A61
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | doub | 1.28Å | 1.34Å | Aromatic |
C1 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
N1 | C2 | sing | 1.35Å | 1.37Å | Aromatic |
S1 | C3 | sing | 1.76Å | 1.71Å | Aromatic |
C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
C2 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.65Å | |
C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.42Å | |
S8 | O10 | doub | 1.42Å | 1.41Å | |
S8 | N11 | sing | 1.66Å | 1.63Å | |
N11 | C12 | sing | 1.46Å | 1.48Å | |
N11 | C16 | sing | 1.47Å | 1.47Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.54Å | |
C14 | C20 | sing | 1.53Å | 1.52Å | |
C15 | C18 | sing | 1.53Å | 1.52Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
C17 | C19 | sing | 1.53Å | 1.54Å | |
C19 | N20 | sing | 1.46Å | 1.45Å | |
C19 | C32 | sing | 1.53Å | 1.53Å | |
N20 | C21 | sing | 1.35Å | 1.32Å | |
C21 | O22 | doub | 1.22Å | 1.21Å | |
C21 | O23 | sing | 1.35Å | 1.42Å | |
O23 | C24 | sing | 1.45Å | 1.42Å | |
C24 | C25 | sing | 1.54Å | 1.52Å | |
C24 | C31 | sing | 1.54Å | 1.51Å | |
C25 | O26 | sing | 1.44Å | 1.42Å | |
O26 | C27 | sing | 1.44Å | 1.42Å | |
C27 | O28 | sing | 1.43Å | 1.41Å | |
C27 | C31 | sing | 1.56Å | 1.52Å | |
O28 | C29 | sing | 1.43Å | 1.43Å | |
C29 | C30 | sing | 1.54Å | 1.52Å | |
C30 | C31 | sing | 1.55Å | 1.52Å | |
C32 | C38 | sing | 1.51Å | 1.52Å | |
C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C18 | H18B | sing | 1.09Å | 1.10Å | |
O18 | HO18 | sing | 0.97Å | 0.95Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C20 | H20B | sing | 1.09Å | 1.10Å | |
N20 | HN20 | sing | 0.97Å | 1.00Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H29A | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H30A | sing | 1.09Å | 1.10Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H32A | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.08Å | 1.08Å | |
C34 | H34 | sing | 1.08Å | 1.08Å | |
C35 | H35 | sing | 1.08Å | 1.08Å | |
C36 | H36 | sing | 1.08Å | 1.08Å | |
C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1 | S1 | 115.2° | 111.5° |
C1 | N1 | C2 | 112.5° | 117.8° |
N1 | C1 | H1 | 122.4° | 124.2° |
C1 | S1 | C3 | 86.7° | 90.8° |
S1 | C1 | H1 | 122.4° | 124.3° |
N1 | C2 | C3 | 110.3° | 111.8° |
N1 | C2 | C7 | 130.0° | 129.7° |
S1 | C3 | C2 | 115.3° | 108.0° |
S1 | C3 | C4 | 126.8° | 131.7° |
C3 | C2 | C7 | 119.7° | 118.5° |
C2 | C3 | C4 | 117.9° | 120.2° |
C2 | C7 | C6 | 122.6° | 120.4° |
C2 | C7 | H7 | 118.7° | 119.8° |
C3 | C4 | C5 | 122.7° | 120.0° |
C3 | C4 | H4 | 118.7° | 120.0° |
C4 | C5 | C6 | 117.6° | 120.0° |
C4 | C5 | S8 | 124.7° | 120.0° |
C5 | C4 | H4 | 118.6° | 120.0° |
C6 | C5 | S8 | 117.5° | 120.0° |
C5 | C6 | C7 | 119.5° | 120.8° |
C5 | C6 | H6 | 120.2° | 119.6° |
C5 | S8 | O9 | 108.4° | 106.4° |
C5 | S8 | O10 | 110.8° | 106.4° |
C5 | S8 | N11 | 106.7° | 107.3° |
C7 | C6 | H6 | 120.2° | 119.6° |
C6 | C7 | H7 | 118.7° | 119.8° |
O9 | S8 | O10 | 115.7° | 123.1° |
O9 | S8 | N11 | 106.9° | 106.4° |
O10 | S8 | N11 | 107.9° | 106.4° |
S8 | N11 | C12 | 114.7° | 120.0° |
S8 | N11 | C16 | 116.1° | 120.0° |
C12 | N11 | C16 | 115.7° | 120.0° |
N11 | C12 | C13 | 113.6° | 109.5° |
N11 | C12 | H12 | 108.1° | 109.5° |
N11 | C12 | H12A | 108.1° | 109.5° |
N11 | C16 | C17 | 109.6° | 109.5° |
N11 | C16 | H16 | 109.4° | 109.4° |
N11 | C16 | H16A | 109.4° | 109.5° |
C12 | C13 | C14 | 114.4° | 109.5° |
C12 | C13 | C15 | 108.1° | 109.5° |
C13 | C12 | H12 | 108.1° | 109.5° |
C13 | C12 | H12A | 108.1° | 109.5° |
C12 | C13 | H13 | 108.2° | 109.5° |
C14 | C13 | C15 | 112.7° | 109.5° |
C13 | C14 | C20 | 112.9° | 109.5° |
C14 | C13 | H13 | 103.2° | 109.4° |
C13 | C14 | H14 | 108.4° | 109.4° |
C13 | C14 | H14A | 108.4° | 109.5° |
C13 | C15 | C18 | 115.1° | 109.5° |
C15 | C13 | H13 | 110.1° | 109.5° |
C13 | C15 | H15 | 107.6° | 109.5° |
C13 | C15 | H15A | 107.6° | 109.5° |
C20 | C14 | H14 | 108.4° | 109.5° |
C20 | C14 | H14A | 108.3° | 109.5° |
C14 | C20 | H20 | 109.5° | 109.5° |
C14 | C20 | H20A | 109.4° | 109.5° |
C14 | C20 | H20B | 109.4° | 109.4° |
C18 | C15 | H15 | 107.6° | 109.5° |
C18 | C15 | H15A | 107.6° | 109.5° |
C15 | C18 | H18 | 109.5° | 109.5° |
C15 | C18 | H18A | 109.5° | 109.5° |
C15 | C18 | H18B | 109.4° | 109.5° |
C16 | C17 | O18 | 108.2° | 109.4° |
C16 | C17 | C19 | 113.6° | 109.5° |
C17 | C16 | H16 | 109.4° | 109.5° |
C17 | C16 | H16A | 109.4° | 109.4° |
C16 | C17 | H17 | 107.6° | 109.5° |
O18 | C17 | C19 | 109.6° | 109.5° |
O18 | C17 | H17 | 111.8° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 108.2° | 109.5° |
C17 | C19 | C32 | 114.6° | 109.5° |
C19 | C17 | H17 | 106.2° | 109.5° |
C17 | C19 | H19 | 106.5° | 109.5° |
N20 | C19 | C32 | 108.3° | 109.5° |
C19 | N20 | C21 | 125.4° | 120.0° |
N20 | C19 | H19 | 113.0° | 109.5° |
C19 | N20 | HN20 | 117.3° | 120.1° |
C19 | C32 | C38 | 110.4° | 109.4° |
C32 | C19 | H19 | 106.3° | 109.5° |
C19 | C32 | H32 | 109.2° | 109.5° |
C19 | C32 | H32A | 109.2° | 109.5° |
N20 | C21 | O22 | 129.7° | 120.0° |
N20 | C21 | O23 | 110.8° | 120.0° |
C21 | N20 | HN20 | 117.3° | 120.0° |
O22 | C21 | O23 | 119.5° | 120.0° |
C21 | O23 | C24 | 117.3° | 117.0° |
O23 | C24 | C25 | 104.2° | 110.4° |
O23 | C24 | C31 | 107.5° | 110.4° |
O23 | C24 | H24 | 111.9° | 110.4° |
C25 | C24 | C31 | 102.5° | 104.7° |
C24 | C25 | O26 | 104.2° | 107.4° |
C25 | C24 | H24 | 116.4° | 110.4° |
C24 | C25 | H25 | 111.3° | 109.9° |
C24 | C25 | H25A | 111.3° | 109.9° |
C24 | C31 | C27 | 105.0° | 102.7° |
C24 | C31 | C30 | 115.7° | 108.9° |
C31 | C24 | H24 | 113.4° | 110.5° |
C24 | C31 | H31 | 106.8° | 113.8° |
C25 | O26 | C27 | 110.1° | 107.9° |
O26 | C25 | H25 | 111.2° | 109.8° |
O26 | C25 | H25A | 111.3° | 109.8° |
O26 | C27 | O28 | 110.2° | 108.8° |
O26 | C27 | C31 | 106.5° | 104.0° |
O26 | C27 | H27 | 110.4° | 112.6° |
O28 | C27 | C31 | 108.1° | 105.1° |
C27 | O28 | C29 | 111.6° | 110.4° |
O28 | C27 | H27 | 108.9° | 112.6° |
C27 | C31 | C30 | 104.1° | 101.2° |
C31 | C27 | H27 | 112.5° | 113.2° |
C27 | C31 | H31 | 117.9° | 114.2° |
O28 | C29 | C30 | 105.5° | 107.6° |
O28 | C29 | H29 | 110.8° | 109.9° |
O28 | C29 | H29A | 110.8° | 109.8° |
C29 | C30 | C31 | 105.1° | 102.6° |
C30 | C29 | H29 | 110.8° | 109.8° |
C30 | C29 | H29A | 110.8° | 109.8° |
C29 | C30 | H30 | 111.0° | 110.8° |
C29 | C30 | H30A | 111.0° | 110.8° |
C31 | C30 | H30 | 110.9° | 110.8° |
C31 | C30 | H30A | 110.9° | 110.7° |
C30 | C31 | H31 | 107.6° | 114.6° |
C32 | C38 | C33 | 119.4° | 120.0° |
C32 | C38 | C37 | 120.8° | 120.0° |
C38 | C32 | H32 | 109.2° | 109.5° |
C38 | C32 | H32A | 109.2° | 109.4° |
C34 | C33 | C38 | 120.1° | 120.0° |
C33 | C34 | C35 | 119.6° | 120.0° |
C34 | C33 | H33 | 120.0° | 120.0° |
C33 | C34 | H34 | 120.2° | 120.0° |
C33 | C38 | C37 | 119.8° | 120.0° |
C38 | C33 | H33 | 119.9° | 120.0° |
C34 | C35 | C36 | 120.4° | 120.0° |
C35 | C34 | H34 | 120.2° | 120.0° |
C34 | C35 | H35 | 119.8° | 120.0° |
C35 | C36 | C37 | 120.3° | 120.0° |
C36 | C35 | H35 | 119.8° | 120.0° |
C35 | C36 | H36 | 119.8° | 120.0° |
C36 | C37 | C38 | 119.7° | 120.0° |
C37 | C36 | H36 | 119.8° | 120.0° |
C36 | C37 | H37 | 120.1° | 120.0° |
C38 | C37 | H37 | 120.2° | 120.0° |
H12 | C12 | H12A | 110.8° | 109.5° |
H14 | C14 | H14A | 110.6° | 109.4° |
H15 | C15 | H15A | 111.2° | 109.4° |
H16 | C16 | H16A | 109.5° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.4° |
H18 | C18 | H18B | 109.5° | 109.5° |
H18A | C18 | H18B | 109.5° | 109.5° |
H20 | C20 | H20A | 109.5° | 109.5° |
H20 | C20 | H20B | 109.5° | 109.4° |
H20A | C20 | H20B | 109.5° | 109.5° |
H25 | C25 | H25A | 107.6° | 110.0° |
H29 | C29 | H29A | 108.1° | 109.9° |
H30 | C30 | H30A | 107.9° | 110.8° |
H32 | C32 | H32A | 109.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | S1 | H1 | 180.0° | 179.7° |
N1 | C1 | S1 | C3 | 0.3° | 0.0° |
C1 | N1 | C2 | C3 | 0.8° | 0.1° |
C1 | N1 | C2 | C7 | 178.0° | 180.0° |
S1 | C1 | N1 | C2 | 0.2° | 0.0° |
C1 | S1 | C3 | C2 | 0.8° | 0.1° |
C1 | S1 | C3 | C4 | 179.8° | 180.0° |
N1 | C2 | C3 | S1 | 1.0° | 0.1° |
N1 | C2 | C3 | C7 | 178.9° | 179.9° |
N1 | C2 | C3 | C4 | 179.8° | 180.0° |
N1 | C2 | C7 | C6 | 179.7° | 179.9° |
C2 | N1 | C1 | H1 | 179.7° | 179.8° |
N1 | C2 | C7 | H7 | 0.3° | 0.1° |
S1 | C3 | C2 | C4 | 179.1° | 180.0° |
S1 | C3 | C2 | C7 | 177.9° | 180.0° |
S1 | C3 | C4 | C5 | 179.5° | 180.0° |
C3 | S1 | C1 | H1 | 179.7° | 179.7° |
S1 | C3 | C4 | H4 | 0.5° | 0.0° |
C2 | C3 | C4 | C5 | 0.5° | 0.0° |
C3 | C2 | C7 | C6 | 1.6° | 0.1° |
C2 | C3 | C4 | H4 | 179.5° | 180.0° |
C3 | C2 | C7 | H7 | 178.4° | 180.0° |
C7 | C2 | C3 | C4 | 1.2° | 0.0° |
C2 | C7 | C6 | C5 | 0.2° | 0.1° |
C2 | C7 | C6 | H7 | 180.0° | 179.9° |
C2 | C7 | C6 | H6 | 179.8° | 180.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 1.8° | 0.0° |
C3 | C4 | C5 | S8 | 174.6° | 180.0° |
C4 | C5 | C6 | S8 | 176.7° | 180.0° |
C4 | C5 | C6 | C7 | 1.5° | 0.1° |
C4 | C5 | S8 | O9 | 24.0° | 156.5° |
C4 | C5 | S8 | O10 | 152.0° | 23.5° |
C4 | C5 | S8 | N11 | 90.8° | 90.0° |
C4 | C5 | C6 | H6 | 178.5° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.9° |
C6 | C5 | S8 | O9 | 159.5° | 23.6° |
C6 | C5 | S8 | O10 | 31.5° | 156.5° |
C6 | C5 | S8 | N11 | 85.7° | 90.0° |
C6 | C5 | C4 | H4 | 178.2° | 180.0° |
C5 | C6 | C7 | H7 | 179.8° | 179.9° |
S8 | C5 | C6 | C7 | 175.3° | 179.9° |
C5 | S8 | O9 | O10 | 125.1° | 122.9° |
C5 | S8 | O9 | N11 | 114.7° | 114.1° |
C5 | S8 | O10 | N11 | 116.5° | 114.1° |
C5 | S8 | N11 | C12 | 51.7° | 97.5° |
C5 | S8 | N11 | C16 | 87.3° | 82.5° |
S8 | C5 | C4 | H4 | 5.4° | 0.0° |
S8 | C5 | C6 | H6 | 4.7° | 0.0° |
O9 | S8 | O10 | N11 | 119.6° | 122.9° |
O9 | S8 | N11 | C12 | 64.2° | 16.1° |
O9 | S8 | N11 | C16 | 156.8° | 164.0° |
O10 | S8 | N11 | C12 | 170.8° | 149.0° |
O10 | S8 | N11 | C16 | 31.7° | 31.1° |
S8 | N11 | C12 | C16 | 139.2° | 180.0° |
S8 | N11 | C12 | C13 | 137.3° | 96.1° |
S8 | N11 | C16 | C17 | 117.1° | 93.3° |
S8 | N11 | C12 | H12 | 17.4° | 143.9° |
S8 | N11 | C12 | H12A | 102.7° | 23.9° |
S8 | N11 | C16 | H16 | 122.9° | 146.6° |
S8 | N11 | C16 | H16A | 2.8° | 26.6° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.0° |
N11 | C12 | C13 | C14 | 60.4° | 65.0° |
N11 | C12 | C13 | C15 | 173.2° | 55.0° |
C12 | N11 | C16 | C17 | 104.2° | 86.7° |
N11 | C12 | H12 | H12A | 118.3° | 120.0° |
N11 | C12 | C13 | H13 | 54.0° | 175.0° |
C12 | N11 | C16 | H16 | 15.7° | 33.4° |
C12 | N11 | C16 | H16A | 135.8° | 153.4° |
C16 | N11 | C12 | C13 | 83.4° | 83.9° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 120.0° | 120.0° |
N11 | C16 | C17 | O18 | 166.5° | 65.0° |
N11 | C16 | C17 | C19 | 71.6° | 175.0° |
C16 | N11 | C12 | H12 | 156.6° | 36.1° |
C16 | N11 | C12 | H12A | 36.6° | 156.1° |
N11 | C16 | H16 | H16A | 120.0° | 120.0° |
N11 | C16 | C17 | H17 | 45.6° | 55.0° |
C12 | C13 | C14 | C15 | 124.0° | 120.0° |
C12 | C13 | C14 | H13 | 117.3° | 120.0° |
C12 | C13 | C15 | H13 | 118.0° | 120.0° |
C12 | C13 | C14 | C20 | 169.2° | 68.0° |
C12 | C13 | C15 | C18 | 68.5° | 65.6° |
C13 | C12 | H12 | H12A | 118.3° | 120.0° |
C12 | C13 | C14 | H14 | 49.2° | 52.0° |
C12 | C13 | C14 | H14A | 70.8° | 171.9° |
C12 | C13 | C15 | H15 | 51.5° | 174.5° |
C12 | C13 | C15 | H15A | 171.5° | 54.5° |
C14 | C13 | C15 | H13 | 114.6° | 119.9° |
C13 | C14 | C20 | H14 | 120.0° | 120.0° |
C13 | C14 | C20 | H14A | 120.0° | 120.1° |
C14 | C13 | C15 | C18 | 58.9° | 174.4° |
C14 | C13 | C12 | H12 | 59.6° | 175.0° |
C14 | C13 | C12 | H12A | 179.6° | 55.0° |
C13 | C14 | H14 | H14A | 118.6° | 120.0° |
C14 | C13 | C15 | H15 | 178.9° | 54.4° |
C14 | C13 | C15 | H15A | 61.1° | 65.6° |
C13 | C14 | C20 | H20 | 180.0° | 179.3° |
C13 | C14 | C20 | H20A | 60.0° | 60.6° |
C13 | C14 | C20 | H20B | 60.0° | 59.4° |
C15 | C13 | C14 | C20 | 66.8° | 171.9° |
C13 | C15 | C18 | H15 | 120.0° | 120.0° |
C13 | C15 | C18 | H15A | 120.0° | 120.0° |
C15 | C13 | C12 | H12 | 66.8° | 65.0° |
C15 | C13 | C12 | H12A | 53.2° | 175.0° |
C15 | C13 | C14 | H14 | 173.2° | 68.0° |
C15 | C13 | C14 | H14A | 53.2° | 51.9° |
C13 | C15 | H15 | H15A | 117.7° | 120.0° |
C13 | C15 | C18 | H18 | 180.0° | 60.0° |
C13 | C15 | C18 | H18A | 60.0° | 180.0° |
C13 | C15 | C18 | H18B | 60.0° | 60.0° |
C20 | C14 | C13 | H13 | 51.9° | 52.0° |
C20 | C14 | H14 | H14A | 118.6° | 120.0° |
C14 | C20 | H20 | H20A | 120.0° | 120.1° |
C14 | C20 | H20 | H20B | 120.0° | 119.9° |
C14 | C20 | H20A | H20B | 120.0° | 120.0° |
C18 | C15 | C13 | H13 | 173.5° | 54.5° |
C18 | C15 | H15 | H15A | 117.7° | 120.0° |
C15 | C18 | H18 | H18A | 120.0° | 120.0° |
C15 | C18 | H18 | H18B | 120.0° | 120.0° |
C15 | C18 | H18A | H18B | 120.0° | 120.0° |
C16 | C17 | O18 | C19 | 124.3° | 120.0° |
C16 | C17 | O18 | H17 | 118.3° | 120.1° |
C16 | C17 | C19 | H17 | 118.0° | 120.1° |
C16 | C17 | C19 | N20 | 169.7° | 175.1° |
C16 | C17 | C19 | C32 | 69.3° | 65.0° |
C17 | C16 | H16 | H16A | 120.0° | 120.0° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 48.0° | 55.0° |
O18 | C17 | C19 | H17 | 120.9° | 120.0° |
O18 | C17 | C19 | N20 | 69.2° | 65.0° |
O18 | C17 | C19 | C32 | 51.8° | 55.0° |
O18 | C17 | C16 | H16 | 46.5° | 54.9° |
O18 | C17 | C16 | H16A | 73.5° | 175.0° |
O18 | C17 | C19 | H19 | 169.1° | 175.0° |
C17 | C19 | N20 | C32 | 124.8° | 120.0° |
C17 | C19 | N20 | H19 | 117.6° | 120.0° |
C17 | C19 | C32 | H19 | 117.4° | 120.0° |
C17 | C19 | N20 | C21 | 106.5° | 154.9° |
C17 | C19 | C32 | C38 | 179.8° | 175.0° |
C19 | C17 | C16 | H16 | 168.4° | 65.0° |
C19 | C17 | C16 | H16A | 48.4° | 55.1° |
C19 | C17 | O18 | HO18 | 55.7° | 60.0° |
C17 | C19 | N20 | HN20 | 73.4° | 25.0° |
C17 | C19 | C32 | H32 | 59.8° | 65.0° |
C17 | C19 | C32 | H32A | 60.1° | 55.0° |
N20 | C19 | C32 | H19 | 121.7° | 120.0° |
C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
C19 | N20 | C21 | O22 | 3.3° | 0.1° |
C19 | N20 | C21 | O23 | 178.5° | 180.0° |
N20 | C19 | C32 | C38 | 58.9° | 65.0° |
N20 | C19 | C17 | H17 | 51.7° | 55.0° |
N20 | C19 | C32 | H32 | 61.1° | 54.9° |
N20 | C19 | C32 | H32A | 179.0° | 175.0° |
C32 | C19 | N20 | C21 | 128.6° | 85.1° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 111.6° | 90.0° |
C19 | C32 | C38 | C37 | 70.0° | 90.0° |
C32 | C19 | C17 | H17 | 172.6° | 175.0° |
C32 | C19 | N20 | HN20 | 51.4° | 95.0° |
C19 | C32 | H32 | H32A | 119.6° | 120.0° |
N20 | C21 | O22 | O23 | 178.1° | 179.9° |
N20 | C21 | O23 | C24 | 169.8° | 180.0° |
C21 | N20 | C19 | H19 | 11.1° | 34.9° |
O22 | C21 | O23 | C24 | 11.7° | 0.0° |
O22 | C21 | N20 | HN20 | 176.7° | 180.0° |
C21 | O23 | C24 | C25 | 141.1° | 91.4° |
C21 | O23 | C24 | C31 | 110.6° | 153.2° |
O23 | C21 | N20 | HN20 | 1.5° | 0.1° |
C21 | O23 | C24 | H24 | 14.6° | 30.8° |
O23 | C24 | C25 | C31 | 112.0° | 118.8° |
O23 | C24 | C25 | H24 | 123.7° | 122.3° |
O23 | C24 | C31 | H24 | 124.3° | 122.4° |
O23 | C24 | C25 | O26 | 77.9° | 115.4° |
O23 | C24 | C31 | C27 | 84.3° | 136.5° |
O23 | C24 | C31 | C30 | 29.9° | 29.8° |
O23 | C24 | C25 | H25 | 162.2° | 125.2° |
O23 | C24 | C25 | H25A | 42.1° | 4.1° |
O23 | C24 | C31 | H31 | 149.7° | 99.4° |
C25 | C24 | C31 | H24 | 126.2° | 118.8° |
C24 | C25 | O26 | H25 | 120.0° | 119.5° |
C24 | C25 | O26 | H25A | 120.0° | 119.4° |
C24 | C25 | O26 | C27 | 31.1° | 25.7° |
C25 | C24 | C31 | C27 | 25.2° | 17.7° |
C25 | C24 | C31 | C30 | 139.3° | 89.0° |
C24 | C25 | H25 | H25A | 122.1° | 121.1° |
C25 | C24 | C31 | H31 | 100.9° | 141.7° |
C31 | C24 | C25 | O26 | 34.1° | 3.5° |
C24 | C31 | C27 | O26 | 7.7° | 33.0° |
C24 | C31 | C27 | O28 | 110.8° | 147.3° |
C24 | C31 | C27 | C30 | 122.1° | 112.5° |
C24 | C31 | C27 | H31 | 118.8° | 123.8° |
C24 | C31 | C30 | C29 | 93.7° | 140.9° |
C24 | C31 | C30 | H31 | 119.4° | 128.8° |
C31 | C24 | C25 | H25 | 85.9° | 116.0° |
C31 | C24 | C25 | H25A | 154.1° | 122.9° |
C24 | C31 | C27 | H27 | 128.9° | 89.5° |
C24 | C31 | C30 | H30 | 146.3° | 100.8° |
C24 | C31 | C30 | H30A | 26.4° | 22.6° |
C25 | O26 | C27 | O28 | 131.9° | 148.6° |
C25 | O26 | C27 | C31 | 14.8° | 36.9° |
O26 | C25 | C24 | H24 | 158.4° | 122.3° |
O26 | C25 | H25 | H25A | 122.1° | 121.0° |
C25 | O26 | C27 | H27 | 107.7° | 86.0° |
O26 | C27 | O28 | C31 | 116.1° | 110.9° |
O26 | C27 | O28 | H27 | 121.3° | 125.5° |
O26 | C27 | C31 | H27 | 121.2° | 122.5° |
O26 | C27 | O28 | C29 | 112.4° | 88.1° |
O26 | C27 | C31 | C30 | 129.8° | 79.5° |
C27 | O26 | C25 | H25 | 88.9° | 93.8° |
C27 | O26 | C25 | H25A | 151.1° | 145.1° |
O26 | C27 | C31 | H31 | 111.1° | 156.8° |
O28 | C27 | C31 | H27 | 120.4° | 123.3° |
C27 | O28 | C29 | C30 | 17.2° | 0.9° |
O28 | C27 | C31 | C30 | 11.3° | 34.8° |
C27 | O28 | C29 | H29 | 137.2° | 120.5° |
C27 | O28 | C29 | H29A | 102.8° | 118.6° |
O28 | C27 | C31 | H31 | 130.5° | 88.9° |
C31 | C27 | O28 | C29 | 3.7° | 22.8° |
C27 | C31 | C30 | C29 | 21.0° | 33.1° |
C27 | C31 | C30 | H31 | 125.9° | 123.4° |
C27 | C31 | C24 | H24 | 151.4° | 101.2° |
C27 | C31 | C30 | H30 | 99.0° | 151.4° |
C27 | C31 | C30 | H30A | 141.1° | 85.2° |
O28 | C29 | C30 | H29 | 120.0° | 119.6° |
O28 | C29 | C30 | H29A | 120.0° | 119.5° |
O28 | C29 | C30 | C31 | 23.6° | 21.3° |
C29 | O28 | C27 | H27 | 126.3° | 146.5° |
O28 | C29 | H29 | H29A | 121.7° | 120.8° |
O28 | C29 | C30 | H30 | 96.4° | 139.6° |
O28 | C29 | C30 | H30A | 143.6° | 96.9° |
C29 | C30 | C31 | H30 | 120.0° | 118.3° |
C29 | C30 | C31 | H30A | 120.0° | 118.3° |
C30 | C29 | H29 | H29A | 121.6° | 120.9° |
C29 | C30 | H30 | H30A | 121.8° | 123.4° |
C29 | C30 | C31 | H31 | 147.0° | 90.3° |
C30 | C31 | C24 | H24 | 94.4° | 152.1° |
C30 | C31 | C27 | H27 | 109.1° | 158.0° |
C31 | C30 | C29 | H29 | 143.6° | 98.3° |
C31 | C30 | C29 | H29A | 96.5° | 140.8° |
C31 | C30 | H30 | H30A | 121.7° | 123.3° |
C32 | C38 | C33 | C34 | 178.5° | 179.9° |
C32 | C38 | C33 | C37 | 178.5° | 180.0° |
C32 | C38 | C37 | C36 | 179.5° | 180.0° |
C38 | C32 | C19 | H19 | 62.8° | 55.0° |
C38 | C32 | H32 | H32A | 119.6° | 120.0° |
C32 | C38 | C33 | H33 | 1.5° | 0.3° |
C32 | C38 | C37 | H37 | 0.5° | 0.1° |
C34 | C33 | C38 | H33 | 180.0° | 179.8° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 1.2° | 0.1° |
C34 | C33 | C38 | C37 | 3.0° | 0.0° |
C33 | C34 | C35 | H35 | 178.8° | 180.0° |
C38 | C33 | C34 | C35 | 2.6° | 0.0° |
C33 | C38 | C37 | C36 | 2.1° | 0.1° |
C33 | C38 | C32 | H32 | 8.5° | 30.0° |
C33 | C38 | C32 | H32A | 128.4° | 150.0° |
C38 | C33 | C34 | H34 | 177.5° | 180.0° |
C33 | C38 | C37 | H37 | 177.9° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 0.3° | 0.1° |
C35 | C34 | C33 | H33 | 177.5° | 179.8° |
C34 | C35 | C36 | H36 | 179.7° | 180.0° |
C35 | C36 | C37 | H36 | 180.0° | 179.8° |
C35 | C36 | C37 | C38 | 0.7° | 0.1° |
C36 | C35 | C34 | H34 | 178.8° | 179.9° |
C35 | C36 | C37 | H37 | 179.2° | 179.9° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 179.7° | 179.9° |
C37 | C38 | C32 | H32 | 170.0° | 150.1° |
C37 | C38 | C32 | H32A | 50.0° | 30.0° |
C37 | C38 | C33 | H33 | 177.0° | 179.8° |
C38 | C37 | C36 | H36 | 179.3° | 180.0° |
H6 | C6 | C7 | H7 | 0.2° | 0.1° |
H12 | C12 | C13 | H13 | 174.0° | 55.0° |
H12A | C12 | C13 | H13 | 66.0° | 65.0° |
H13 | C13 | C14 | H14 | 68.1° | 172.0° |
H13 | C13 | C14 | H14A | 171.9° | 68.1° |
H13 | C13 | C15 | H15 | 66.5° | 65.5° |
H13 | C13 | C15 | H15A | 53.4° | 174.5° |
H14 | C14 | C20 | H20 | 60.0° | 59.3° |
H14 | C14 | C20 | H20A | 180.0° | 179.4° |
H14 | C14 | C20 | H20B | 60.0° | 60.6° |
H14A | C14 | C20 | H20 | 60.0° | 60.7° |
H14A | C14 | C20 | H20A | 60.0° | 59.4° |
H14A | C14 | C20 | H20B | 180.0° | 179.4° |
H15 | C15 | C18 | H18 | 60.0° | 60.0° |
H15 | C15 | C18 | H18A | 180.0° | 60.0° |
H15 | C15 | C18 | H18B | 60.0° | 180.0° |
H15A | C15 | C18 | H18 | 60.0° | 179.9° |
H15A | C15 | C18 | H18A | 60.0° | 60.0° |
H15A | C15 | C18 | H18B | 180.0° | 60.0° |
H16 | C16 | C17 | H17 | 74.4° | 175.0° |
H16A | C16 | C17 | H17 | 165.6° | 65.0° |
H17 | C17 | O18 | HO18 | 61.7° | 179.9° |
H17 | C17 | C19 | H19 | 70.0° | 65.0° |
H18 | C18 | H18A | H18B | 120.0° | 120.0° |
H19 | C19 | N20 | HN20 | 168.9° | 145.0° |
H19 | C19 | C32 | H32 | 177.2° | 175.0° |
H19 | C19 | C32 | H32A | 57.3° | 65.0° |
H20 | C20 | H20A | H20B | 120.0° | 120.0° |
H24 | C24 | C25 | H25 | 38.4° | 2.9° |
H24 | C24 | C25 | H25A | 81.6° | 118.2° |
H24 | C24 | C31 | H31 | 25.4° | 22.9° |
H27 | C27 | C31 | H31 | 10.1° | 34.3° |
H29 | C29 | C30 | H30 | 23.6° | 20.0° |
H29 | C29 | C30 | H30A | 96.4° | 143.5° |
H29A | C29 | C30 | H30 | 143.5° | 100.9° |
H29A | C29 | C30 | H30A | 23.5° | 22.5° |
H30 | C30 | C31 | H31 | 27.0° | 28.0° |
H30A | C30 | C31 | H31 | 93.0° | 151.4° |
H33 | C33 | C34 | H34 | 2.5° | 0.2° |
H34 | C34 | C35 | H35 | 1.2° | 0.0° |
H35 | C35 | C36 | H36 | 0.3° | 0.1° |
H36 | C36 | C37 | H37 | 0.8° | 0.1° |