53 | C54 | H37 | 110.1° | 109.5° |
C53 | C52 | C51 | 109.1° | 109.5° |
C53 | C52 | H33 | 109.6° | 109.5° |
C53 | C52 | H34 | 109.6° | 109.5° |
C52 | C53 | H35 | 107.6° | 109.5° |
C59 | C51 | C52 | 109.0° | 109.5° |
C59 | C51 | C32 | 113.7° | 109.5° |
C51 | C59 | H44 | 108.6° | 109.5° |
C51 | C59 | H45 | 108.6° | 109.5° |
C4 | C3 | C2 | 121.0° | 119.9° |
C3 | C4 | C5 | 119.9° | 120.1° |
C4 | C3 | H17 | 119.5° | 120.1° |
C3 | C4 | H18 | 120.1° | 119.9° |
C3 | C2 | O39 | 115.5° | 120.0° |
C3 | C2 | C7 | 119.7° | 119.9° |
C2 | C3 | H17 | 119.5° | 120.0° |
C52 | C51 | C32 | 112.4° | 109.5° |
C51 | C52 | H33 | 109.6° | 109.5° |
C51 | C52 | H34 | 109.5° | 109.5° |
C51 | C32 | C19 | 119.5° | 109.5° |
C51 | C32 | H31 | 106.9° | 109.5° |
C51 | C32 | H32 | 106.9° | 109.4° |
C4 | C5 | C6 | 118.6° | 120.2° |
C4 | C5 | S8 | 122.5° | 119.9° |
C5 | C4 | H18 | 120.1° | 120.0° |
C2 | O39 | C40 | 114.5° | 117.0° |
O39 | C2 | C7 | 124.7° | 120.0° |
O39 | C40 | H48 | 109.5° | 109.5° |
O39 | C40 | H49 | 109.5° | 109.5° |
O39 | C40 | H50 | 109.5° | 109.5° |
O9 | S8 | C5 | 103.2° | 106.4° |
O9 | S8 | O10 | 118.9° | 123.1° |
O9 | S8 | N11 | 110.8° | 106.4° |
C2 | C7 | C6 | 117.6° | 120.0° |
C2 | C7 | H20 | 121.2° | 120.1° |
C6 | C5 | S8 | 118.6° | 119.9° |
C5 | C6 | C7 | 122.6° | 120.0° |
C5 | C6 | H19 | 118.7° | 120.0° |
C5 | S8 | O10 | 107.2° | 106.4° |
C5 | S8 | N11 | 114.0° | 107.2° |
C7 | C6 | H19 | 118.7° | 120.0° |
C6 | C7 | H20 | 121.2° | 120.0° |
C32 | C19 | N20 | 106.1° | 109.4° |
C32 | C19 | C17 | 115.6° | 109.5° |
C32 | C19 | H13 | 108.3° | 109.5° |
C19 | C32 | H31 | 106.9° | 109.5° |
C19 | C32 | H32 | 106.9° | 109.5° |
O10 | S8 | N11 | 103.1° | 106.4° |
S8 | N11 | C16 | 118.0° | 120.0° |
S8 | N11 | C12 | 114.1° | 120.0° |
C41 | C30 | C29 | 114.2° | 108.4° |
C30 | C41 | C31 | 115.0° | 110.2° |
C41 | C30 | H26 | 108.3° | 109.7° |
C41 | C30 | H27 | 108.3° | 109.7° |
C30 | C41 | H28 | 108.1° | 109.4° |
C30 | C41 | H29 | 108.1° | 109.3° |
C30 | C29 | O28 | 104.1° | 108.3° |
C30 | C29 | H24 | 110.8° | 109.7° |
C30 | C29 | H25 | 110.8° | 109.7° |
C29 | C30 | H26 | 108.3° | 109.6° |
C29 | C30 | H27 | 108.3° | 109.6° |
N20 | C19 | C17 | 109.8° | 109.5° |
C19 | N20 | C21 | 124.0° | 120.0° |
N20 | C19 | H13 | 108.7° | 109.5° |
C19 | N20 | H22 | 118.0° | 120.0° |
C19 | C17 | C16 | 114.7° | 109.5° |
C19 | C17 | O18 | 110.3° | 109.5° |
C19 | C17 | H12 | 108.5° | 109.5° |
C17 | C19 | H13 | 108.2° | 109.5° |
C16 | N11 | C12 | 111.3° | 120.0° |
N11 | C16 | C17 | 112.0° | 109.5° |
N11 | C16 | H10 | 108.8° | 109.4° |
N11 | C16 | H11 | 108.8° | 109.5° |
N11 | C12 | C13 | 110.8° | 109.5° |
N11 | C12 | H1 | 109.1° | 109.5° |
N11 | C12 | H2 | 109.1° | 109.5° |
C41 | C31 | C24 | 116.2° | 107.0° |
C41 | C31 | C27 | 114.4° | 110.2° |
C31 | C41 | H28 | 108.1° | 109.3° |
C31 | C41 | H29 | 108.1° | 109.3° |
C41 | C31 | H30 | 106.9° | 112.2° |
C29 | O28 | C27 | 109.6° | 116.3° |
O28 | C29 | H24 | 110.8° | 109.7° |
O28 | C29 | H25 | 110.8° | 109.7° |
C16 | C17 | O18 | 105.3° | 109.4° |
C17 | C16 | H10 | 108.8° | 109.5° |
C17 | C16 | H11 | 108.9° | 109.5° |
C16 | C17 | H12 | 108.3° | 109.5° |
N20 | C21 | O22 | 124.9° | 120.0° |
N20 | C21 | O23 | 111.6° | 120.0° |
C21 | N20 | H22 | 118.0° | 120.0° |
O18 | C17 | H12 | 109.7° | 109.5° |
C17 | O18 | H21 | 109.5° | 114.0° |
O22 | C21 | O23 | 123.5° | 120.0° |
C21 | O23 | C24 | 118.3° | 117.0° |
C12 | C13 | C14 | 110.4° | 109.5° |
C12 | C13 | C15 | 111.4° | 109.5° |
C13 | C12 | H1 | 109.1° | 109.4° |
C13 | C12 | H2 | 109.1° | 109.4° |
C12 | C13 | H3 | 108.8° | 109.5° |
O28 | C27 | C31 | 110.7° | 112.8° |
O28 | C27 | O26 | 104.7° | 112.7° |
O28 | C27 | H23 | 112.4° | 109.2° |
O23 | C24 | C31 | 111.4° | 110.7° |
O23 | C24 | C25 | 108.1° | 110.5° |
O23 | C24 | H14 | 113.4° | 110.5° |
C24 | C31 | C27 | 105.8° | 101.3° |
C31 | C24 | C25 | 98.8° | 104.1° |
C31 | C24 | H14 | 112.2° | 110.5° |
C24 | C31 | H30 | 106.6° | 112.5° |
C31 | C27 | O26 | 104.5° | 104.3° |
C31 | C27 | H23 | 111.1° | 108.5° |
C27 | C31 | H30 | 106.4° | 113.0° |
C24 | C25 | O26 | 107.2° | 107.3° |
C25 | C24 | H14 | 111.9° | 110.5° |
C24 | C25 | H15 | 110.0° | 109.9° |
C24 | C25 | H16 | 110.0° | 109.9° |
C27 | O26 | C25 | 110.6° | 106.4° |
O26 | C27 | H23 | 112.9° | 109.1° |
C14 | C13 | C15 | 108.1° | 109.5° |
C14 | C13 | H3 | 109.0° | 109.5° |
C13 | C14 | H4 | 109.5° | 109.5° |
C13 | C14 | H5 | 109.5° | 109.5° |
C13 | C14 | H6 | 109.5° | 109.5° |
C15 | C13 | H3 | 109.1° | 109.5° |
C13 | C15 | H7 | 109.5° | 109.4° |
C13 | C15 | H8 | 109.5° | 109.5° |
C13 | C15 | H9 | 109.5° | 109.5° |
O26 | C25 | H15 | 110.0° | 109.9° |
O26 | C25 | H16 | 110.0° | 110.0° |
H1 | C12 | H2 | 109.5° | 109.5° |
H4 | C14 | H5 | 109.5° | 109.4° |
H4 | C14 | H6 | 109.4° | 109.5° |
H5 | C14 | H6 | 109.5° | 109.5° |
H7 | C15 | H8 | 109.5° | 109.4° |
H7 | C15 | H9 | 109.4° | 109.4° |
H8 | C15 | H9 | 109.5° | 109.5° |
H10 | C16 | H11 | 109.5° | 109.5° |
H15 | C25 | H16 | 109.5° | 109.9° |
H24 | C29 | H25 | 109.5° | 109.7° |
H26 | C30 | H27 | 109.5° | 109.7° |
H28 | C41 | H29 | 109.5° | 109.3° |
H31 | C32 | H32 | 109.5° | 109.5° |
H33 | C52 | H34 | 109.5° | 109.4° |
H36 | C54 | H37 | 109.5° | 109.4° |
H39 | C56 | H40 | 109.5° | 109.5° |
H42 | C58 | H43 | 109.5° | 109.5° |
H44 | C59 | H45 | 109.4° | 109.4° |
H46 | C60 | H47 | 109.5° | 109.4° |
H48 | C40 | H49 | 109.4° | 109.4° |
H48 | C40 | H50 | 109.5° | 109.5° |
H49 | C40 | H50 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C57 | C56 | C55 | H39 | 120.2° | 120.0° |
C57 | C56 | C55 | H40 | 120.2° | 120.0° |
C56 | C57 | C60 | C58 | 118.0° | 120.0° |
C56 | C57 | C60 | H41 | 121.2° | 120.0° |
C56 | C57 | C58 | H41 | 121.2° | 120.0° |
C56 | C57 | C60 | C53 | 57.8° | 60.0° |
C57 | C56 | C55 | C54 | 61.2° | 60.0° |
C57 | C56 | C55 | C59 | 58.8° | 60.0° |
C56 | C57 | C58 | C51 | 58.3° | 60.0° |
C57 | C56 | C55 | H38 | 178.2° | 180.0° |
C57 | C56 | H39 | H40 | 119.5° | 120.0° |
C56 | C57 | C58 | H42 | 61.9° | 180.0° |
C56 | C57 | C58 | H43 | 178.6° | 60.0° |
C56 | C57 | C60 | H46 | 177.6° | 60.0° |
C56 | C57 | C60 | H47 | 62.1° | 180.0° |
C55 | C56 | C57 | C60 | 59.6° | 60.0° |
C55 | C56 | C57 | C58 | 57.9° | 60.0° |
C56 | C55 | C54 | C59 | 117.8° | 120.0° |
C56 | C55 | C54 | H38 | 120.6° | 120.0° |
C56 | C55 | C59 | H38 | 119.3° | 120.0° |
C56 | C55 | C54 | C53 | 59.8° | 60.0° |
C56 | C55 | C59 | C51 | 62.4° | 60.0° |
C56 | C55 | C54 | H36 | 59.8° | 180.0° |
C56 | C55 | C54 | H37 | 179.3° | 60.0° |
C55 | C56 | H39 | H40 | 119.5° | 120.0° |
C55 | C56 | C57 | H41 | 179.0° | 180.0° |
C56 | C55 | C59 | H44 | 177.1° | 60.0° |
C56 | C55 | C59 | H45 | 58.1° | 180.0° |
C60 | C57 | C58 | H41 | 121.0° | 120.0° |
C57 | C60 | C53 | H46 | 119.8° | 120.1° |
C57 | C60 | C53 | H47 | 119.8° | 120.0° |
C60 | C57 | C58 | C51 | 59.5° | 60.0° |
C57 | C60 | C53 | C54 | 61.2° | 60.0° |
C57 | C60 | C53 | C52 | 63.1° | 60.0° |
C57 | C60 | C53 | H35 | 179.8° | 179.9° |
C60 | C57 | C56 | H39 | 60.6° | 180.0° |
C60 | C57 | C56 | H40 | 179.7° | 60.0° |
C60 | C57 | C58 | H42 | 179.8° | 60.0° |
C60 | C57 | C58 | H43 | 60.8° | 180.0° |
C57 | C60 | H46 | H47 | 120.5° | 120.0° |
C58 | C57 | C60 | C53 | 60.2° | 60.0° |
C57 | C58 | C51 | H42 | 120.3° | 119.9° |
C57 | C58 | C51 | H43 | 120.3° | 120.0° |
C57 | C58 | C51 | C59 | 58.8° | 60.0° |
C57 | C58 | C51 | C52 | 58.6° | 60.0° |
C57 | C58 | C51 | C32 | 179.7° | 180.0° |
C58 | C57 | C56 | H39 | 178.0° | 60.0° |
C58 | C57 | C56 | H40 | 62.3° | 180.0° |
C57 | C58 | H42 | H43 | 119.1° | 120.0° |
C58 | C57 | C60 | H46 | 59.6° | 180.0° |
C58 | C57 | C60 | H47 | 179.9° | 60.0° |
C60 | C53 | C54 | C55 | 61.4° | 60.0° |
C60 | C53 | C54 | C52 | 123.9° | 120.0° |
C60 | C53 | C54 | H35 | 118.6° | 120.0° |
C60 | C53 | C52 | H35 | 117.1° | 120.1° |
C60 | C53 | C52 | C51 | 62.2° | 60.0° |
C60 | C53 | C52 | H33 | 57.8° | 180.0° |
C60 | C53 | C52 | H34 | 177.9° | 60.0° |
C60 | C53 | C54 | H36 | 58.2° | 180.0° |
C60 | C53 | C54 | H37 | 179.0° | 60.0° |
C53 | C60 | C57 | H41 | 179.0° | 179.9° |
C53 | C60 | H46 | H47 | 120.5° | 119.9° |
C54 | C55 | C59 | H38 | 121.5° | 120.0° |
C55 | C54 | C53 | H36 | 119.6° | 120.0° |
C55 | C54 | C53 | H37 | 119.6° | 120.1° |
C55 | C54 | C53 | C52 | 62.5° | 59.9° |
C54 | C55 | C59 | C51 | 56.8° | 60.0° |
C55 | C54 | C53 | H35 | 180.0° | 180.0° |
C55 | C54 | H36 | H37 | 121.2° | 120.0° |
C54 | C55 | C56 | H39 | 59.0° | 180.0° |
C54 | C55 | C56 | H40 | 178.7° | 60.0° |
C54 | C55 | C59 | H44 | 63.7° | 180.0° |
C54 | C55 | C59 | H45 | 177.3° | 60.0° |
C55 | C59 | C51 | C58 | 62.0° | 60.0° |
C59 | C55 | C54 | C53 | 58.1° | 59.9° |
C55 | C59 | C51 | H44 | 120.5° | 120.0° |
C55 | C59 | C51 | H45 | 120.5° | 120.0° |
C55 | C59 | C51 | C52 | 55.3° | 60.0° |
C55 | C59 | C51 | C32 | 178.6° | 180.0° |
C59 | C55 | C54 | H36 | 177.7° | 60.0° |
C59 | C55 | C54 | H37 | 61.5° | 180.0° |
C59 | C55 | C56 | H39 | 179.0° | 60.0° |
C59 | C55 | C56 | H40 | 61.3° | 180.0° |
C55 | C59 | H44 | H45 | 118.4° | 120.0° |
C58 | C51 | C52 | C53 | 58.7° | 60.0° |
C58 | C51 | C59 | C52 | 117.3° | 120.0° |
C58 | C51 | C59 | C32 | 116.5° | 120.0° |
C58 | C51 | C52 | C32 | 117.2° | 120.0° |
C58 | C51 | C32 | C19 | 154.5° | 61.2° |
C58 | C51 | C32 | H31 | 33.1° | 178.8° |
C58 | C51 | C32 | H32 | 84.0° | 58.8° |
C58 | C51 | C52 | H33 | 61.2° | 180.0° |
C58 | C51 | C52 | H34 | 178.7° | 60.0° |
C51 | C58 | C57 | H41 | 179.6° | 180.0° |
C51 | C58 | H42 | H43 | 119.1° | 120.1° |
C58 | C51 | C59 | H44 | 177.5° | 60.0° |
C58 | C51 | C59 | H45 | 58.5° | 179.9° |
C54 | C53 | C52 | H35 | 117.5° | 120.0° |
C54 | C53 | C52 | C51 | 63.2° | 60.0° |
C54 | C53 | C52 | H33 | 176.9° | 60.1° |
C54 | C53 | C52 | H34 | 56.8° | 180.0° |
C53 | C54 | H36 | H37 | 121.2° | 120.0° |
C53 | C54 | C55 | H38 | 179.6° | 180.0° |
C54 | C53 | C60 | H46 | 179.0° | 60.1° |
C54 | C53 | C60 | H47 | 58.6° | 180.0° |
C53 | C52 | C51 | C59 | 57.1° | 60.0° |
C53 | C52 | C51 | H33 | 120.0° | 120.0° |
C53 | C52 | C51 | H34 | 120.0° | 120.0° |
C53 | C52 | C51 | C32 | 176.0° | 180.0° |
C53 | C52 | H33 | H34 | 120.2° | 120.0° |
C52 | C53 | C54 | H36 | 177.9° | 60.0° |
C52 | C53 | C54 | H37 | 57.1° | 180.0° |
C52 | C53 | C60 | H46 | 56.7° | 180.0° |
C52 | C53 | C60 | H47 | 177.0° | 60.0° |
C59 | C51 | C52 | C32 | 126.9° | 120.0° |
C59 | C51 | C32 | C19 | 37.8° | 58.8° |
C59 | C51 | C32 | H31 | 83.6° | 61.2° |
C59 | C51 | C32 | H32 | 159.2° | 178.8° |
C59 | C51 | C52 | H33 | 177.0° | 60.0° |
C59 | C51 | C52 | H34 | 62.9° | 180.0° |
C51 | C59 | C55 | H38 | 178.3° | 180.0° |
C59 | C51 | C58 | H42 | 61.5° | 179.9° |
C59 | C51 | C58 | H43 | 179.1° | 60.0° |
C51 | C59 | H44 | H45 | 118.4° | 120.0° |
C4 | C3 | C2 | H17 | 180.0° | 179.9° |
C3 | C4 | C5 | H18 | 180.0° | 179.9° |
C4 | C3 | C2 | O39 | 174.5° | 179.8° |
C4 | C3 | C2 | C7 | 6.2° | 0.0° |
C3 | C4 | C5 | C6 | 1.6° | 0.1° |
C3 | C4 | C5 | S8 | 172.1° | 180.0° |
C2 | C3 | C4 | C5 | 0.5° | 0.1° |
C3 | C2 | O39 | C7 | 179.3° | 179.8° |
C3 | C2 | O39 | C40 | 177.0° | 0.2° |
C3 | C2 | C7 | C6 | 9.4° | 0.0° |
C2 | C3 | C4 | H18 | 179.5° | 180.0° |
C3 | C2 | C7 | H20 | 170.6° | 180.0° |
C52 | C51 | C32 | C19 | 86.7° | 178.8° |
C52 | C51 | C32 | H31 | 152.0° | 58.8° |
C52 | C51 | C32 | H32 | 34.8° | 61.2° |
C51 | C52 | H33 | H34 | 120.1° | 120.0° |
C51 | C52 | C53 | H35 | 179.3° | 180.0° |
C52 | C51 | C58 | H42 | 178.9° | 59.9° |
C52 | C51 | C58 | H43 | 61.7° | 180.0° |
C52 | C51 | C59 | H44 | 65.3° | 180.0° |
C52 | C51 | C59 | H45 | 175.8° | 60.1° |
C51 | C32 | C19 | H31 | 121.4° | 120.0° |
C51 | C32 | C19 | H32 | 121.4° | 120.0° |
C51 | C32 | C19 | N20 | 65.5° | 69.7° |
C51 | C32 | C19 | C17 | 172.6° | 170.3° |
C51 | C32 | C19 | H13 | 51.0° | 50.2° |
C51 | C32 | H31 | H32 | 115.5° | 120.0° |
C32 | C51 | C52 | H33 | 56.0° | 60.0° |
C32 | C51 | C52 | H34 | 64.1° | 60.0° |
C32 | C51 | C58 | H42 | 60.0° | 60.0° |
C32 | C51 | C58 | H43 | 59.4° | 60.0° |
C32 | C51 | C59 | H44 | 60.9° | 60.0° |
C32 | C51 | C59 | H45 | 58.0° | 59.9° |
C4 | C5 | S8 | O9 | 32.1° | 156.4° |
C4 | C5 | C6 | S8 | 173.9° | 179.9° |
C4 | C5 | C6 | C7 | 2.0° | 0.1° |
C4 | C5 | S8 | O10 | 158.4° | 23.5° |
C4 | C5 | S8 | N11 | 88.2° | 90.0° |
C5 | C4 | C3 | H17 | 179.5° | 180.0° |
C4 | C5 | C6 | H19 | 177.9° | 180.0° |
O39 | C2 | C7 | C6 | 171.3° | 179.8° |
O39 | C2 | C3 | H17 | 5.5° | 0.3° |
O39 | C2 | C7 | H20 | 8.7° | 0.2° |
C2 | O39 | C40 | H48 | 180.0° | 180.0° |
C2 | O39 | C40 | H49 | 60.0° | 60.0° |
C2 | O39 | C40 | H50 | 60.0° | 60.0° |
C40 | O39 | C2 | C7 | 2.3° | 180.0° |
O39 | C40 | H48 | H49 | 120.0° | 120.0° |
O39 | C40 | H48 | H50 | 120.0° | 120.0° |
O39 | C40 | H49 | H50 | 120.0° | 120.0° |
O9 | S8 | C5 | C6 | 154.2° | 23.5° |
O9 | S8 | C5 | O10 | 126.3° | 132.9° |
O9 | S8 | C5 | N11 | 120.3° | 113.5° |
O9 | S8 | O10 | N11 | 123.0° | 122.9° |
O9 | S8 | N11 | C16 | 29.7° | 23.5° |
O9 | S8 | N11 | C12 | 163.3° | 156.4° |
C2 | C7 | C6 | C5 | 7.6° | 0.1° |
C2 | C7 | C6 | H20 | 180.0° | 180.0° |
C7 | C2 | C3 | H17 | 173.8° | 180.0° |
C2 | C7 | C6 | H19 | 172.4° | 180.0° |
C5 | C6 | C7 | H19 | 180.0° | 179.9° |
C6 | C5 | S8 | O10 | 27.9° | 156.4° |
C6 | C5 | S8 | N11 | 85.5° | 90.1° |
C6 | C5 | C4 | H18 | 178.4° | 180.0° |
C5 | C6 | C7 | H20 | 172.5° | 179.9° |
S8 | C5 | C6 | C7 | 176.0° | 180.0° |
C5 | S8 | O10 | N11 | 120.6° | 114.1° |
C5 | S8 | N11 | C16 | 86.2° | 90.0° |
C5 | S8 | N11 | C12 | 47.4° | 90.0° |
S8 | C5 | C4 | H18 | 7.9° | 0.1° |
S8 | C5 | C6 | H19 | 4.0° | 0.1° |
C32 | C19 | N20 | C17 | 125.6° | 120.0° |
C32 | C19 | N20 | H13 | 116.3° | 120.0° |
C32 | C19 | C17 | H13 | 121.6° | 120.0° |
C32 | C19 | C17 | C16 | 69.3° | 65.0° |
C32 | C19 | N20 | C21 | 135.5° | 121.2° |
C32 | C19 | C17 | O18 | 49.4° | 55.0° |
C32 | C19 | C17 | H12 | 169.5° | 175.0° |
C32 | C19 | N20 | H22 | 44.5° | 58.8° |
C19 | C32 | H31 | H32 | 115.5° | 120.0° |
O10 | S8 | N11 | C16 | 158.0° | 156.4° |
O10 | S8 | N11 | C12 | 68.4° | 23.5° |
S8 | N11 | C16 | C12 | 134.8° | 180.0° |
S8 | N11 | C16 | C17 | 114.8° | 94.8° |
S8 | N11 | C12 | C13 | 147.4° | 93.5° |
S8 | N11 | C12 | H1 | 27.2° | 26.4° |
S8 | N11 | C12 | H2 | 92.4° | 146.5° |
S8 | N11 | C16 | H10 | 124.8° | 25.2° |
S8 | N11 | C16 | H11 | 5.6° | 145.1° |
C41 | C30 | C29 | H26 | 120.7° | 119.8° |
C41 | C30 | C29 | H27 | 120.7° | 119.8° |
C30 | C41 | C31 | H28 | 120.8° | 120.2° |
C30 | C41 | C31 | H29 | 120.8° | 120.2° |
C41 | C30 | C29 | O28 | 58.5° | 60.8° |
C30 | C41 | C31 | C24 | 91.5° | 161.2° |
C30 | C41 | C31 | C27 | 32.3° | 51.9° |
C41 | C30 | C29 | H24 | 177.6° | 179.5° |
C41 | C30 | C29 | H25 | 60.7° | 59.0° |
C41 | C30 | H26 | H27 | 117.8° | 120.6° |
C30 | C41 | H28 | H29 | 117.5° | 119.7° |
C30 | C41 | C31 | H30 | 149.7° | 74.9° |
C29 | C30 | C41 | C31 | 41.4° | 59.0° |
C30 | C29 | O28 | H24 | 119.1° | 119.7° |
C30 | C29 | O28 | H25 | 119.2° | 119.7° |
C30 | C29 | O28 | C27 | 70.9° | 60.0° |
C30 | C29 | H24 | H25 | 122.5° | 120.6° |
C29 | C30 | H26 | H27 | 117.9° | 120.4° |
C29 | C30 | C41 | H28 | 79.4° | 179.2° |
C29 | C30 | C41 | H29 | 162.2° | 61.2° |
N20 | C19 | C17 | H13 | 118.4° | 120.0° |
N20 | C19 | C17 | C16 | 170.7° | 175.0° |
C19 | N20 | C21 | H22 | 180.0° | 180.0° |
N20 | C19 | C17 | O18 | 70.6° | 65.0° |
C19 | N20 | C21 | O22 | 4.3° | 3.7° |
C19 | N20 | C21 | O23 | 174.5° | 176.3° |
N20 | C19 | C17 | H12 | 49.6° | 55.0° |
N20 | C19 | C32 | H31 | 173.1° | 50.3° |
N20 | C19 | C32 | H32 | 55.9° | 170.3° |
C19 | C17 | C16 | N11 | 66.6° | 175.0° |
C19 | C17 | C16 | O18 | 121.4° | 120.0° |
C19 | C17 | C16 | H12 | 121.3° | 120.1° |
C17 | C19 | N20 | C21 | 98.9° | 118.8° |
C19 | C17 | O18 | H12 | 119.5° | 120.1° |
C19 | C17 | C16 | H10 | 173.0° | 55.1° |
C19 | C17 | C16 | H11 | 53.7° | 65.0° |
C19 | C17 | O18 | H21 | 180.0° | 60.0° |
C17 | C19 | N20 | H22 | 81.1° | 61.2° |
C17 | C19 | C32 | H31 | 51.1° | 69.7° |
C17 | C19 | C32 | H32 | 66.0° | 50.3° |
N11 | C16 | C17 | H10 | 120.4° | 119.9° |
N11 | C16 | C17 | H11 | 120.4° | 120.0° |
N11 | C16 | C17 | O18 | 171.9° | 65.0° |
C16 | N11 | C12 | C13 | 75.9° | 86.5° |
C16 | N11 | C12 | H1 | 163.9° | 153.5° |
C16 | N11 | C12 | H2 | 44.3° | 33.4° |
N11 | C16 | H10 | H11 | 118.8° | 120.0° |
N11 | C16 | C17 | H12 | 54.7° | 54.9° |
C12 | N11 | C16 | C17 | 110.4° | 85.1° |
N11 | C12 | C13 | H1 | 120.2° | 120.0° |
N11 | C12 | C13 | H2 | 120.2° | 120.0° |
N11 | C12 | C13 | C14 | 59.8° | 63.6° |
N11 | C12 | C13 | C15 | 179.8° | 176.4° |
N11 | C12 | H1 | H2 | 119.4° | 120.1° |
N11 | C12 | C13 | H3 | 59.9° | 56.4° |
C12 | N11 | C16 | H10 | 10.0° | 154.9° |
C12 | N11 | C16 | H11 | 129.2° | 34.9° |
C41 | C31 | C27 | O28 | 43.6° | 47.9° |
C41 | C31 | C24 | O23 | 49.4° | 25.3° |
C41 | C31 | C24 | C27 | 128.1° | 115.4° |
C41 | C31 | C24 | H30 | 119.0° | 123.7° |
C41 | C31 | C27 | H30 | 117.7° | 126.4° |
C41 | C31 | C24 | C25 | 162.9° | 93.4° |
C41 | C31 | C27 | O26 | 155.8° | 74.7° |
C41 | C31 | C24 | H14 | 79.0° | 148.0° |
C41 | C31 | C27 | H23 | 82.1° | 169.1° |
C31 | C41 | C30 | H26 | 79.3° | 60.7° |
C31 | C41 | C30 | H27 | 162.1° | 178.7° |
C31 | C41 | H28 | H29 | 117.5° | 119.6° |
C29 | O28 | C27 | C31 | 64.9° | 54.0° |
C29 | O28 | C27 | O26 | 177.0° | 63.8° |
C29 | O28 | C27 | H23 | 60.1° | 174.8° |
O28 | C29 | H24 | H25 | 122.5° | 120.6° |
O28 | C29 | C30 | H26 | 62.2° | 59.0° |
O28 | C29 | C30 | H27 | 179.2° | 179.5° |
C16 | C17 | O18 | H12 | 116.3° | 120.0° |
C17 | C16 | H10 | H11 | 118.9° | 120.1° |
C16 | C17 | C19 | H13 | 52.3° | 55.0° |
C16 | C17 | O18 | H21 | 55.8° | 60.0° |
N20 | C21 | O22 | O23 | 178.6° | 180.0° |
N20 | C21 | O23 | C24 | 178.1° | 180.0° |
C21 | N20 | C19 | H13 | 19.3° | 1.2° |
O18 | C17 | C16 | H10 | 51.6° | 175.0° |
O18 | C17 | C16 | H11 | 67.7° | 55.0° |
O18 | C17 | C19 | H13 | 171.0° | 175.0° |
O22 | C21 | O23 | C24 | 0.7° | 0.0° |
O22 | C21 | N20 | H22 | 175.7° | 176.3° |
C21 | O23 | C24 | C31 | 118.9° | 153.9° |
C21 | O23 | C24 | C25 | 133.6° | 91.4° |
C21 | O23 | C24 | H14 | 8.9° | 31.1° |
O23 | C21 | N20 | H22 | 5.5° | 3.7° |
C12 | C13 | C14 | C15 | 122.0° | 120.1° |
C12 | C13 | C14 | H3 | 119.5° | 120.0° |
C12 | C13 | C15 | H3 | 120.2° | 120.0° |
C13 | C12 | H1 | H2 | 119.4° | 119.9° |
C12 | C13 | C14 | H4 | 180.0° | 179.3° |
C12 | C13 | C14 | H5 | 60.0° | 60.8° |
C12 | C13 | C14 | H6 | 60.0° | 59.3° |
C12 | C13 | C15 | H7 | 180.0° | 60.0° |
C12 | C13 | C15 | H8 | 60.0° | 180.0° |
C12 | C13 | C15 | H9 | 60.0° | 60.0° |
O28 | C27 | C31 | C24 | 85.6° | 161.0° |
O28 | C27 | C31 | O26 | 112.2° | 122.6° |
O28 | C27 | C31 | H23 | 125.7° | 121.2° |
O28 | C27 | O26 | H23 | 122.6° | 121.5° |
O28 | C27 | O26 | C25 | 110.9° | 163.5° |
C27 | O28 | C29 | H24 | 170.0° | 179.7° |
C27 | O28 | C29 | H25 | 48.3° | 59.7° |
O28 | C27 | C31 | H30 | 161.3° | 78.4° |
O23 | C24 | C31 | C25 | 113.5° | 118.7° |
O23 | C24 | C31 | H14 | 128.4° | 122.7° |
O23 | C24 | C31 | C27 | 78.7° | 140.7° |
O23 | C24 | C25 | H14 | 125.6° | 122.5° |
O23 | C24 | C25 | O26 | 84.1° | 117.8° |
O23 | C24 | C25 | H15 | 156.2° | 122.7° |
O23 | C24 | C25 | H16 | 35.5° | 1.7° |
O23 | C24 | C31 | H30 | 168.4° | 98.4° |
C24 | C31 | C27 | H30 | 113.1° | 120.6° |
C31 | C24 | C25 | H14 | 118.4° | 118.6° |
C24 | C31 | C27 | O26 | 26.6° | 38.3° |
C31 | C24 | C25 | O26 | 31.9° | 1.0° |
C31 | C24 | C25 | H15 | 87.8° | 118.5° |
C31 | C24 | C25 | H16 | 151.5° | 120.5° |
C24 | C31 | C27 | H23 | 148.7° | 77.9° |
C24 | C31 | C41 | H28 | 147.7° | 78.6° |
C24 | C31 | C41 | H29 | 29.3° | 41.0° |
C27 | C31 | C24 | C25 | 34.8° | 22.0° |
C31 | C27 | O26 | H23 | 120.9° | 115.8° |
C31 | C27 | O26 | C25 | 5.6° | 40.7° |
C27 | C31 | C24 | H14 | 152.9° | 96.6° |
C27 | C31 | C41 | H28 | 88.5° | 172.1° |
C27 | C31 | C41 | H29 | 153.1° | 68.3° |
C24 | C25 | O26 | C27 | 17.2° | 25.9° |
C24 | C25 | O26 | H15 | 119.7° | 119.5° |
C24 | C25 | O26 | H16 | 119.7° | 119.4° |
C24 | C25 | H15 | H16 | 121.0° | 121.0° |
C25 | C24 | C31 | H30 | 78.1° | 142.9° |
C27 | O26 | C25 | H15 | 102.5° | 93.5° |
C27 | O26 | C25 | H16 | 136.8° | 145.4° |
O26 | C27 | C31 | H30 | 86.4° | 158.9° |
C14 | C13 | C15 | H3 | 118.4° | 120.0° |
C14 | C13 | C12 | H1 | 60.5° | 176.4° |
C14 | C13 | C12 | H2 | 180.0° | 56.5° |
C13 | C14 | H4 | H5 | 120.0° | 120.0° |
C13 | C14 | H4 | H6 | 120.0° | 120.0° |
C13 | C14 | H5 | H6 | 120.0° | 120.0° |
C14 | C13 | C15 | H7 | 58.6° | 180.0° |
C14 | C13 | C15 | H8 | 61.4° | 60.0° |
C14 | C13 | C15 | H9 | 178.6° | 60.1° |
C15 | C13 | C12 | H1 | 59.6° | 56.4° |
C15 | C13 | C12 | H2 | 60.0° | 63.5° |
C15 | C13 | C14 | H4 | 58.0° | 59.3° |
C15 | C13 | C14 | H5 | 178.0° | 179.2° |
C15 | C13 | C14 | H6 | 62.0° | 60.7° |
C13 | C15 | H7 | H8 | 120.0° | 120.0° |
C13 | C15 | H7 | H9 | 120.0° | 120.0° |
C13 | C15 | H8 | H9 | 120.0° | 120.1° |
O26 | C25 | C24 | H14 | 150.3° | 119.6° |
O26 | C25 | H15 | H16 | 121.0° | 121.1° |
C25 | O26 | C27 | H23 | 126.5° | 75.1° |
H1 | C12 | C13 | H3 | 179.9° | 63.6° |
H2 | C12 | C13 | H3 | 60.3° | 176.5° |
H3 | C13 | C14 | H4 | 60.5° | 60.7° |
H3 | C13 | C14 | H5 | 59.5° | 59.2° |
H3 | C13 | C14 | H6 | 179.5° | 179.3° |
H3 | C13 | C15 | H7 | 59.8° | 60.0° |
H3 | C13 | C15 | H8 | 179.8° | 60.0° |
H3 | C13 | C15 | H9 | 60.2° | 180.0° |
H4 | C14 | H5 | H6 | 120.0° | 120.0° |
H7 | C15 | H8 | H9 | 119.9° | 120.0° |
H10 | C16 | C17 | H12 | 65.7° | 65.0° |
H11 | C16 | C17 | H12 | 175.0° | 175.0° |
H12 | C17 | C19 | H13 | 68.9° | 65.0° |
H12 | C17 | O18 | H21 | 60.5° | 179.9° |
H13 | C19 | N20 | H22 | 160.7° | 178.8° |
H13 | C19 | C32 | H31 | 70.4° | 170.3° |
H13 | C19 | C32 | H32 | 172.4° | 69.7° |
H14 | C24 | C25 | H15 | 30.6° | 0.2° |
H14 | C24 | C25 | H16 | 90.1° | 120.9° |
H14 | C24 | C31 | H30 | 40.0° | 24.3° |
H17 | C3 | C4 | H18 | 0.5° | 0.1° |
H19 | C6 | C7 | H20 | 7.6° | 0.0° |
H23 | C27 | C31 | H30 | 35.6° | 42.7° |
H24 | C29 | C30 | H26 | 56.9° | 60.7° |
H24 | C29 | C30 | H27 | 61.7° | 59.8° |
H25 | C29 | C30 | H26 | 178.6° | 178.7° |
H25 | C29 | C30 | H27 | 60.0° | 60.8° |
H26 | C30 | C41 | H28 | 159.9° | 59.5° |
H26 | C30 | C41 | H29 | 41.5° | 179.1° |
H27 | C30 | C41 | H28 | 41.3° | 61.1° |
H27 | C30 | C41 | H29 | 77.1° | 58.5° |
H28 | C41 | C31 | H30 | 28.9° | 45.3° |
H29 | C41 | C31 | H30 | 89.5° | 164.9° |
H33 | C52 | C53 | H35 | 59.4° | 59.9° |
H34 | C52 | C53 | H35 | 60.8° | 60.0° |
H35 | C53 | C54 | H36 | 60.4° | 60.0° |
H35 | C53 | C54 | H37 | 60.4° | 59.9° |
H35 | C53 | C60 | H46 | 60.4° | 59.9° |
H35 | C53 | C60 | H47 | 60.0° | 60.1° |
H36 | C54 | C55 | H38 | 60.8° | 60.0° |
H37 | C54 | C55 | H38 | 60.0° | 59.9° |
H38 | C55 | C56 | H39 | 61.6° | 60.0° |
H38 | C55 | C56 | H40 | 58.0° | 60.0° |
H38 | C55 | C59 | H44 | 57.8° | 60.0° |
H38 | C55 | C59 | H45 | 61.1° | 60.0° |
H39 | C56 | C57 | H41 | 60.8° | 60.0° |
H40 | C56 | C57 | H41 | 58.9° | 60.0° |
H41 | C57 | C58 | H42 | 59.3° | 60.0° |
H41 | C57 | C58 | H43 | 60.2° | 60.0° |
H41 | C57 | C60 | H46 | 61.1° | 60.0° |
H41 | C57 | C60 | H47 | 59.2° | 60.0° |
H48 | C40 | H49 | H50 | 120.0° | 120.0° |