77F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.44Å | |
O1 | C2 | sing | 1.36Å | 1.36Å | |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.63Å | |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.45Å | |
S8 | O10 | doub | 1.42Å | 1.42Å | |
S8 | N11 | sing | 1.66Å | 1.63Å | |
C11 | C15 | sing | 1.53Å | 1.52Å | |
C11 | C18 | sing | 1.53Å | 1.53Å | |
N11 | C12 | sing | 1.46Å | 1.47Å | |
N11 | C16 | sing | 1.46Å | 1.48Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | C15 | sing | 1.53Å | 1.53Å | |
C14 | C20 | sing | 1.53Å | 1.52Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C17 | O18 | sing | 1.43Å | 1.45Å | |
C17 | C19 | sing | 1.53Å | 1.52Å | |
C18 | C20 | sing | 1.53Å | 1.53Å | |
C19 | N20 | sing | 1.47Å | 1.45Å | |
C19 | C32 | sing | 1.53Å | 1.53Å | |
N20 | C21 | sing | 1.35Å | 1.32Å | |
C21 | C22 | sing | 1.48Å | 1.50Å | |
C21 | O22 | doub | 1.22Å | 1.21Å | |
C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
C22 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | O27 | sing | 1.36Å | 1.35Å | |
C32 | C38 | sing | 1.51Å | 1.53Å | |
C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å | |
C3 | H3 | 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 | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
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 | |
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 | |
N20 | HN20 | sing | 0.97Å | 1.00Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
O27 | HO27 | sing | 0.97Å | 0.95Å | |
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) |
C1 | O1 | C2 | 118.9° | 117.0° |
O1 | C1 | H1 | 109.5° | 109.4° |
O1 | C1 | H1A | 109.5° | 109.4° |
O1 | C1 | H1B | 109.4° | 109.4° |
O1 | C2 | C3 | 120.8° | 120.0° |
O1 | C2 | C7 | 119.6° | 120.0° |
C3 | C2 | C7 | 119.6° | 119.9° |
C2 | C3 | C4 | 118.4° | 119.9° |
C2 | C3 | H3 | 120.8° | 120.0° |
C2 | C7 | C6 | 120.8° | 119.9° |
C2 | C7 | H7 | 119.6° | 120.0° |
C3 | C4 | C5 | 122.8° | 120.1° |
C4 | C3 | H3 | 120.8° | 120.1° |
C3 | C4 | H4 | 118.6° | 120.0° |
C4 | C5 | C6 | 117.4° | 120.1° |
C4 | C5 | S8 | 121.0° | 119.9° |
C5 | C4 | H4 | 118.6° | 120.0° |
C6 | C5 | S8 | 121.5° | 119.9° |
C5 | C6 | C7 | 121.0° | 120.1° |
C5 | C6 | H6 | 119.5° | 120.0° |
C5 | S8 | O9 | 110.5° | 106.4° |
C5 | S8 | O10 | 112.3° | 106.4° |
C5 | S8 | N11 | 107.0° | 107.2° |
C7 | C6 | H6 | 119.5° | 119.9° |
C6 | C7 | H7 | 119.6° | 120.1° |
O9 | S8 | O10 | 111.8° | 123.1° |
O9 | S8 | N11 | 106.3° | 106.4° |
O10 | S8 | N11 | 108.7° | 106.4° |
S8 | N11 | C12 | 113.6° | 120.0° |
S8 | N11 | C16 | 115.0° | 120.0° |
C15 | C11 | C18 | 109.9° | 109.5° |
C11 | C15 | C13 | 108.0° | 109.5° |
C15 | C11 | H11 | 109.3° | 109.5° |
C15 | C11 | H11A | 109.3° | 109.5° |
C11 | C15 | H15 | 109.9° | 109.5° |
C11 | C15 | H15A | 109.9° | 109.5° |
C11 | C18 | C20 | 113.3° | 109.5° |
C18 | C11 | H11 | 109.3° | 109.5° |
C18 | C11 | H11A | 109.3° | 109.5° |
C11 | C18 | H18 | 108.2° | 109.5° |
C11 | C18 | H18A | 108.2° | 109.5° |
C12 | N11 | C16 | 112.9° | 120.0° |
N11 | C12 | C13 | 111.4° | 109.5° |
N11 | C12 | H12 | 108.8° | 109.5° |
N11 | C12 | H12A | 108.8° | 109.5° |
N11 | C16 | C17 | 110.4° | 109.5° |
N11 | C16 | H16 | 109.2° | 109.5° |
N11 | C16 | H16A | 109.2° | 109.5° |
C12 | C13 | C14 | 111.7° | 109.5° |
C12 | C13 | C15 | 109.4° | 109.5° |
C13 | C12 | H12 | 108.8° | 109.5° |
C13 | C12 | H12A | 108.8° | 109.4° |
C12 | C13 | H13 | 108.0° | 109.4° |
C14 | C13 | C15 | 109.2° | 109.5° |
C13 | C14 | C20 | 112.5° | 109.4° |
C14 | C13 | H13 | 108.1° | 109.4° |
C13 | C14 | H14 | 108.5° | 109.5° |
C13 | C14 | H14A | 108.5° | 109.4° |
C15 | C13 | H13 | 110.5° | 109.5° |
C13 | C15 | H15 | 110.0° | 109.5° |
C13 | C15 | H15A | 110.0° | 109.5° |
C14 | C20 | C18 | 114.3° | 109.5° |
C20 | C14 | H14 | 108.5° | 109.5° |
C20 | C14 | H14A | 108.5° | 109.5° |
C14 | C20 | H20 | 107.9° | 109.5° |
C14 | C20 | H20A | 107.9° | 109.4° |
C16 | C17 | O18 | 111.7° | 109.4° |
C16 | C17 | C19 | 112.7° | 109.5° |
C17 | C16 | H16 | 109.1° | 109.5° |
C17 | C16 | H16A | 109.1° | 109.4° |
C16 | C17 | H17 | 105.9° | 109.5° |
O18 | C17 | C19 | 110.3° | 109.5° |
O18 | C17 | H17 | 108.5° | 109.4° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 108.6° | 109.5° |
C17 | C19 | C32 | 114.0° | 109.5° |
C19 | C17 | H17 | 107.4° | 109.5° |
C17 | C19 | H19 | 106.4° | 109.5° |
C20 | C18 | H18 | 108.2° | 109.5° |
C20 | C18 | H18A | 108.2° | 109.5° |
C18 | C20 | H20 | 107.9° | 109.5° |
C18 | C20 | H20A | 107.9° | 109.5° |
N20 | C19 | C32 | 107.6° | 109.5° |
C19 | N20 | C21 | 126.5° | 120.0° |
N20 | C19 | H19 | 112.9° | 109.4° |
C19 | N20 | HN20 | 116.8° | 119.9° |
C19 | C32 | C38 | 109.0° | 109.5° |
C32 | C19 | H19 | 107.4° | 109.4° |
C19 | C32 | H32 | 109.6° | 109.5° |
C19 | C32 | H32A | 109.6° | 109.5° |
N20 | C21 | C22 | 117.2° | 119.9° |
N20 | C21 | O22 | 123.9° | 120.0° |
C21 | N20 | HN20 | 116.8° | 120.1° |
C22 | C21 | O22 | 118.5° | 120.1° |
C21 | C22 | C23 | 119.4° | 120.2° |
C21 | C22 | C27 | 120.4° | 120.1° |
C23 | C22 | C27 | 120.2° | 119.7° |
C22 | C23 | C24 | 121.8° | 120.0° |
C22 | C23 | H23 | 119.1° | 120.0° |
C22 | C27 | C26 | 118.3° | 119.8° |
C22 | C27 | H27 | 120.9° | 120.1° |
C23 | C24 | C25 | 117.7° | 120.2° |
C24 | C23 | H23 | 119.1° | 120.0° |
C23 | C24 | H24 | 121.1° | 119.9° |
C24 | C25 | C26 | 120.4° | 120.2° |
C25 | C24 | H24 | 121.1° | 119.9° |
C24 | C25 | H25 | 119.8° | 119.9° |
C25 | C26 | C27 | 121.5° | 120.0° |
C25 | C26 | O27 | 120.7° | 119.9° |
C26 | C25 | H25 | 119.8° | 119.9° |
C27 | C26 | O27 | 117.8° | 120.0° |
C26 | C27 | H27 | 120.8° | 120.1° |
C26 | O27 | HO27 | 109.5° | 114.0° |
C32 | C38 | C33 | 120.8° | 120.0° |
C32 | C38 | C37 | 121.0° | 120.0° |
C38 | C32 | H32 | 109.6° | 109.5° |
C38 | C32 | H32A | 109.6° | 109.4° |
C34 | C33 | C38 | 121.6° | 120.0° |
C33 | C34 | C35 | 119.5° | 120.0° |
C34 | C33 | H33 | 119.2° | 120.0° |
C33 | C34 | H34 | 120.3° | 120.0° |
C33 | C38 | C37 | 118.2° | 120.0° |
C38 | C33 | H33 | 119.2° | 120.0° |
C34 | C35 | C36 | 119.1° | 120.0° |
C35 | C34 | H34 | 120.2° | 120.0° |
C34 | C35 | H35 | 120.4° | 120.0° |
C35 | C36 | C37 | 121.0° | 120.1° |
C36 | C35 | H35 | 120.5° | 120.0° |
C35 | C36 | H36 | 119.5° | 120.0° |
C36 | C37 | C38 | 120.6° | 120.0° |
C37 | C36 | H36 | 119.5° | 120.0° |
C36 | C37 | H37 | 119.7° | 120.0° |
C38 | C37 | H37 | 119.7° | 120.0° |
H1 | C1 | H1A | 109.5° | 109.5° |
H1 | C1 | H1B | 109.5° | 109.5° |
H1A | C1 | H1B | 109.5° | 109.5° |
H11 | C11 | H11A | 109.6° | 109.4° |
H12 | C12 | H12A | 110.1° | 109.5° |
H14 | C14 | H14A | 110.5° | 109.5° |
H15 | C15 | H15A | 109.0° | 109.5° |
H16 | C16 | H16A | 109.8° | 109.4° |
H18 | C18 | H18A | 110.7° | 109.5° |
H20 | C20 | H20A | 111.0° | 109.5° |
H32 | C32 | H32A | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | O1 | C2 | C3 | 5.5° | 180.0° |
C1 | O1 | C2 | C7 | 174.5° | 0.2° |
O1 | C1 | H1 | H1A | 120.0° | 119.9° |
O1 | C1 | H1 | H1B | 120.0° | 120.0° |
O1 | C1 | H1A | H1B | 120.0° | 119.9° |
O1 | C2 | C3 | C7 | 179.9° | 179.8° |
O1 | C2 | C3 | C4 | 178.6° | 180.0° |
O1 | C2 | C7 | C6 | 178.8° | 179.7° |
C2 | O1 | C1 | H1 | 180.0° | 180.0° |
C2 | O1 | C1 | H1A | 60.0° | 60.0° |
C2 | O1 | C1 | H1B | 60.0° | 60.0° |
O1 | C2 | C3 | H3 | 1.4° | 0.0° |
O1 | C2 | C7 | H7 | 1.2° | 0.1° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 1.5° | 0.0° |
C3 | C2 | C7 | C6 | 1.1° | 0.5° |
C2 | C3 | C4 | H4 | 178.5° | 179.9° |
C3 | C2 | C7 | H7 | 178.8° | 179.7° |
C7 | C2 | C3 | C4 | 1.3° | 0.3° |
C2 | C7 | C6 | C5 | 1.0° | 0.5° |
C2 | C7 | C6 | H7 | 180.0° | 179.7° |
C7 | C2 | C3 | H3 | 178.7° | 179.8° |
C2 | C7 | C6 | H6 | 179.0° | 179.7° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 1.3° | 0.0° |
C3 | C4 | C5 | S8 | 177.9° | 180.0° |
C4 | C5 | C6 | S8 | 176.5° | 180.0° |
C4 | C5 | C6 | C7 | 1.1° | 0.3° |
C4 | C5 | S8 | O9 | 26.0° | 156.5° |
C4 | C5 | S8 | O10 | 151.6° | 23.6° |
C4 | C5 | S8 | N11 | 89.3° | 90.0° |
C5 | C4 | C3 | H3 | 178.5° | 179.9° |
C4 | C5 | C6 | H6 | 178.9° | 179.9° |
C5 | C6 | C7 | H6 | 180.0° | 179.8° |
C6 | C5 | S8 | O9 | 157.6° | 23.5° |
C6 | C5 | S8 | O10 | 32.0° | 156.5° |
C6 | C5 | S8 | N11 | 87.1° | 90.0° |
C6 | C5 | C4 | H4 | 178.7° | 180.0° |
C5 | C6 | C7 | H7 | 179.0° | 179.7° |
S8 | C5 | C6 | C7 | 177.6° | 179.7° |
C5 | S8 | O9 | O10 | 125.8° | 123.0° |
C5 | S8 | O9 | N11 | 115.8° | 114.1° |
C5 | S8 | O10 | N11 | 118.2° | 114.1° |
C5 | S8 | N11 | C12 | 44.5° | 90.0° |
C5 | S8 | N11 | C16 | 87.7° | 90.0° |
S8 | C5 | C4 | H4 | 2.1° | 0.1° |
S8 | C5 | C6 | H6 | 2.4° | 0.1° |
O9 | S8 | O10 | N11 | 117.0° | 122.9° |
O9 | S8 | N11 | C12 | 73.6° | 23.5° |
O9 | S8 | N11 | C16 | 154.3° | 156.4° |
O10 | S8 | N11 | C12 | 165.9° | 156.4° |
O10 | S8 | N11 | C16 | 33.8° | 23.5° |
S8 | N11 | C12 | C16 | 133.2° | 179.9° |
S8 | N11 | C12 | C13 | 140.1° | 94.9° |
S8 | N11 | C16 | C17 | 117.2° | 95.0° |
S8 | N11 | C12 | H12 | 20.1° | 145.0° |
S8 | N11 | C12 | H12A | 99.9° | 25.0° |
S8 | N11 | C16 | H16 | 122.8° | 144.9° |
S8 | N11 | C16 | H16A | 2.7° | 25.0° |
C15 | C11 | C18 | H11 | 120.0° | 120.0° |
C15 | C11 | C18 | H11A | 120.0° | 120.1° |
C11 | C15 | C13 | C12 | 172.3° | 180.0° |
C11 | C15 | C13 | C14 | 65.2° | 60.0° |
C11 | C15 | C13 | H15 | 120.0° | 120.0° |
C11 | C15 | C13 | H15A | 120.0° | 120.0° |
C15 | C11 | C18 | C20 | 52.7° | 60.0° |
C15 | C11 | H11 | H11A | 119.8° | 120.0° |
C11 | C15 | C13 | H13 | 53.6° | 60.0° |
C11 | C15 | H15 | H15A | 120.6° | 120.0° |
C15 | C11 | C18 | H18 | 67.3° | 60.0° |
C15 | C11 | C18 | H18A | 172.7° | 180.0° |
C18 | C11 | C15 | C13 | 63.7° | 60.0° |
C11 | C18 | C20 | C14 | 43.3° | 60.0° |
C11 | C18 | C20 | H18 | 120.0° | 120.0° |
C11 | C18 | C20 | H18A | 120.0° | 120.0° |
C18 | C11 | H11 | H11A | 119.8° | 119.9° |
C18 | C11 | C15 | H15 | 176.3° | 180.0° |
C18 | C11 | C15 | H15A | 56.3° | 60.0° |
C11 | C18 | H18 | H18A | 118.4° | 120.0° |
C11 | C18 | C20 | H20 | 76.7° | 60.0° |
C11 | C18 | C20 | H20A | 163.3° | 180.0° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.0° |
N11 | C12 | C13 | C14 | 53.5° | 175.0° |
N11 | C12 | C13 | C15 | 174.5° | 65.0° |
C12 | N11 | C16 | C17 | 110.3° | 85.1° |
N11 | C12 | H12 | H12A | 119.2° | 120.0° |
N11 | C12 | C13 | H13 | 65.2° | 55.1° |
C12 | N11 | C16 | H16 | 9.7° | 35.0° |
C12 | N11 | C16 | H16A | 129.7° | 155.0° |
C16 | N11 | C12 | C13 | 86.7° | 85.0° |
N11 | C16 | C17 | H16 | 120.0° | 120.1° |
N11 | C16 | C17 | H16A | 120.0° | 120.0° |
N11 | C16 | C17 | O18 | 164.9° | 65.0° |
N11 | C16 | C17 | C19 | 70.2° | 175.0° |
C16 | N11 | C12 | H12 | 153.3° | 35.0° |
C16 | N11 | C12 | H12A | 33.3° | 155.1° |
N11 | C16 | H16 | H16A | 119.6° | 120.0° |
N11 | C16 | C17 | H17 | 47.0° | 54.9° |
C12 | C13 | C14 | C15 | 121.1° | 120.0° |
C12 | C13 | C14 | H13 | 118.6° | 119.9° |
C12 | C13 | C15 | H13 | 118.7° | 120.0° |
C12 | C13 | C14 | C20 | 176.8° | 180.0° |
C13 | C12 | H12 | H12A | 119.2° | 120.0° |
C12 | C13 | C14 | H14 | 63.2° | 59.9° |
C12 | C13 | C14 | H14A | 56.8° | 60.0° |
C12 | C13 | C15 | H15 | 52.3° | 60.0° |
C12 | C13 | C15 | H15A | 67.7° | 60.0° |
C14 | C13 | C15 | H13 | 118.8° | 120.0° |
C13 | C14 | C20 | H14 | 120.0° | 120.0° |
C13 | C14 | C20 | H14A | 120.0° | 119.9° |
C13 | C14 | C20 | C18 | 44.7° | 60.0° |
C14 | C13 | C12 | H12 | 66.5° | 55.0° |
C14 | C13 | C12 | H12A | 173.5° | 65.0° |
C13 | C14 | H14 | H14A | 118.7° | 119.9° |
C14 | C13 | C15 | H15 | 174.8° | 180.0° |
C14 | C13 | C15 | H15A | 54.8° | 60.0° |
C13 | C14 | C20 | H20 | 75.3° | 60.0° |
C13 | C14 | C20 | H20A | 164.7° | 180.0° |
C15 | C13 | C14 | C20 | 55.7° | 60.0° |
C13 | C15 | C11 | H11 | 176.3° | 180.0° |
C13 | C15 | C11 | H11A | 56.3° | 60.0° |
C15 | C13 | C12 | H12 | 54.5° | 175.0° |
C15 | C13 | C12 | H12A | 65.5° | 55.0° |
C15 | C13 | C14 | H14 | 175.7° | 180.0° |
C15 | C13 | C14 | H14A | 64.3° | 60.0° |
C13 | C15 | H15 | H15A | 120.6° | 120.0° |
C14 | C20 | C18 | H20 | 120.0° | 120.0° |
C14 | C20 | C18 | H20A | 120.0° | 120.0° |
C20 | C14 | C13 | H13 | 64.6° | 60.0° |
C20 | C14 | H14 | H14A | 118.8° | 120.1° |
C14 | C20 | C18 | H18 | 76.7° | 60.0° |
C14 | C20 | C18 | H18A | 163.3° | 180.0° |
C14 | C20 | H20 | H20A | 118.0° | 119.9° |
C16 | C17 | O18 | C19 | 126.2° | 120.0° |
C16 | C17 | O18 | H17 | 116.3° | 120.0° |
C16 | C17 | C19 | H17 | 116.2° | 120.1° |
C16 | C17 | C19 | N20 | 168.3° | 175.0° |
C16 | C17 | C19 | C32 | 71.7° | 65.0° |
C17 | C16 | H16 | H16A | 119.6° | 120.0° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 46.5° | 55.0° |
O18 | C17 | C19 | H17 | 118.1° | 120.0° |
O18 | C17 | C19 | N20 | 66.0° | 65.0° |
O18 | C17 | C19 | C32 | 54.0° | 55.0° |
O18 | C17 | C16 | H16 | 44.9° | 55.0° |
O18 | C17 | C16 | H16A | 75.1° | 175.0° |
O18 | C17 | C19 | H19 | 172.1° | 175.0° |
C17 | C19 | N20 | C32 | 123.9° | 120.0° |
C17 | C19 | N20 | H19 | 117.8° | 120.0° |
C17 | C19 | C32 | H19 | 117.6° | 120.0° |
C17 | C19 | N20 | C21 | 114.1° | 155.0° |
C17 | C19 | C32 | C38 | 179.7° | 175.0° |
C19 | C17 | C16 | H16 | 169.8° | 65.0° |
C19 | C17 | C16 | H16A | 49.8° | 55.0° |
C19 | C17 | O18 | HO18 | 53.8° | 60.0° |
C17 | C19 | N20 | HN20 | 65.8° | 25.0° |
C17 | C19 | C32 | H32 | 60.4° | 65.0° |
C17 | C19 | C32 | H32A | 59.7° | 55.0° |
C20 | C18 | C11 | H11 | 172.7° | 180.0° |
C20 | C18 | C11 | H11A | 67.3° | 60.1° |
C18 | C20 | C14 | H14 | 164.7° | 180.0° |
C18 | C20 | C14 | H14A | 75.3° | 60.0° |
C20 | C18 | H18 | H18A | 118.5° | 120.0° |
C18 | C20 | H20 | H20A | 118.0° | 120.1° |
N20 | C19 | C32 | H19 | 121.9° | 119.9° |
C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
C19 | N20 | C21 | C22 | 160.7° | 180.0° |
C19 | N20 | C21 | O22 | 12.0° | 0.0° |
N20 | C19 | C32 | C38 | 59.9° | 65.0° |
N20 | C19 | C17 | H17 | 52.1° | 54.9° |
N20 | C19 | C32 | H32 | 60.1° | 55.0° |
N20 | C19 | C32 | H32A | 179.8° | 175.1° |
C32 | C19 | N20 | C21 | 122.0° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 106.6° | 90.0° |
C19 | C32 | C38 | C37 | 74.4° | 89.9° |
C32 | C19 | C17 | H17 | 172.0° | 175.0° |
C32 | C19 | N20 | HN20 | 58.0° | 95.0° |
C19 | C32 | H32 | H32A | 120.2° | 120.0° |
N20 | C21 | C22 | O22 | 173.1° | 180.0° |
N20 | C21 | C22 | C23 | 43.4° | 0.0° |
N20 | C21 | C22 | C27 | 136.5° | 179.7° |
C21 | N20 | C19 | H19 | 3.6° | 35.0° |
C21 | C22 | C23 | C27 | 179.9° | 179.7° |
C21 | C22 | C23 | C24 | 179.6° | 180.0° |
C21 | C22 | C27 | C26 | 178.6° | 179.7° |
C22 | C21 | N20 | HN20 | 19.3° | 0.0° |
C21 | C22 | C23 | H23 | 0.4° | 0.0° |
C21 | C22 | C27 | H27 | 1.4° | 0.0° |
O22 | C21 | C22 | C23 | 129.7° | 180.0° |
O22 | C21 | C22 | C27 | 50.4° | 0.3° |
O22 | C21 | N20 | HN20 | 168.0° | 180.0° |
C22 | C23 | C24 | H23 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 1.0° | 0.0° |
C23 | C22 | C27 | C26 | 1.5° | 0.6° |
C22 | C23 | C24 | H24 | 179.0° | 180.0° |
C23 | C22 | C27 | H27 | 178.5° | 179.7° |
C27 | C22 | C23 | C24 | 0.5° | 0.3° |
C22 | C27 | C26 | C25 | 1.1° | 0.6° |
C22 | C27 | C26 | H27 | 180.0° | 179.7° |
C22 | C27 | C26 | O27 | 179.3° | 179.7° |
C27 | C22 | C23 | H23 | 179.5° | 179.7° |
C23 | C24 | C25 | H24 | 180.0° | 180.0° |
C23 | C24 | C25 | C26 | 1.3° | 0.0° |
C23 | C24 | C25 | H25 | 178.7° | 180.0° |
C24 | C25 | C26 | H25 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 0.3° | 0.3° |
C24 | C25 | C26 | O27 | 179.2° | 180.0° |
C25 | C24 | C23 | H23 | 179.0° | 180.0° |
C25 | C26 | C27 | O27 | 179.6° | 179.7° |
C26 | C25 | C24 | H24 | 178.7° | 180.0° |
C25 | C26 | C27 | H27 | 178.9° | 179.6° |
C25 | C26 | O27 | HO27 | 180.0° | 90.0° |
C27 | C26 | C25 | H25 | 179.7° | 179.7° |
C27 | C26 | O27 | HO27 | 0.4° | 89.7° |
O27 | C26 | C25 | H25 | 0.8° | 0.0° |
O27 | C26 | C27 | H27 | 0.7° | 0.0° |
C32 | C38 | C33 | C34 | 179.5° | 180.0° |
C32 | C38 | C33 | C37 | 179.0° | 180.0° |
C32 | C38 | C37 | C36 | 179.6° | 180.0° |
C38 | C32 | C19 | H19 | 62.0° | 55.0° |
C38 | C32 | H32 | H32A | 120.2° | 120.0° |
C32 | C38 | C33 | H33 | 0.5° | 0.3° |
C32 | C38 | C37 | H37 | 0.4° | 0.1° |
C34 | C33 | C38 | H33 | 180.0° | 179.8° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 0.1° | 0.0° |
C34 | C33 | C38 | C37 | 1.5° | 0.0° |
C33 | C34 | C35 | H35 | 180.0° | 180.0° |
C38 | C33 | C34 | C35 | 0.8° | 0.0° |
C33 | C38 | C37 | C36 | 1.4° | 0.1° |
C33 | C38 | C32 | H32 | 13.4° | 30.0° |
C33 | C38 | C32 | H32A | 133.4° | 150.0° |
C38 | C33 | C34 | H34 | 179.2° | 180.0° |
C33 | C38 | C37 | H37 | 178.6° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C34 | C35 | C36 | C37 | 0.2° | 0.0° |
C35 | C34 | C33 | H33 | 179.2° | 179.7° |
C34 | C35 | C36 | H36 | 179.8° | 179.9° |
C35 | C36 | C37 | H36 | 180.0° | 179.9° |
C35 | C36 | C37 | C38 | 0.5° | 0.1° |
C36 | C35 | C34 | H34 | 180.0° | 180.0° |
C35 | C36 | C37 | H37 | 179.4° | 180.0° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 179.8° | 179.9° |
C37 | C38 | C32 | H32 | 165.6° | 150.0° |
C37 | C38 | C32 | H32A | 45.5° | 30.0° |
C37 | C38 | C33 | H33 | 178.5° | 179.8° |
C38 | C37 | C36 | H36 | 179.5° | 180.0° |
H1 | C1 | H1A | H1B | 120.0° | 120.1° |
H3 | C3 | C4 | H4 | 1.5° | 0.0° |
H6 | C6 | C7 | H7 | 1.1° | 0.1° |
H11 | C11 | C15 | H15 | 56.3° | 60.0° |
H11 | C11 | C15 | H15A | 63.7° | 60.0° |
H11 | C11 | C18 | H18 | 52.7° | 60.0° |
H11 | C11 | C18 | H18A | 67.3° | 60.0° |
H11A | C11 | C15 | H15 | 63.7° | 60.0° |
H11A | C11 | C15 | H15A | 176.3° | 180.0° |
H11A | C11 | C18 | H18 | 172.7° | 180.0° |
H11A | C11 | C18 | H18A | 52.7° | 60.0° |
H12 | C12 | C13 | H13 | 174.8° | 64.9° |
H12A | C12 | C13 | H13 | 54.8° | 175.0° |
H13 | C13 | C14 | H14 | 55.4° | 60.0° |
H13 | C13 | C14 | H14A | 175.4° | 180.0° |
H13 | C13 | C15 | H15 | 66.4° | 60.0° |
H13 | C13 | C15 | H15A | 173.6° | 180.0° |
H14 | C14 | C20 | H20 | 44.7° | 60.0° |
H14 | C14 | C20 | H20A | 75.4° | 60.0° |
H14A | C14 | C20 | H20 | 164.7° | 180.0° |
H14A | C14 | C20 | H20A | 44.7° | 60.1° |
H16 | C16 | C17 | H17 | 73.0° | 175.0° |
H16A | C16 | C17 | H17 | 167.0° | 65.1° |
H17 | C17 | O18 | HO18 | 63.6° | 180.0° |
H17 | C17 | C19 | H19 | 69.8° | 65.0° |
H18 | C18 | C20 | H20 | 163.3° | 180.0° |
H18 | C18 | C20 | H20A | 43.3° | 60.0° |
H18A | C18 | C20 | H20 | 43.3° | 60.0° |
H18A | C18 | C20 | H20A | 76.8° | 60.0° |
H19 | C19 | N20 | HN20 | 176.4° | 145.1° |
H19 | C19 | C32 | H32 | 178.0° | 175.0° |
H19 | C19 | C32 | H32A | 57.9° | 65.0° |
H23 | C23 | C24 | H24 | 1.0° | 0.0° |
H24 | C24 | C25 | H25 | 1.3° | 0.0° |
H33 | C33 | C34 | H34 | 0.8° | 0.3° |
H34 | C34 | C35 | H35 | 0.0° | 0.0° |
H35 | C35 | C36 | H36 | 0.2° | 0.0° |
H36 | C36 | C37 | H37 | 0.5° | 0.1° |