F71
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | doub | 1.30Å | 1.37Å | Aromatic |
C1 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
N1 | O1 | sing | 1.21Å | 1.35Å | Aromatic |
O1 | C3 | sing | 1.35Å | 1.36Å | Aromatic |
S1 | C2 | sing | 1.76Å | 1.73Å | Aromatic |
S1 | C5 | sing | 1.76Å | 1.75Å | Aromatic |
C2 | C3 | sing | 1.47Å | 1.50Å | Aromatic |
C2 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
C3 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.34Å | 1.39Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.68Å | |
C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.44Å | |
S8 | O10 | doub | 1.42Å | 1.41Å | |
S8 | N11 | sing | 1.66Å | 1.64Å | |
N11 | C12 | sing | 1.46Å | 1.49Å | |
N11 | C16 | sing | 1.47Å | 1.48Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | C15 | sing | 1.53Å | 1.52Å | |
C15 | C18 | sing | 1.53Å | 1.51Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
C17 | C19 | sing | 1.53Å | 1.52Å | |
C19 | N20 | sing | 1.47Å | 1.44Å | |
C19 | C32 | sing | 1.53Å | 1.54Å | |
N20 | C21 | sing | 1.35Å | 1.33Å | |
C21 | C22 | sing | 1.48Å | 1.50Å | |
C21 | O22 | doub | 1.22Å | 1.22Å | |
C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
C22 | C27 | sing | 1.40Å | 1.37Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | doub | 1.38Å | 1.39Å | 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 | 1.40Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.39Å | 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 | |
C14 | H14B | 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 | |
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) |
N1 | C1 | C4 | 110.1° | 106.6° |
C1 | N1 | O1 | 106.6° | 112.0° |
N1 | C1 | H1 | 124.9° | 126.7° |
C1 | C4 | C3 | 104.2° | 103.9° |
C4 | C1 | H1 | 124.9° | 126.7° |
C1 | C4 | H4 | 127.9° | 128.1° |
N1 | O1 | C3 | 109.3° | 111.4° |
O1 | C3 | C2 | 126.3° | 127.0° |
O1 | C3 | C4 | 109.7° | 106.0° |
C2 | S1 | C5 | 86.7° | 91.1° |
S1 | C2 | C3 | 119.0° | 125.3° |
S1 | C2 | C7 | 116.7° | 109.4° |
S1 | C5 | C6 | 115.3° | 110.0° |
S1 | C5 | S8 | 121.2° | 125.0° |
C3 | C2 | C7 | 124.3° | 125.3° |
C2 | C3 | C4 | 124.0° | 127.0° |
C2 | C7 | C6 | 110.0° | 114.4° |
C2 | C7 | H7 | 125.0° | 122.8° |
C3 | C4 | H4 | 127.9° | 128.0° |
C6 | C5 | S8 | 123.5° | 125.0° |
C5 | C6 | C7 | 111.4° | 115.2° |
C5 | C6 | H6 | 124.3° | 122.4° |
C5 | S8 | O9 | 107.6° | 106.3° |
C5 | S8 | O10 | 111.0° | 106.4° |
C5 | S8 | N11 | 112.8° | 107.2° |
C7 | C6 | H6 | 124.3° | 122.4° |
C6 | C7 | H7 | 125.0° | 122.8° |
O9 | S8 | O10 | 113.8° | 123.2° |
O9 | S8 | N11 | 105.1° | 106.4° |
O10 | S8 | N11 | 106.6° | 106.4° |
S8 | N11 | C12 | 113.9° | 120.0° |
S8 | N11 | C16 | 113.7° | 120.0° |
C12 | N11 | C16 | 113.0° | 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 | 108.9° | 109.5° |
N11 | C16 | H16 | 109.6° | 109.4° |
N11 | C16 | H16A | 109.7° | 109.4° |
C12 | C13 | C14 | 113.4° | 109.5° |
C12 | C13 | C15 | 110.0° | 109.5° |
C13 | C12 | H12 | 108.8° | 109.4° |
C13 | C12 | H12A | 108.8° | 109.4° |
C12 | C13 | H13 | 107.0° | 109.4° |
C14 | C13 | C15 | 111.2° | 109.5° |
C14 | C13 | H13 | 105.7° | 109.5° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H14A | 109.5° | 109.5° |
C13 | C14 | H14B | 109.5° | 109.5° |
C13 | C15 | C18 | 113.9° | 109.4° |
C15 | C13 | H13 | 109.4° | 109.5° |
C13 | C15 | H15 | 108.0° | 109.5° |
C13 | C15 | H15A | 108.0° | 109.5° |
C18 | C15 | H15 | 108.0° | 109.5° |
C18 | C15 | H15A | 108.0° | 109.4° |
C15 | C18 | H18 | 109.5° | 109.5° |
C15 | C18 | H18A | 109.5° | 109.5° |
C15 | C18 | H18B | 109.5° | 109.4° |
C16 | C17 | O18 | 110.4° | 109.5° |
C16 | C17 | C19 | 112.2° | 109.4° |
C17 | C16 | H16 | 109.7° | 109.5° |
C17 | C16 | H16A | 109.7° | 109.5° |
C16 | C17 | H17 | 107.2° | 109.5° |
O18 | C17 | C19 | 110.2° | 109.4° |
O18 | C17 | H17 | 109.3° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 108.3° | 109.4° |
C17 | C19 | C32 | 114.8° | 109.5° |
C19 | C17 | H17 | 107.4° | 109.4° |
C17 | C19 | H19 | 105.9° | 109.5° |
N20 | C19 | C32 | 106.7° | 109.5° |
C19 | N20 | C21 | 124.0° | 120.0° |
N20 | C19 | H19 | 114.0° | 109.5° |
C19 | N20 | HN20 | 118.0° | 120.0° |
C19 | C32 | C38 | 110.0° | 109.5° |
C32 | C19 | H19 | 107.4° | 109.5° |
C19 | C32 | H32 | 109.3° | 109.5° |
C19 | C32 | H32A | 109.3° | 109.5° |
N20 | C21 | C22 | 114.6° | 120.0° |
N20 | C21 | O22 | 125.0° | 120.0° |
C21 | N20 | HN20 | 118.0° | 120.0° |
C22 | C21 | O22 | 120.3° | 120.0° |
C21 | C22 | C23 | 119.4° | 120.1° |
C21 | C22 | C27 | 120.4° | 120.1° |
C23 | C22 | C27 | 120.2° | 119.8° |
C22 | C23 | C24 | 121.1° | 120.0° |
C22 | C23 | H23 | 119.4° | 120.0° |
C22 | C27 | C26 | 119.3° | 119.8° |
C22 | C27 | H27 | 120.4° | 120.1° |
C23 | C24 | C25 | 118.7° | 120.2° |
C24 | C23 | H23 | 119.4° | 120.1° |
C23 | C24 | H24 | 120.7° | 119.9° |
C24 | C25 | C26 | 119.5° | 120.2° |
C25 | C24 | H24 | 120.6° | 119.9° |
C24 | C25 | H25 | 120.2° | 119.9° |
C25 | C26 | C27 | 121.2° | 120.0° |
C25 | C26 | O27 | 120.7° | 120.0° |
C26 | C25 | H25 | 120.3° | 119.9° |
C27 | C26 | O27 | 118.1° | 120.0° |
C26 | C27 | H27 | 120.3° | 120.1° |
C26 | O27 | HO27 | 109.5° | 114.0° |
C32 | C38 | C33 | 119.9° | 120.0° |
C32 | C38 | C37 | 121.5° | 120.0° |
C38 | C32 | H32 | 109.3° | 109.5° |
C38 | C32 | H32A | 109.3° | 109.5° |
C34 | C33 | C38 | 120.7° | 120.0° |
C33 | C34 | C35 | 120.1° | 120.0° |
C34 | C33 | H33 | 119.7° | 120.0° |
C33 | C34 | H34 | 120.0° | 120.0° |
C33 | C38 | C37 | 118.6° | 120.0° |
C38 | C33 | H33 | 119.7° | 120.0° |
C34 | C35 | C36 | 119.5° | 120.0° |
C35 | C34 | H34 | 120.0° | 120.0° |
C34 | C35 | H35 | 120.2° | 120.0° |
C35 | C36 | C37 | 120.3° | 120.0° |
C36 | C35 | H35 | 120.2° | 120.0° |
C35 | C36 | H36 | 119.8° | 120.0° |
C36 | C37 | C38 | 120.7° | 120.0° |
C37 | C36 | H36 | 119.8° | 120.0° |
C36 | C37 | H37 | 119.6° | 120.0° |
C38 | C37 | H37 | 119.6° | 120.0° |
H12 | C12 | H12A | 110.1° | 109.5° |
H14 | C14 | H14A | 109.5° | 109.4° |
H14 | C14 | H14B | 109.5° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.5° |
H15 | C15 | H15A | 110.9° | 109.5° |
H16 | C16 | H16A | 109.3° | 109.5° |
H18 | C18 | H18A | 109.4° | 109.5° |
H18 | C18 | H18B | 109.5° | 109.5° |
H18A | C18 | H18B | 109.5° | 109.4° |
H32 | C32 | H32A | 109.7° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | C4 | H1 | 180.0° | 179.6° |
C1 | N1 | O1 | C3 | 0.8° | 0.0° |
N1 | C1 | C4 | C3 | 0.9° | 0.0° |
N1 | C1 | C4 | H4 | 179.1° | 179.9° |
C4 | C1 | N1 | O1 | 0.1° | 0.0° |
C1 | C4 | C3 | O1 | 1.4° | 0.0° |
C1 | C4 | C3 | C2 | 179.2° | 180.0° |
C1 | C4 | C3 | H4 | 180.0° | 180.0° |
N1 | O1 | C3 | C2 | 179.2° | 180.0° |
N1 | O1 | C3 | C4 | 1.5° | 0.0° |
O1 | N1 | C1 | H1 | 179.9° | 179.7° |
O1 | C3 | C2 | S1 | 180.0° | 179.9° |
O1 | C3 | C2 | C4 | 177.4° | 180.0° |
O1 | C3 | C2 | C7 | 0.2° | 0.0° |
O1 | C3 | C4 | H4 | 178.5° | 180.0° |
S1 | C2 | C3 | C7 | 179.8° | 180.0° |
S1 | C2 | C3 | C4 | 2.6° | 0.1° |
C2 | S1 | C5 | C6 | 0.3° | 0.0° |
C2 | S1 | C5 | S8 | 178.0° | 180.0° |
S1 | C2 | C7 | C6 | 0.5° | 0.0° |
S1 | C2 | C7 | H7 | 179.5° | 180.0° |
C5 | S1 | C2 | C3 | 180.0° | 180.0° |
C5 | S1 | C2 | C7 | 0.1° | 0.0° |
S1 | C5 | C6 | S8 | 177.6° | 180.0° |
S1 | C5 | C6 | C7 | 0.7° | 0.0° |
S1 | C5 | S8 | O9 | 27.7° | 23.5° |
S1 | C5 | S8 | O10 | 152.8° | 156.5° |
S1 | C5 | S8 | N11 | 87.7° | 90.0° |
S1 | C5 | C6 | H6 | 179.3° | 180.0° |
C3 | C2 | C7 | C6 | 179.6° | 180.0° |
C2 | C3 | C4 | H4 | 0.8° | 0.0° |
C3 | C2 | C7 | H7 | 0.4° | 0.0° |
C7 | C2 | C3 | C4 | 177.5° | 180.0° |
C2 | C7 | C6 | C5 | 0.8° | 0.0° |
C2 | C7 | C6 | H7 | 180.0° | 179.9° |
C2 | C7 | C6 | H6 | 179.3° | 180.0° |
C3 | C4 | C1 | H1 | 179.1° | 179.7° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C6 | C5 | S8 | O9 | 154.8° | 156.5° |
C6 | C5 | S8 | O10 | 29.8° | 23.5° |
C6 | C5 | S8 | N11 | 89.8° | 90.0° |
C5 | C6 | C7 | H7 | 179.3° | 180.0° |
S8 | C5 | C6 | C7 | 178.3° | 180.0° |
C5 | S8 | O9 | O10 | 123.4° | 123.0° |
C5 | S8 | O9 | N11 | 120.4° | 114.1° |
C5 | S8 | O10 | N11 | 123.2° | 114.1° |
C5 | S8 | N11 | C12 | 52.4° | 89.9° |
C5 | S8 | N11 | C16 | 79.1° | 90.0° |
S8 | C5 | C6 | H6 | 1.7° | 0.0° |
O9 | S8 | O10 | N11 | 115.4° | 123.0° |
O9 | S8 | N11 | C12 | 64.5° | 23.5° |
O9 | S8 | N11 | C16 | 164.0° | 156.5° |
O10 | S8 | N11 | C12 | 174.4° | 156.5° |
O10 | S8 | N11 | C16 | 42.9° | 23.6° |
S8 | N11 | C12 | C16 | 131.8° | 179.9° |
S8 | N11 | C12 | C13 | 148.1° | 93.4° |
S8 | N11 | C16 | C17 | 119.4° | 94.0° |
S8 | N11 | C12 | H12 | 28.1° | 146.7° |
S8 | N11 | C12 | H12A | 91.9° | 26.6° |
S8 | N11 | C16 | H16 | 120.5° | 146.0° |
S8 | N11 | C16 | H16A | 0.6° | 26.0° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.0° |
N11 | C12 | C13 | C14 | 58.9° | 65.3° |
N11 | C12 | C13 | C15 | 175.9° | 174.7° |
C12 | N11 | C16 | C17 | 108.7° | 85.9° |
N11 | C12 | H12 | H12A | 119.2° | 120.1° |
N11 | C12 | C13 | H13 | 57.2° | 54.7° |
C12 | N11 | C16 | H16 | 11.4° | 34.1° |
C12 | N11 | C16 | H16A | 131.3° | 154.1° |
C16 | N11 | C12 | C13 | 80.1° | 86.7° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 120.0° | 120.0° |
N11 | C16 | C17 | O18 | 169.4° | 65.0° |
N11 | C16 | C17 | C19 | 67.3° | 175.0° |
C16 | N11 | C12 | H12 | 159.9° | 33.3° |
C16 | N11 | C12 | H12A | 39.9° | 153.3° |
N11 | C16 | H16 | H16A | 120.2° | 119.9° |
N11 | C16 | C17 | H17 | 50.4° | 55.1° |
C12 | C13 | C14 | C15 | 124.5° | 120.0° |
C12 | C13 | C14 | H13 | 116.9° | 120.0° |
C12 | C13 | C15 | H13 | 117.2° | 120.0° |
C12 | C13 | C15 | C18 | 61.8° | 175.0° |
C13 | C12 | H12 | H12A | 119.2° | 119.9° |
C12 | C13 | C14 | H14 | 180.0° | 173.1° |
C12 | C13 | C14 | H14A | 60.0° | 67.0° |
C12 | C13 | C14 | H14B | 60.0° | 53.1° |
C12 | C13 | C15 | H15 | 58.2° | 65.0° |
C12 | C13 | C15 | H15A | 178.3° | 55.0° |
C14 | C13 | C15 | H13 | 116.3° | 120.0° |
C14 | C13 | C15 | C18 | 64.6° | 65.0° |
C14 | C13 | C12 | H12 | 61.1° | 54.7° |
C14 | C13 | C12 | H12A | 178.8° | 174.7° |
C13 | C14 | H14 | H14A | 120.0° | 120.0° |
C13 | C14 | H14 | H14B | 120.0° | 120.0° |
C13 | C14 | H14A | H14B | 120.0° | 120.0° |
C14 | C13 | C15 | H15 | 175.3° | 55.0° |
C14 | C13 | C15 | H15A | 55.3° | 175.0° |
C13 | C15 | C18 | H15 | 120.0° | 120.0° |
C13 | C15 | C18 | H15A | 120.0° | 120.0° |
C15 | C13 | C12 | H12 | 64.1° | 65.3° |
C15 | C13 | C12 | H12A | 56.0° | 54.7° |
C15 | C13 | C14 | H14 | 55.5° | 53.1° |
C15 | C13 | C14 | H14A | 175.4° | 173.0° |
C15 | C13 | C14 | H14B | 64.5° | 67.0° |
C13 | C15 | H15 | H15A | 118.2° | 120.0° |
C13 | C15 | C18 | H18 | 180.0° | 60.0° |
C13 | C15 | C18 | H18A | 60.0° | 60.0° |
C13 | C15 | C18 | H18B | 60.0° | 180.0° |
C18 | C15 | C13 | H13 | 179.0° | 55.0° |
C18 | C15 | H15 | H15A | 118.2° | 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 | 124.5° | 120.0° |
C16 | C17 | O18 | H17 | 117.7° | 120.1° |
C16 | C17 | C19 | H17 | 117.5° | 120.0° |
C16 | C17 | C19 | N20 | 167.2° | 175.0° |
C16 | C17 | C19 | C32 | 73.8° | 65.0° |
C17 | C16 | H16 | H16A | 120.2° | 120.1° |
C16 | C17 | O18 | HO18 | 180.0° | 59.9° |
C16 | C17 | C19 | H19 | 44.5° | 55.0° |
O18 | C17 | C19 | H17 | 119.0° | 120.0° |
O18 | C17 | C19 | N20 | 69.4° | 65.0° |
O18 | C17 | C19 | C32 | 49.7° | 55.0° |
O18 | C17 | C16 | H16 | 49.4° | 54.9° |
O18 | C17 | C16 | H16A | 70.6° | 175.0° |
O18 | C17 | C19 | H19 | 168.0° | 175.0° |
C17 | C19 | N20 | C32 | 124.0° | 120.0° |
C17 | C19 | N20 | H19 | 117.5° | 120.0° |
C17 | C19 | C32 | H19 | 117.4° | 120.0° |
C17 | C19 | N20 | C21 | 114.2° | 155.0° |
C17 | C19 | C32 | C38 | 179.4° | 175.0° |
C19 | C17 | C16 | H16 | 172.7° | 65.0° |
C19 | C17 | C16 | H16A | 52.7° | 55.0° |
C19 | C17 | O18 | HO18 | 55.5° | 60.0° |
C17 | C19 | N20 | HN20 | 65.8° | 25.0° |
C17 | C19 | C32 | H32 | 59.4° | 64.9° |
C17 | C19 | C32 | H32A | 60.6° | 55.0° |
N20 | C19 | C32 | H19 | 122.7° | 120.0° |
C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
C19 | N20 | C21 | C22 | 163.0° | 180.0° |
C19 | N20 | C21 | O22 | 12.3° | 0.0° |
N20 | C19 | C32 | C38 | 59.5° | 65.0° |
N20 | C19 | C17 | H17 | 49.6° | 55.0° |
N20 | C19 | C32 | H32 | 60.5° | 55.0° |
N20 | C19 | C32 | H32A | 179.4° | 174.9° |
C32 | C19 | N20 | C21 | 121.7° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 109.1° | 90.0° |
C19 | C32 | C38 | C37 | 71.0° | 90.0° |
C32 | C19 | C17 | H17 | 168.7° | 175.0° |
C32 | C19 | N20 | HN20 | 58.2° | 95.0° |
C19 | C32 | H32 | H32A | 119.8° | 119.9° |
N20 | C21 | C22 | O22 | 175.5° | 180.0° |
N20 | C21 | C22 | C23 | 48.9° | 0.0° |
N20 | C21 | C22 | C27 | 129.7° | 179.8° |
C21 | N20 | C19 | H19 | 3.3° | 35.0° |
C21 | C22 | C23 | C27 | 178.6° | 179.8° |
C21 | C22 | C23 | C24 | 178.9° | 180.0° |
C21 | C22 | C27 | C26 | 179.6° | 179.7° |
C22 | C21 | N20 | HN20 | 17.0° | 0.0° |
C21 | C22 | C23 | H23 | 1.1° | 0.0° |
C21 | C22 | C27 | H27 | 0.4° | 0.0° |
O22 | C21 | C22 | C23 | 126.6° | 180.0° |
O22 | C21 | C22 | C27 | 54.7° | 0.3° |
O22 | C21 | N20 | HN20 | 167.7° | 179.9° |
C22 | C23 | C24 | H23 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 0.4° | 0.0° |
C23 | C22 | C27 | C26 | 1.0° | 0.5° |
C22 | C23 | C24 | H24 | 179.6° | 180.0° |
C23 | C22 | C27 | H27 | 179.0° | 179.7° |
C27 | C22 | C23 | C24 | 0.3° | 0.2° |
C22 | C27 | C26 | C25 | 1.1° | 0.6° |
C22 | C27 | C26 | H27 | 180.0° | 179.7° |
C22 | C27 | C26 | O27 | 179.5° | 179.7° |
C27 | C22 | C23 | H23 | 179.7° | 179.8° |
C23 | C24 | C25 | H24 | 180.0° | 180.0° |
C23 | C24 | C25 | C26 | 0.4° | 0.0° |
C23 | C24 | C25 | H25 | 179.6° | 180.0° |
C24 | C25 | C26 | H25 | 180.0° | 179.9° |
C24 | C25 | C26 | C27 | 0.4° | 0.3° |
C24 | C25 | C26 | O27 | 179.7° | 179.9° |
C25 | C24 | C23 | H23 | 179.6° | 180.0° |
C25 | C26 | C27 | O27 | 179.4° | 179.7° |
C26 | C25 | C24 | H24 | 179.7° | 179.9° |
C25 | C26 | C27 | H27 | 178.9° | 179.7° |
C25 | C26 | O27 | HO27 | 180.0° | 90.0° |
C27 | C26 | C25 | H25 | 179.6° | 179.7° |
C27 | C26 | O27 | HO27 | 0.7° | 89.7° |
O27 | C26 | C25 | H25 | 0.3° | 0.0° |
O27 | C26 | C27 | H27 | 0.4° | 0.0° |
C32 | C38 | C33 | C34 | 179.5° | 180.0° |
C32 | C38 | C33 | C37 | 180.0° | 180.0° |
C32 | C38 | C37 | C36 | 179.8° | 180.0° |
C38 | C32 | C19 | H19 | 63.2° | 55.0° |
C38 | C32 | H32 | H32A | 119.8° | 120.0° |
C32 | C38 | C33 | H33 | 0.6° | 0.3° |
C32 | C38 | C37 | H37 | 0.2° | 0.0° |
C34 | C33 | C38 | H33 | 180.0° | 179.7° |
C33 | C34 | C35 | H34 | 180.0° | 179.9° |
C33 | C34 | C35 | C36 | 0.6° | 0.0° |
C34 | C33 | C38 | C37 | 0.6° | NaN° |
C33 | C34 | C35 | H35 | 179.4° | 179.9° |
C38 | C33 | C34 | C35 | 0.1° | 0.0° |
C33 | C38 | C37 | C36 | 0.3° | 0.0° |
C33 | C38 | C32 | H32 | 10.9° | 30.0° |
C33 | C38 | C32 | H32A | 130.9° | 150.0° |
C38 | C33 | C34 | H34 | 179.9° | 180.0° |
C33 | C38 | C37 | H37 | 179.7° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C34 | C35 | C36 | C37 | 0.9° | 0.0° |
C35 | C34 | C33 | H33 | 179.8° | 179.7° |
C34 | C35 | C36 | H36 | 179.1° | 179.9° |
C35 | C36 | C37 | H36 | 180.0° | 179.9° |
C35 | C36 | C37 | C38 | 0.5° | 0.0° |
C36 | C35 | C34 | H34 | 179.4° | 180.0° |
C35 | C36 | C37 | H37 | 179.5° | 180.0° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 179.1° | 180.0° |
C37 | C38 | C32 | H32 | 169.0° | 150.0° |
C37 | C38 | C32 | H32A | 49.0° | 30.0° |
C37 | C38 | C33 | H33 | 179.4° | 179.7° |
C38 | C37 | C36 | H36 | 179.5° | 179.9° |
H1 | C1 | C4 | H4 | 1.0° | 0.3° |
H6 | C6 | C7 | H7 | 0.7° | 0.0° |
H12 | C12 | C13 | H13 | 177.2° | 174.7° |
H12A | C12 | C13 | H13 | 62.7° | 65.3° |
H13 | C13 | C14 | H14 | 63.1° | 66.9° |
H13 | C13 | C14 | H14A | 56.9° | 53.0° |
H13 | C13 | C14 | H14B | 176.9° | 173.0° |
H13 | C13 | C15 | H15 | 59.0° | 175.0° |
H13 | C13 | C15 | H15A | 61.0° | 64.9° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
H15 | C15 | C18 | H18 | 60.0° | 180.0° |
H15 | C15 | C18 | H18A | 180.0° | 59.9° |
H15 | C15 | C18 | H18B | 60.0° | 60.0° |
H15A | C15 | C18 | H18 | 60.0° | 60.0° |
H15A | C15 | C18 | H18A | 60.0° | 180.0° |
H15A | C15 | C18 | H18B | 180.0° | 60.0° |
H16 | C16 | C17 | H17 | 69.6° | 175.0° |
H16A | C16 | C17 | H17 | 170.4° | 64.9° |
H17 | C17 | O18 | HO18 | 62.3° | 180.0° |
H17 | C17 | C19 | H19 | 73.0° | 65.0° |
H18 | C18 | H18A | H18B | 120.0° | 120.0° |
H19 | C19 | N20 | HN20 | 176.7° | 144.9° |
H19 | C19 | C32 | H32 | 176.8° | 175.1° |
H19 | C19 | C32 | H32A | 56.8° | 65.0° |
H23 | C23 | C24 | H24 | 0.4° | 0.0° |
H24 | C24 | C25 | H25 | 0.3° | 0.0° |
H33 | C33 | C34 | H34 | 0.2° | 0.3° |
H34 | C34 | C35 | H35 | 0.6° | 0.0° |
H35 | C35 | C36 | H36 | 0.9° | 0.0° |
H36 | C36 | C37 | H37 | 0.4° | 0.0° |