PRD_000946
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | doub | 1.28Å | 1.33Å | Aromatic |
C1 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
N1 | C2 | sing | 1.35Å | 1.36Å | 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 | 1.40Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.64Å | |
C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.43Å | |
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 | 1.49Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C18 | sing | 1.53Å | 1.51Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C17 | O18 | sing | 1.43Å | 1.42Å | |
C17 | C19 | sing | 1.53Å | 1.54Å | |
C19 | N20 | sing | 1.46Å | 1.46Å | |
C19 | C32 | sing | 1.53Å | 1.53Å | |
N20 | C21 | sing | 1.35Å | 1.33Å | |
C21 | C22 | sing | 1.51Å | 1.52Å | |
C21 | O22 | doub | 1.21Å | 1.23Å | |
C22 | C23 | sing | 1.53Å | 1.52Å | |
C22 | N27 | sing | 1.46Å | 1.45Å | |
C23 | C24 | sing | 1.53Å | 1.52Å | |
C23 | C25 | sing | 1.53Å | 1.53Å | |
C25 | C26 | sing | 1.53Å | 1.51Å | |
C27 | N27 | sing | 1.35Å | 1.33Å | |
C27 | O27 | doub | 1.21Å | 1.23Å | |
C27 | C28 | sing | 1.51Å | 1.50Å | |
C32 | C38 | sing | 1.51Å | 1.51Å | |
C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.38Å | 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 | 1.39Å | 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 | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H24A | sing | 1.09Å | 1.10Å | |
C24 | H24B | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C26 | H26B | sing | 1.09Å | 1.10Å | |
N27 | HN27 | sing | 0.97Å | 1.00Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H28A | sing | 1.09Å | 1.10Å | |
C28 | H28B | 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 | 115.1° | 111.5° |
C1 | N1 | C2 | 113.7° | 117.8° |
N1 | C1 | H1 | 122.4° | 124.2° |
C1 | S1 | C3 | 86.1° | 90.8° |
S1 | C1 | H1 | 122.4° | 124.3° |
N1 | C2 | C3 | 108.8° | 111.8° |
N1 | C2 | C7 | 130.2° | 129.7° |
S1 | C3 | C2 | 116.2° | 108.0° |
S1 | C3 | C4 | 125.2° | 131.7° |
C3 | C2 | C7 | 121.0° | 118.5° |
C2 | C3 | C4 | 118.6° | 120.3° |
C2 | C7 | C6 | 120.0° | 120.4° |
C2 | C7 | H7 | 120.0° | 119.8° |
C3 | C4 | C5 | 121.3° | 119.9° |
C3 | C4 | H4 | 119.3° | 120.0° |
C4 | C5 | C6 | 118.6° | 120.0° |
C4 | C5 | S8 | 123.2° | 119.9° |
C5 | C4 | H4 | 119.4° | 120.1° |
C6 | C5 | S8 | 118.2° | 120.0° |
C5 | C6 | C7 | 120.5° | 120.8° |
C5 | C6 | H6 | 119.8° | 119.6° |
C5 | S8 | O9 | 112.1° | 106.4° |
C5 | S8 | O10 | 111.7° | 106.4° |
C5 | S8 | N11 | 109.4° | 107.2° |
C7 | C6 | H6 | 119.7° | 119.6° |
C6 | C7 | H7 | 120.0° | 119.8° |
O9 | S8 | O10 | 111.1° | 123.2° |
O9 | S8 | N11 | 105.7° | 106.4° |
O10 | S8 | N11 | 106.5° | 106.5° |
S8 | N11 | C12 | 114.8° | 120.0° |
S8 | N11 | C16 | 115.5° | 120.0° |
C12 | N11 | C16 | 114.1° | 120.0° |
N11 | C12 | C13 | 112.8° | 109.5° |
N11 | C12 | H12 | 108.4° | 109.4° |
N11 | C12 | H12A | 108.4° | 109.5° |
N11 | C16 | C17 | 109.9° | 109.5° |
N11 | C16 | H16 | 109.3° | 109.5° |
N11 | C16 | H16A | 109.3° | 109.5° |
C12 | C13 | C14 | 112.9° | 109.5° |
C12 | C13 | C15 | 109.5° | 109.5° |
C13 | C12 | H12 | 108.4° | 109.4° |
C13 | C12 | H12A | 108.4° | 109.5° |
C12 | C13 | H13 | 107.0° | 109.5° |
C14 | C13 | C15 | 109.1° | 109.5° |
C14 | C13 | H13 | 107.4° | 109.4° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H14A | 109.5° | 109.5° |
C13 | C14 | H14B | 109.4° | 109.5° |
C13 | C15 | C18 | 110.7° | 109.5° |
C15 | C13 | H13 | 111.0° | 109.4° |
C13 | C15 | H15 | 109.0° | 109.5° |
C13 | C15 | H15A | 109.0° | 109.4° |
C18 | C15 | H15 | 109.1° | 109.5° |
C18 | C15 | H15A | 109.0° | 109.5° |
C15 | C18 | H18 | 109.5° | 109.5° |
C15 | C18 | H18A | 109.5° | 109.5° |
C15 | C18 | H18B | 109.5° | 109.5° |
C16 | C17 | O18 | 109.2° | 109.5° |
C16 | C17 | C19 | 114.2° | 109.5° |
C17 | C16 | H16 | 109.3° | 109.4° |
C17 | C16 | H16A | 109.3° | 109.5° |
C16 | C17 | H17 | 106.5° | 109.4° |
O18 | C17 | C19 | 109.9° | 109.5° |
O18 | C17 | H17 | 111.2° | 109.4° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 109.2° | 109.5° |
C17 | C19 | C32 | 113.2° | 109.5° |
C19 | C17 | H17 | 105.7° | 109.5° |
C17 | C19 | H19 | 107.4° | 109.5° |
N20 | C19 | C32 | 110.4° | 109.4° |
C19 | N20 | C21 | 125.6° | 120.0° |
N20 | C19 | H19 | 110.4° | 109.5° |
C19 | N20 | HN20 | 117.2° | 120.0° |
C19 | C32 | C38 | 107.5° | 109.5° |
C32 | C19 | H19 | 106.1° | 109.4° |
C19 | C32 | H32 | 110.1° | 109.5° |
C19 | C32 | H32A | 110.1° | 109.5° |
N20 | C21 | C22 | 116.4° | 120.0° |
N20 | C21 | O22 | 124.0° | 120.0° |
C21 | N20 | HN20 | 117.2° | 120.0° |
C22 | C21 | O22 | 119.5° | 120.0° |
C21 | C22 | C23 | 108.6° | 109.5° |
C21 | C22 | N27 | 111.0° | 109.5° |
C21 | C22 | H22 | 109.5° | 109.5° |
C23 | C22 | N27 | 110.8° | 109.5° |
C22 | C23 | C24 | 109.2° | 109.5° |
C22 | C23 | C25 | 114.5° | 109.4° |
C23 | C22 | H22 | 109.7° | 109.4° |
C22 | C23 | H23 | 106.6° | 109.5° |
C22 | N27 | C27 | 124.1° | 120.0° |
N27 | C22 | H22 | 107.3° | 109.5° |
C22 | N27 | HN27 | 117.9° | 120.0° |
C24 | C23 | C25 | 110.9° | 109.4° |
C24 | C23 | H23 | 110.6° | 109.5° |
C23 | C24 | H24 | 109.5° | 109.5° |
C23 | C24 | H24A | 109.5° | 109.4° |
C23 | C24 | H24B | 109.5° | 109.5° |
C23 | C25 | C26 | 111.5° | 109.5° |
C25 | C23 | H23 | 104.9° | 109.5° |
C23 | C25 | H25 | 108.8° | 109.5° |
C23 | C25 | H25A | 108.8° | 109.5° |
C26 | C25 | H25 | 108.8° | 109.4° |
C26 | C25 | H25A | 108.8° | 109.5° |
C25 | C26 | H26 | 109.5° | 109.4° |
C25 | C26 | H26A | 109.5° | 109.5° |
C25 | C26 | H26B | 109.4° | 109.5° |
N27 | C27 | O27 | 123.2° | 120.0° |
N27 | C27 | C28 | 115.5° | 120.0° |
C27 | N27 | HN27 | 117.9° | 119.9° |
O27 | C27 | C28 | 121.4° | 120.0° |
C27 | C28 | H28 | 109.5° | 109.5° |
C27 | C28 | H28A | 109.5° | 109.5° |
C27 | C28 | H28B | 109.4° | 109.4° |
C32 | C38 | C33 | 119.5° | 120.0° |
C32 | C38 | C37 | 121.0° | 120.0° |
C38 | C32 | H32 | 110.1° | 109.4° |
C38 | C32 | H32A | 110.1° | 109.5° |
C34 | C33 | C38 | 121.4° | 119.9° |
C33 | C34 | C35 | 118.8° | 120.0° |
C34 | C33 | H33 | 119.3° | 120.0° |
C33 | C34 | H34 | 120.6° | 119.9° |
C33 | C38 | C37 | 119.5° | 120.0° |
C38 | C33 | H33 | 119.3° | 120.0° |
C34 | C35 | C36 | 120.5° | 120.0° |
C35 | C34 | H34 | 120.6° | 120.0° |
C34 | C35 | H35 | 119.8° | 120.0° |
C35 | C36 | C37 | 120.1° | 120.0° |
C36 | C35 | H35 | 119.8° | 120.0° |
C35 | C36 | H36 | 119.9° | 120.0° |
C36 | C37 | C38 | 119.6° | 120.0° |
C37 | C36 | H36 | 119.9° | 120.0° |
C36 | C37 | H37 | 120.2° | 120.0° |
C38 | C37 | H37 | 120.2° | 120.0° |
H12 | C12 | H12A | 110.6° | 109.4° |
H14 | C14 | H14A | 109.5° | 109.4° |
H14 | C14 | H14B | 109.5° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.5° |
H15 | C15 | H15A | 109.9° | 109.5° |
H16 | C16 | H16A | 109.6° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.4° |
H18 | C18 | H18B | 109.5° | 109.5° |
H18A | C18 | H18B | 109.5° | 109.4° |
H24 | C24 | H24A | 109.5° | 109.4° |
H24 | C24 | H24B | 109.4° | 109.4° |
H24A | C24 | H24B | 109.5° | 109.4° |
H25 | C25 | H25A | 110.1° | 109.5° |
H26 | C26 | H26A | 109.4° | 109.4° |
H26 | C26 | H26B | 109.5° | 109.5° |
H26A | C26 | H26B | 109.5° | 109.5° |
H28 | C28 | H28A | 109.5° | 109.5° |
H28 | C28 | H28B | 109.5° | 109.4° |
H28A | C28 | H28B | 109.5° | 109.5° |
H32 | C32 | H32A | 108.8° | 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 | 1.1° | 0.0° |
C1 | N1 | C2 | C3 | 1.7° | 0.1° |
C1 | N1 | C2 | C7 | 178.9° | 180.0° |
S1 | C1 | N1 | C2 | 1.9° | 0.0° |
C1 | S1 | C3 | C2 | 0.1° | 0.0° |
C1 | S1 | C3 | C4 | 179.6° | 180.0° |
N1 | C2 | C3 | S1 | 0.9° | 0.1° |
N1 | C2 | C3 | C7 | 179.5° | 180.0° |
N1 | C2 | C3 | C4 | 179.4° | 180.0° |
N1 | C2 | C7 | C6 | 179.3° | 179.9° |
C2 | N1 | C1 | H1 | 178.1° | 179.7° |
N1 | C2 | C7 | H7 | 0.7° | 0.1° |
S1 | C3 | C2 | C4 | 179.7° | 180.0° |
S1 | C3 | C2 | C7 | 179.7° | 180.0° |
S1 | C3 | C4 | C5 | 179.7° | 180.0° |
C3 | S1 | C1 | H1 | 178.9° | 179.7° |
S1 | C3 | C4 | H4 | 0.3° | 0.0° |
C2 | C3 | C4 | C5 | 0.0° | 0.0° |
C3 | C2 | C7 | C6 | 0.0° | 0.1° |
C2 | C3 | C4 | H4 | 180.0° | 180.0° |
C3 | C2 | C7 | H7 | 180.0° | 180.0° |
C7 | C2 | C3 | C4 | 0.1° | 0.0° |
C2 | C7 | C6 | C5 | 0.1° | 0.1° |
C2 | C7 | C6 | H7 | 180.0° | 180.0° |
C2 | C7 | C6 | H6 | 179.9° | 180.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.2° | 0.0° |
C3 | C4 | C5 | S8 | 176.8° | 180.0° |
C4 | C5 | C6 | S8 | 177.1° | 180.0° |
C4 | C5 | C6 | C7 | 0.2° | 0.1° |
C4 | C5 | S8 | O9 | 30.5° | 156.5° |
C4 | C5 | S8 | O10 | 155.9° | 23.6° |
C4 | C5 | S8 | N11 | 86.4° | 90.1° |
C4 | C5 | C6 | H6 | 179.8° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.9° |
C6 | C5 | S8 | O9 | 152.5° | 23.5° |
C6 | C5 | S8 | O10 | 27.1° | 156.4° |
C6 | C5 | S8 | N11 | 90.6° | 90.0° |
C6 | C5 | C4 | H4 | 179.8° | 179.9° |
C5 | C6 | C7 | H7 | 179.9° | 179.9° |
S8 | C5 | C6 | C7 | 176.9° | 179.9° |
C5 | S8 | O9 | O10 | 125.8° | 122.9° |
C5 | S8 | O9 | N11 | 119.1° | 114.1° |
C5 | S8 | O10 | N11 | 119.4° | 114.1° |
C5 | S8 | N11 | C12 | 52.5° | 90.0° |
C5 | S8 | N11 | C16 | 83.4° | 90.0° |
S8 | C5 | C4 | H4 | 3.2° | 0.0° |
S8 | C5 | C6 | H6 | 3.1° | 0.0° |
O9 | S8 | O10 | N11 | 114.6° | 123.0° |
O9 | S8 | N11 | C12 | 68.3° | 23.5° |
O9 | S8 | N11 | C16 | 155.7° | 156.5° |
O10 | S8 | N11 | C12 | 173.4° | 156.4° |
O10 | S8 | N11 | C16 | 37.5° | 23.5° |
S8 | N11 | C12 | C16 | 136.6° | 180.0° |
S8 | N11 | C12 | C13 | 139.9° | 93.3° |
S8 | N11 | C16 | C17 | 118.1° | 99.6° |
S8 | N11 | C12 | H12 | 19.9° | 146.8° |
S8 | N11 | C12 | H12A | 100.1° | 26.8° |
S8 | N11 | C16 | H16 | 121.9° | 140.5° |
S8 | N11 | C16 | H16A | 1.9° | 20.4° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.1° |
N11 | C12 | C13 | C14 | 53.3° | 65.6° |
N11 | C12 | C13 | C15 | 175.1° | 174.4° |
C12 | N11 | C16 | C17 | 105.6° | 80.4° |
N11 | C12 | H12 | H12A | 118.7° | 120.0° |
N11 | C12 | C13 | H13 | 64.6° | 54.4° |
C12 | N11 | C16 | H16 | 14.4° | 39.5° |
C12 | N11 | C16 | H16A | 134.4° | 159.5° |
C16 | N11 | C12 | C13 | 83.4° | 86.7° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 120.0° | 120.1° |
N11 | C16 | C17 | O18 | 169.9° | 64.9° |
N11 | C16 | C17 | C19 | 66.6° | 175.0° |
C16 | N11 | C12 | H12 | 156.6° | 33.3° |
C16 | N11 | C12 | H12A | 36.5° | 153.2° |
N11 | C16 | H16 | H16A | 119.8° | 120.0° |
N11 | C16 | C17 | H17 | 49.8° | 55.0° |
C12 | C13 | C14 | C15 | 122.0° | 120.1° |
C12 | C13 | C14 | H13 | 117.7° | 120.0° |
C12 | C13 | C15 | H13 | 117.9° | 120.0° |
C12 | C13 | C15 | C18 | 69.2° | 175.0° |
C13 | C12 | H12 | H12A | 118.7° | 120.0° |
C12 | C13 | C14 | H14 | 180.0° | 173.3° |
C12 | C13 | C14 | H14A | 60.0° | 66.8° |
C12 | C13 | C14 | H14B | 60.0° | 53.3° |
C12 | C13 | C15 | H15 | 170.8° | 65.0° |
C12 | C13 | C15 | H15A | 50.8° | 55.0° |
C14 | C13 | C15 | H13 | 118.1° | 119.9° |
C14 | C13 | C15 | C18 | 166.8° | 65.0° |
C14 | C13 | C12 | H12 | 66.6° | 54.4° |
C14 | C13 | C12 | H12A | 173.3° | 174.4° |
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 | 46.7° | 55.0° |
C14 | C13 | C15 | H15A | 73.2° | 175.0° |
C13 | C15 | C18 | H15 | 120.0° | 120.0° |
C13 | C15 | C18 | H15A | 120.0° | 120.0° |
C15 | C13 | C12 | H12 | 55.1° | 65.6° |
C15 | C13 | C12 | H12A | 64.9° | 54.3° |
C15 | C13 | C14 | H14 | 58.1° | 53.2° |
C15 | C13 | C14 | H14A | 178.0° | 173.2° |
C15 | C13 | C14 | H14B | 61.9° | 66.8° |
C13 | C15 | H15 | H15A | 119.5° | 119.9° |
C13 | C15 | C18 | H18 | 180.0° | 180.0° |
C13 | C15 | C18 | H18A | 60.0° | 60.0° |
C13 | C15 | C18 | H18B | 60.0° | 60.0° |
C18 | C15 | C13 | H13 | 48.6° | 55.0° |
C18 | C15 | H15 | H15A | 119.5° | 120.0° |
C15 | C18 | H18 | H18A | 120.0° | 120.0° |
C15 | C18 | H18 | H18B | 120.0° | 120.1° |
C15 | C18 | H18A | H18B | 120.0° | 120.0° |
C16 | C17 | O18 | C19 | 126.0° | 120.1° |
C16 | C17 | O18 | H17 | 117.2° | 120.0° |
C16 | C17 | C19 | H17 | 116.8° | 120.0° |
C16 | C17 | C19 | N20 | 163.9° | 175.0° |
C16 | C17 | C19 | C32 | 72.7° | 65.0° |
C17 | C16 | H16 | H16A | 119.9° | 120.0° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 44.1° | 54.9° |
O18 | C17 | C19 | H17 | 120.1° | 120.0° |
O18 | C17 | C19 | N20 | 73.0° | 64.9° |
O18 | C17 | C19 | C32 | 50.4° | 55.0° |
O18 | C17 | C16 | H16 | 49.9° | 55.0° |
O18 | C17 | C16 | H16A | 70.1° | 175.0° |
O18 | C17 | C19 | H19 | 167.2° | 175.0° |
C17 | C19 | N20 | C32 | 125.1° | 120.0° |
C17 | C19 | N20 | H19 | 117.9° | 120.1° |
C17 | C19 | C32 | H19 | 117.6° | 120.0° |
C17 | C19 | N20 | C21 | 115.9° | 155.0° |
C17 | C19 | C32 | C38 | 179.4° | 175.0° |
C19 | C17 | C16 | H16 | 173.4° | 65.0° |
C19 | C17 | C16 | H16A | 53.4° | 54.9° |
C19 | C17 | O18 | HO18 | 54.0° | 60.0° |
C17 | C19 | N20 | HN20 | 64.1° | 24.9° |
C17 | C19 | C32 | H32 | 60.6° | 65.0° |
C17 | C19 | C32 | H32A | 59.3° | 55.0° |
N20 | C19 | C32 | H19 | 119.7° | 120.0° |
C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
C19 | N20 | C21 | C22 | 175.5° | 180.0° |
C19 | N20 | C21 | O22 | 2.0° | 0.1° |
N20 | C19 | C32 | C38 | 57.9° | 65.0° |
N20 | C19 | C17 | H17 | 47.0° | 55.0° |
N20 | C19 | C32 | H32 | 62.1° | 55.0° |
N20 | C19 | C32 | H32A | 177.9° | 175.0° |
C32 | C19 | N20 | C21 | 119.0° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 104.1° | 90.0° |
C19 | C32 | C38 | C37 | 75.9° | 90.0° |
C32 | C19 | C17 | H17 | 170.4° | 175.0° |
C32 | C19 | N20 | HN20 | 61.0° | 95.1° |
C19 | C32 | H32 | H32A | 120.8° | 120.0° |
N20 | C21 | C22 | O22 | 177.6° | 180.0° |
N20 | C21 | C22 | C23 | 138.2° | 60.0° |
N20 | C21 | C22 | N27 | 99.8° | 180.0° |
C21 | N20 | C19 | H19 | 2.0° | 34.9° |
N20 | C21 | C22 | H22 | 18.4° | 59.9° |
C21 | C22 | C23 | N27 | 122.1° | 120.1° |
C21 | C22 | C23 | H22 | 119.6° | 119.9° |
C21 | C22 | N27 | H22 | 119.6° | 120.1° |
C21 | C22 | C23 | C24 | 66.8° | 180.0° |
C21 | C22 | C23 | C25 | 168.3° | 60.1° |
C21 | C22 | N27 | C27 | 117.0° | 155.0° |
C22 | C21 | N20 | HN20 | 4.5° | 0.1° |
C21 | C22 | C23 | H23 | 52.8° | 60.0° |
C21 | C22 | N27 | HN27 | 63.0° | 25.0° |
O22 | C21 | C22 | C23 | 44.2° | 120.0° |
O22 | C21 | C22 | N27 | 77.8° | 0.0° |
O22 | C21 | N20 | HN20 | 178.0° | 179.9° |
O22 | C21 | C22 | H22 | 164.0° | 120.1° |
C23 | C22 | N27 | H22 | 119.7° | 119.9° |
C22 | C23 | C24 | C25 | 127.0° | 119.9° |
C22 | C23 | C24 | H23 | 117.1° | 120.1° |
C22 | C23 | C25 | H23 | 116.5° | 120.1° |
C22 | C23 | C25 | C26 | 58.7° | 175.0° |
C23 | C22 | N27 | C27 | 122.3° | 85.0° |
C22 | C23 | C24 | H24 | 180.0° | 180.0° |
C22 | C23 | C24 | H24A | 60.0° | 60.0° |
C22 | C23 | C24 | H24B | 60.0° | 59.9° |
C22 | C23 | C25 | H25 | 61.3° | 65.0° |
C22 | C23 | C25 | H25A | 178.7° | 55.0° |
C23 | C22 | N27 | HN27 | 57.7° | 95.0° |
N27 | C22 | C23 | C24 | 171.1° | 59.9° |
N27 | C22 | C23 | C25 | 46.1° | 60.0° |
C22 | N27 | C27 | HN27 | 180.0° | 179.9° |
C22 | N27 | C27 | O27 | 2.3° | 0.1° |
C22 | N27 | C27 | C28 | 176.1° | 180.0° |
N27 | C22 | C23 | H23 | 69.4° | 180.0° |
C24 | C23 | C25 | H23 | 119.4° | 120.0° |
C24 | C23 | C25 | C26 | 65.4° | 65.0° |
C24 | C23 | C22 | H22 | 52.9° | 60.1° |
C23 | C24 | H24 | H24A | 120.0° | 120.0° |
C23 | C24 | H24 | H24B | 120.0° | 120.1° |
C23 | C24 | H24A | H24B | 120.0° | 120.0° |
C24 | C23 | C25 | H25 | 174.6° | 55.0° |
C24 | C23 | C25 | H25A | 54.6° | 175.0° |
C23 | C25 | C26 | H25 | 120.0° | 120.0° |
C23 | C25 | C26 | H25A | 120.0° | 120.0° |
C25 | C23 | C22 | H22 | 72.1° | 180.0° |
C25 | C23 | C24 | H24 | 52.9° | 60.0° |
C25 | C23 | C24 | H24A | 173.0° | 180.0° |
C25 | C23 | C24 | H24B | 67.0° | 60.0° |
C23 | C25 | H25 | H25A | 119.2° | 120.0° |
C23 | C25 | C26 | H26 | 180.0° | 60.0° |
C23 | C25 | C26 | H26A | 60.0° | 60.0° |
C23 | C25 | C26 | H26B | 60.0° | 180.0° |
C26 | C25 | C23 | H23 | 175.2° | 55.0° |
C26 | C25 | H25 | H25A | 119.2° | 120.0° |
C25 | C26 | H26 | H26A | 120.0° | 120.0° |
C25 | C26 | H26 | H26B | 120.0° | 120.0° |
C25 | C26 | H26A | H26B | 120.0° | 120.1° |
N27 | C27 | O27 | C28 | 178.3° | 180.0° |
C27 | N27 | C22 | H22 | 2.6° | 34.9° |
N27 | C27 | C28 | H28 | 178.4° | 89.9° |
N27 | C27 | C28 | H28A | 61.6° | 150.0° |
N27 | C27 | C28 | H28B | 58.4° | 30.0° |
O27 | C27 | N27 | HN27 | 177.7° | 180.0° |
O27 | C27 | C28 | H28 | 0.0° | 90.0° |
O27 | C27 | C28 | H28A | 120.0° | 30.0° |
O27 | C27 | C28 | H28B | 120.0° | 150.0° |
C28 | C27 | N27 | HN27 | 3.9° | 0.0° |
C27 | C28 | H28 | H28A | 120.0° | 120.0° |
C27 | C28 | H28 | H28B | 120.0° | 119.9° |
C27 | C28 | H28A | H28B | 120.0° | 120.0° |
C32 | C38 | C33 | C34 | 178.3° | 180.0° |
C32 | C38 | C33 | C37 | 180.0° | 180.0° |
C32 | C38 | C37 | C36 | 179.0° | 180.0° |
C38 | C32 | C19 | H19 | 61.8° | 55.0° |
C38 | C32 | H32 | H32A | 120.8° | 120.0° |
C32 | C38 | C33 | H33 | 1.6° | 0.3° |
C32 | C38 | C37 | H37 | 1.0° | 0.0° |
C34 | C33 | C38 | H33 | 180.0° | 179.8° |
C33 | C34 | C35 | H34 | 180.0° | 179.9° |
C33 | C34 | C35 | C36 | 1.9° | 0.0° |
C34 | C33 | C38 | C37 | 1.7° | 0.0° |
C33 | C34 | C35 | H35 | 178.1° | 179.9° |
C38 | C33 | C34 | C35 | 2.1° | 0.0° |
C33 | C38 | C37 | C36 | 1.0° | 0.0° |
C33 | C38 | C32 | H32 | 15.9° | 30.0° |
C33 | C38 | C32 | H32A | 135.9° | 150.0° |
C38 | C33 | C34 | H34 | 177.9° | 180.0° |
C33 | C38 | C37 | H37 | 179.0° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 1.3° | 0.0° |
C35 | C34 | C33 | H33 | 177.9° | 179.7° |
C34 | C35 | C36 | H36 | 178.7° | 180.0° |
C35 | C36 | C37 | H36 | 180.0° | 180.0° |
C35 | C36 | C37 | C38 | 0.8° | 0.0° |
C36 | C35 | C34 | H34 | 178.1° | 180.0° |
C35 | C36 | C37 | H37 | 179.2° | 180.0° |
C36 | C37 | C38 | H37 | 180.0° | 180.0° |
C37 | C36 | C35 | H35 | 178.7° | 179.9° |
C37 | C38 | C32 | H32 | 164.1° | 150.0° |
C37 | C38 | C32 | H32A | 44.1° | 30.0° |
C37 | C38 | C33 | H33 | 178.3° | 179.7° |
C38 | C37 | C36 | H36 | 179.2° | 180.0° |
H6 | C6 | C7 | H7 | 0.1° | 0.0° |
H12 | C12 | C13 | H13 | 175.4° | 174.4° |
H12A | C12 | C13 | H13 | 55.4° | 65.7° |
H13 | C13 | C14 | H14 | 62.3° | 66.7° |
H13 | C13 | C14 | H14A | 57.7° | 53.2° |
H13 | C13 | C14 | H14B | 177.7° | 173.3° |
H13 | C13 | C15 | H15 | 71.4° | 175.0° |
H13 | C13 | C15 | H15A | 168.6° | 65.0° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
H15 | C15 | C18 | H18 | 60.0° | 60.0° |
H15 | C15 | C18 | H18A | 180.0° | 180.0° |
H15 | C15 | C18 | H18B | 60.0° | 60.0° |
H15A | C15 | C18 | H18 | 60.0° | 60.0° |
H15A | C15 | C18 | H18A | 60.0° | 60.0° |
H15A | C15 | C18 | H18B | 180.0° | 179.9° |
H16 | C16 | C17 | H17 | 70.2° | 175.0° |
H16A | C16 | C17 | H17 | 169.7° | 65.0° |
H17 | C17 | O18 | HO18 | 62.7° | 180.0° |
H17 | C17 | C19 | H19 | 72.7° | 65.0° |
H18 | C18 | H18A | H18B | 120.0° | 120.0° |
H19 | C19 | N20 | HN20 | 178.0° | 145.0° |
H19 | C19 | C32 | H32 | 178.2° | 175.0° |
H19 | C19 | C32 | H32A | 58.2° | 65.0° |
H22 | C22 | C23 | H23 | 172.4° | 60.0° |
H22 | C22 | N27 | HN27 | 177.4° | 145.0° |
H23 | C23 | C24 | H24 | 63.0° | 59.9° |
H23 | C23 | C24 | H24A | 57.1° | 60.0° |
H23 | C23 | C24 | H24B | 177.1° | 180.0° |
H23 | C23 | C25 | H25 | 55.2° | 174.9° |
H23 | C23 | C25 | H25A | 64.8° | 65.0° |
H24 | C24 | H24A | H24B | 119.9° | 119.9° |
H25 | C25 | C26 | H26 | 60.0° | 180.0° |
H25 | C25 | C26 | H26A | 180.0° | 60.0° |
H25 | C25 | C26 | H26B | 60.0° | 60.0° |
H25A | C25 | C26 | H26 | 60.0° | 60.0° |
H25A | C25 | C26 | H26A | 60.0° | 180.0° |
H25A | C25 | C26 | H26B | 180.0° | 60.0° |
H26 | C26 | H26A | H26B | 120.0° | 120.0° |
H28 | C28 | H28A | H28B | 120.0° | 120.0° |
H33 | C33 | C34 | H34 | 2.1° | 0.2° |
H34 | C34 | C35 | H35 | 1.9° | 0.1° |
H35 | C35 | C36 | H36 | 1.3° | 0.1° |
H36 | C36 | C37 | H37 | 0.8° | 0.0° |