K19
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | doub | 1.28Å | 1.35Å | Aromatic |
C1 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
N1 | C2 | sing | 1.35Å | 1.37Å | Aromatic |
S1 | C3 | sing | 1.76Å | 1.72Å | Aromatic |
C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.64Å | |
C6 | C7 | doub | 1.36Å | 1.41Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.44Å | |
S8 | O10 | doub | 1.42Å | 1.43Å | |
S8 | N11 | sing | 1.66Å | 1.62Å | |
N11 | C12 | sing | 1.47Å | 1.49Å | |
N11 | C16 | sing | 1.46Å | 1.47Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.54Å | |
C15 | C18 | sing | 1.53Å | 1.51Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C17 | O18 | sing | 1.43Å | 1.43Å | |
C17 | C19 | sing | 1.53Å | 1.52Å | |
C19 | N20 | sing | 1.47Å | 1.44Å | |
C19 | C32 | sing | 1.53Å | 1.53Å | |
N20 | C21 | sing | 1.35Å | 1.32Å | |
C21 | O22 | doub | 1.22Å | 1.22Å | |
C21 | O23 | sing | 1.35Å | 1.43Å | |
O23 | C24 | sing | 1.45Å | 1.42Å | |
C24 | C25 | sing | 1.54Å | 1.52Å | |
C24 | C31 | sing | 1.54Å | 1.51Å | |
C25 | O26 | sing | 1.43Å | 1.43Å | |
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 | 1.39Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.38Å | 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 | |
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 | 87.1° | 90.8° |
S1 | C1 | H1 | 122.4° | 124.2° |
N1 | C2 | C3 | 110.5° | 111.8° |
N1 | C2 | C7 | 130.5° | 129.7° |
S1 | C3 | C2 | 114.7° | 108.0° |
S1 | C3 | C4 | 126.7° | 131.7° |
C3 | C2 | C7 | 119.0° | 118.5° |
C2 | C3 | C4 | 118.6° | 120.3° |
C2 | C7 | C6 | 121.6° | 120.4° |
C2 | C7 | H7 | 119.2° | 119.8° |
C3 | C4 | C5 | 123.5° | 119.9° |
C3 | C4 | H4 | 118.3° | 120.0° |
C4 | C5 | C6 | 115.9° | 120.1° |
C4 | C5 | S8 | 125.2° | 119.9° |
C5 | C4 | H4 | 118.3° | 120.0° |
C6 | C5 | S8 | 118.9° | 120.0° |
C5 | C6 | C7 | 121.4° | 120.8° |
C5 | C6 | H6 | 119.3° | 119.6° |
C5 | S8 | O9 | 109.5° | 106.4° |
C5 | S8 | O10 | 110.1° | 106.4° |
C5 | S8 | N11 | 109.8° | 107.2° |
C7 | C6 | H6 | 119.3° | 119.6° |
C6 | C7 | H7 | 119.2° | 119.8° |
O9 | S8 | O10 | 113.5° | 123.2° |
O9 | S8 | N11 | 105.2° | 106.4° |
O10 | S8 | N11 | 108.6° | 106.4° |
S8 | N11 | C12 | 113.0° | 120.0° |
S8 | N11 | C16 | 113.6° | 120.0° |
C12 | N11 | C16 | 113.4° | 120.0° |
N11 | C12 | C13 | 112.2° | 109.5° |
N11 | C12 | H12 | 108.6° | 109.5° |
N11 | C12 | H12A | 108.6° | 109.4° |
N11 | C16 | C17 | 108.2° | 109.4° |
N11 | C16 | H16 | 109.9° | 109.6° |
N11 | C16 | H16A | 109.9° | 109.4° |
C12 | C13 | C14 | 114.5° | 109.5° |
C12 | C13 | C15 | 109.4° | 109.5° |
C13 | C12 | H12 | 108.6° | 109.5° |
C13 | C12 | H12A | 108.6° | 109.5° |
C12 | C13 | H13 | 106.6° | 109.5° |
C14 | C13 | C15 | 111.1° | 109.5° |
C14 | C13 | H13 | 104.8° | 109.4° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H14A | 109.5° | 109.5° |
C13 | C14 | H14B | 109.5° | 109.5° |
C13 | C15 | C18 | 113.6° | 109.5° |
C15 | C13 | H13 | 110.3° | 109.5° |
C13 | C15 | H15 | 108.1° | 109.5° |
C13 | C15 | H15A | 108.1° | 109.4° |
C18 | C15 | H15 | 108.1° | 109.5° |
C18 | C15 | H15A | 108.1° | 109.5° |
C15 | C18 | H18 | 109.5° | 109.4° |
C15 | C18 | H18A | 109.5° | 109.5° |
C15 | C18 | H18B | 109.5° | 109.4° |
C16 | C17 | O18 | 110.4° | 109.5° |
C16 | C17 | C19 | 114.0° | 109.5° |
C17 | C16 | H16 | 109.9° | 109.5° |
C17 | C16 | H16A | 109.9° | 109.4° |
C16 | C17 | H17 | 105.5° | 109.5° |
O18 | C17 | C19 | 108.9° | 109.5° |
O18 | C17 | H17 | 110.9° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 106.1° | 109.5° |
C17 | C19 | C32 | 116.2° | 109.5° |
C19 | C17 | H17 | 107.1° | 109.4° |
C17 | C19 | H19 | 107.0° | 109.5° |
N20 | C19 | C32 | 108.6° | 109.5° |
C19 | N20 | C21 | 125.0° | 120.0° |
N20 | C19 | H19 | 114.8° | 109.4° |
C19 | N20 | HN20 | 117.5° | 120.0° |
C19 | C32 | C38 | 110.4° | 109.5° |
C32 | C19 | H19 | 104.4° | 109.5° |
C19 | C32 | H32 | 109.2° | 109.5° |
C19 | C32 | H32A | 109.1° | 109.5° |
N20 | C21 | O22 | 129.6° | 120.0° |
N20 | C21 | O23 | 111.0° | 120.0° |
C21 | N20 | HN20 | 117.5° | 120.0° |
O22 | C21 | O23 | 119.4° | 120.0° |
C21 | O23 | C24 | 118.4° | 117.0° |
O23 | C24 | C25 | 104.0° | 110.4° |
O23 | C24 | C31 | 110.2° | 110.4° |
O23 | C24 | H24 | 110.8° | 110.4° |
C25 | C24 | C31 | 103.9° | 104.7° |
C24 | C25 | O26 | 103.3° | 107.4° |
C25 | C24 | H24 | 116.5° | 110.4° |
C24 | C25 | H25 | 111.6° | 109.9° |
C24 | C25 | H25A | 111.6° | 109.9° |
C24 | C31 | C27 | 103.6° | 102.8° |
C24 | C31 | C30 | 117.0° | 108.8° |
C31 | C24 | H24 | 111.0° | 110.5° |
C24 | C31 | H31 | 106.9° | 113.8° |
C25 | O26 | C27 | 109.7° | 107.9° |
O26 | C25 | H25 | 111.6° | 109.9° |
O26 | C25 | H25A | 111.6° | 109.8° |
O26 | C27 | O28 | 108.6° | 108.8° |
O26 | C27 | C31 | 107.5° | 104.0° |
O26 | C27 | H27 | 110.9° | 112.5° |
O28 | C27 | C31 | 108.3° | 105.2° |
C27 | O28 | C29 | 111.0° | 110.4° |
O28 | C27 | H27 | 110.1° | 112.5° |
C27 | C31 | C30 | 103.9° | 101.2° |
C31 | C27 | H27 | 111.2° | 113.2° |
C27 | C31 | H31 | 119.4° | 114.2° |
O28 | C29 | C30 | 105.4° | 107.7° |
O28 | C29 | H29 | 110.9° | 109.8° |
O28 | C29 | H29A | 110.8° | 109.8° |
C29 | C30 | C31 | 104.9° | 102.6° |
C30 | C29 | H29 | 110.9° | 109.8° |
C30 | C29 | H29A | 110.9° | 109.8° |
C29 | C30 | H30 | 111.0° | 110.8° |
C29 | C30 | H30A | 111.0° | 110.8° |
C31 | C30 | H30 | 111.0° | 110.8° |
C31 | C30 | H30A | 111.0° | 110.8° |
C30 | C31 | H31 | 106.7° | 114.7° |
C32 | C38 | C33 | 120.5° | 120.0° |
C32 | C38 | C37 | 121.1° | 120.0° |
C38 | C32 | H32 | 109.1° | 109.5° |
C38 | C32 | H32A | 109.2° | 109.5° |
C34 | C33 | C38 | 120.3° | 120.0° |
C33 | C34 | C35 | 120.4° | 120.0° |
C34 | C33 | H33 | 119.8° | 120.0° |
C33 | C34 | H34 | 119.8° | 120.0° |
C33 | C38 | C37 | 118.4° | 119.9° |
C38 | C33 | H33 | 119.8° | 119.9° |
C34 | C35 | C36 | 120.0° | 120.0° |
C35 | C34 | H34 | 119.8° | 119.9° |
C34 | C35 | H35 | 120.0° | 120.1° |
C35 | C36 | C37 | 119.6° | 120.0° |
C36 | C35 | H35 | 120.0° | 120.0° |
C35 | C36 | H36 | 120.2° | 120.0° |
C36 | C37 | C38 | 121.4° | 120.0° |
C37 | C36 | H36 | 120.2° | 120.0° |
C36 | C37 | H37 | 119.3° | 120.0° |
C38 | C37 | H37 | 119.3° | 120.0° |
H12 | C12 | H12A | 110.3° | 109.5° |
H14 | C14 | H14A | 109.5° | 109.5° |
H14 | C14 | H14B | 109.4° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.4° |
H15 | C15 | H15A | 110.8° | 109.5° |
H16 | C16 | H16A | 109.1° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.5° |
H18 | C18 | H18B | 109.5° | 109.5° |
H18A | C18 | H18B | 109.5° | 109.5° |
H25 | C25 | H25A | 107.3° | 109.9° |
H29 | C29 | H29A | 108.0° | 109.9° |
H30 | C30 | H30A | 107.8° | 110.9° |
H32 | C32 | H32A | 109.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | S1 | H1 | 180.0° | 179.9° |
N1 | C1 | S1 | C3 | 0.7° | 0.1° |
C1 | N1 | C2 | C3 | 1.0° | 0.0° |
C1 | N1 | C2 | C7 | 179.5° | 180.0° |
S1 | C1 | N1 | C2 | 0.1° | 0.1° |
C1 | S1 | C3 | C2 | 1.2° | 0.0° |
C1 | S1 | C3 | C4 | 179.7° | 179.9° |
N1 | C2 | C3 | S1 | 1.5° | 0.0° |
N1 | C2 | C3 | C7 | 179.6° | 180.0° |
N1 | C2 | C3 | C4 | 179.9° | 180.0° |
N1 | C2 | C7 | C6 | 179.5° | 179.9° |
C2 | N1 | C1 | H1 | 179.9° | 179.8° |
N1 | C2 | C7 | H7 | 0.5° | 0.1° |
S1 | C3 | C2 | C4 | 178.6° | 180.0° |
S1 | C3 | C2 | C7 | 178.9° | 179.9° |
S1 | C3 | C4 | C5 | 179.3° | 180.0° |
C3 | S1 | C1 | H1 | 179.3° | 179.8° |
S1 | C3 | C4 | H4 | 0.7° | 0.0° |
C2 | C3 | C4 | C5 | 1.0° | 0.0° |
C3 | C2 | C7 | C6 | 0.0° | 0.1° |
C2 | C3 | C4 | H4 | 179.1° | 180.0° |
C3 | C2 | C7 | H7 | 180.0° | 180.0° |
C7 | C2 | C3 | C4 | 0.3° | 0.1° |
C2 | C7 | C6 | C5 | 0.3° | 0.1° |
C2 | C7 | C6 | H7 | 180.0° | 179.8° |
C2 | C7 | C6 | H6 | 179.7° | 179.9° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 1.2° | 0.0° |
C3 | C4 | C5 | S8 | 176.2° | 180.0° |
C4 | C5 | C6 | S8 | 177.6° | 180.0° |
C4 | C5 | C6 | C7 | 0.9° | 0.1° |
C4 | C5 | S8 | O9 | 25.3° | 156.5° |
C4 | C5 | S8 | O10 | 150.8° | 23.5° |
C4 | C5 | S8 | N11 | 89.8° | 90.0° |
C4 | C5 | C6 | H6 | 179.1° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C6 | C5 | S8 | O9 | 157.3° | 23.5° |
C6 | C5 | S8 | O10 | 31.9° | 156.5° |
C6 | C5 | S8 | N11 | 87.6° | 90.0° |
C6 | C5 | C4 | H4 | 178.8° | 180.0° |
C5 | C6 | C7 | H7 | 179.7° | 180.0° |
S8 | C5 | C6 | C7 | 176.7° | 179.9° |
C5 | S8 | O9 | O10 | 123.4° | 123.0° |
C5 | S8 | O9 | N11 | 118.0° | 114.1° |
C5 | S8 | O10 | N11 | 120.2° | 114.1° |
C5 | S8 | N11 | C12 | 49.6° | 90.0° |
C5 | S8 | N11 | C16 | 81.4° | 90.0° |
S8 | C5 | C4 | H4 | 3.8° | 0.0° |
S8 | C5 | C6 | H6 | 3.3° | 0.0° |
O9 | S8 | O10 | N11 | 116.6° | 123.0° |
O9 | S8 | N11 | C12 | 68.1° | 23.5° |
O9 | S8 | N11 | C16 | 160.9° | 156.5° |
O10 | S8 | N11 | C12 | 170.0° | 156.5° |
O10 | S8 | N11 | C16 | 39.0° | 23.5° |
S8 | N11 | C12 | C16 | 131.1° | 179.9° |
S8 | N11 | C12 | C13 | 147.5° | 93.3° |
S8 | N11 | C16 | C17 | 120.2° | 94.1° |
S8 | N11 | C12 | H12 | 27.5° | 146.7° |
S8 | N11 | C12 | H12A | 92.5° | 26.7° |
S8 | N11 | C16 | H16 | 119.8° | 145.9° |
S8 | N11 | C16 | H16A | 0.2° | 25.8° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.0° |
N11 | C12 | C13 | C14 | 58.1° | 65.3° |
N11 | C12 | C13 | C15 | 176.6° | 174.7° |
C12 | N11 | C16 | C17 | 109.0° | 85.9° |
N11 | C12 | H12 | H12A | 118.9° | 120.0° |
N11 | C12 | C13 | H13 | 57.3° | 54.7° |
C12 | N11 | C16 | H16 | 11.0° | 34.1° |
C12 | N11 | C16 | H16A | 131.0° | 154.1° |
C16 | N11 | C12 | C13 | 81.5° | 86.6° |
N11 | C16 | C17 | H16 | 120.0° | 120.1° |
N11 | C16 | C17 | H16A | 120.0° | 119.9° |
N11 | C16 | C17 | O18 | 168.0° | 65.0° |
N11 | C16 | C17 | C19 | 69.0° | 175.0° |
C16 | N11 | C12 | H12 | 158.5° | 33.4° |
C16 | N11 | C12 | H12A | 38.6° | 153.4° |
N11 | C16 | H16 | H16A | 120.5° | 120.0° |
N11 | C16 | C17 | H17 | 48.1° | 55.0° |
C12 | C13 | C14 | C15 | 124.5° | 120.0° |
C12 | C13 | C14 | H13 | 116.4° | 120.0° |
C12 | C13 | C15 | H13 | 117.0° | 120.0° |
C12 | C13 | C15 | C18 | 62.2° | 175.0° |
C13 | C12 | H12 | H12A | 118.9° | 120.0° |
C12 | C13 | C14 | H14 | 180.0° | 53.1° |
C12 | C13 | C14 | H14A | 60.0° | 173.0° |
C12 | C13 | C14 | H14B | 60.0° | 67.0° |
C12 | C13 | C15 | H15 | 57.8° | 65.0° |
C12 | C13 | C15 | H15A | 177.8° | 55.0° |
C14 | C13 | C15 | H13 | 115.7° | 120.0° |
C14 | C13 | C15 | C18 | 65.1° | 65.0° |
C14 | C13 | C12 | H12 | 61.9° | 54.7° |
C14 | C13 | C12 | H12A | 178.1° | 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 | 174.9° | 55.0° |
C14 | C13 | C15 | H15A | 54.9° | 175.0° |
C13 | C15 | C18 | H15 | 120.0° | 120.0° |
C13 | C15 | C18 | H15A | 120.0° | 120.0° |
C15 | C13 | C12 | H12 | 63.4° | 65.3° |
C15 | C13 | C12 | H12A | 56.6° | 54.7° |
C15 | C13 | C14 | H14 | 55.5° | 67.0° |
C15 | C13 | C14 | H14A | 175.5° | 53.0° |
C15 | C13 | C14 | H14B | 64.5° | 173.0° |
C13 | C15 | H15 | H15A | 118.3° | 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 | 179.2° | 54.9° |
C18 | C15 | H15 | H15A | 118.3° | 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 | 125.9° | 120.0° |
C16 | C17 | O18 | H17 | 116.5° | 120.0° |
C16 | C17 | C19 | H17 | 116.2° | 120.0° |
C16 | C17 | C19 | N20 | 166.2° | 175.0° |
C16 | C17 | C19 | C32 | 73.0° | 65.0° |
C17 | C16 | H16 | H16A | 120.5° | 119.9° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 43.1° | 55.0° |
O18 | C17 | C19 | H17 | 120.0° | 120.0° |
O18 | C17 | C19 | N20 | 70.0° | 65.0° |
O18 | C17 | C19 | C32 | 50.8° | 55.0° |
O18 | C17 | C16 | H16 | 48.0° | 55.0° |
O18 | C17 | C16 | H16A | 72.0° | 175.0° |
O18 | C17 | C19 | H19 | 167.0° | 175.0° |
C17 | C19 | N20 | C32 | 125.6° | 120.0° |
C17 | C19 | N20 | H19 | 117.9° | 120.0° |
C17 | C19 | C32 | H19 | 117.6° | 120.0° |
C17 | C19 | N20 | C21 | 109.7° | 155.0° |
C17 | C19 | C32 | C38 | 179.6° | 175.0° |
C19 | C17 | C16 | H16 | 171.0° | 64.9° |
C19 | C17 | C16 | H16A | 50.9° | 55.0° |
C19 | C17 | O18 | HO18 | 54.1° | 60.0° |
C17 | C19 | N20 | HN20 | 70.3° | 25.0° |
C17 | C19 | C32 | H32 | 60.4° | 65.0° |
C17 | C19 | C32 | H32A | 59.6° | 55.0° |
N20 | C19 | C32 | H19 | 123.0° | 120.0° |
C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
C19 | N20 | C21 | O22 | 0.8° | 0.0° |
C19 | N20 | C21 | O23 | 178.7° | 180.0° |
N20 | C19 | C32 | C38 | 60.9° | 65.0° |
N20 | C19 | C17 | H17 | 50.0° | 55.0° |
N20 | C19 | C32 | H32 | 59.0° | 55.0° |
N20 | C19 | C32 | H32A | 179.0° | 175.0° |
C32 | C19 | N20 | C21 | 124.7° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 67.7° | 90.0° |
C19 | C32 | C38 | C37 | 112.3° | 90.0° |
C32 | C19 | C17 | H17 | 170.8° | 175.0° |
C32 | C19 | N20 | HN20 | 55.3° | 95.0° |
C19 | C32 | H32 | H32A | 119.6° | 120.0° |
N20 | C21 | O22 | O23 | 179.4° | 180.0° |
N20 | C21 | O23 | C24 | 170.3° | 180.0° |
C21 | N20 | C19 | H19 | 8.3° | 35.0° |
O22 | C21 | O23 | C24 | 9.3° | 0.0° |
O22 | C21 | N20 | HN20 | 179.2° | 180.0° |
C21 | O23 | C24 | C25 | 144.9° | 91.5° |
C21 | O23 | C24 | C31 | 104.3° | 153.2° |
O23 | C21 | N20 | HN20 | 1.3° | 0.0° |
C21 | O23 | C24 | H24 | 18.9° | 30.8° |
O23 | C24 | C25 | C31 | 115.4° | 118.8° |
O23 | C24 | C25 | H24 | 122.3° | 122.3° |
O23 | C24 | C31 | H24 | 123.1° | 122.4° |
O23 | C24 | C25 | O26 | 80.6° | 115.4° |
O23 | C24 | C31 | C27 | 85.6° | 136.5° |
O23 | C24 | C31 | C30 | 28.0° | 29.8° |
O23 | C24 | C25 | H25 | 159.4° | 125.2° |
O23 | C24 | C25 | H25A | 39.4° | 4.1° |
O23 | C24 | C31 | H31 | 147.4° | 99.5° |
C25 | C24 | C31 | H24 | 126.0° | 118.8° |
C24 | C25 | O26 | H25 | 120.0° | 119.5° |
C24 | C25 | O26 | H25A | 120.0° | 119.5° |
C24 | C25 | O26 | C27 | 31.5° | 25.7° |
C25 | C24 | C31 | C27 | 25.3° | 17.7° |
C25 | C24 | C31 | C30 | 138.9° | 89.0° |
C24 | C25 | H25 | H25A | 122.5° | 121.0° |
C25 | C24 | C31 | H31 | 101.7° | 141.7° |
C31 | C24 | C25 | O26 | 34.8° | 3.5° |
C24 | C31 | C27 | O26 | 7.1° | 33.0° |
C24 | C31 | C27 | O28 | 110.1° | 147.3° |
C24 | C31 | C27 | C30 | 122.7° | 112.5° |
C24 | C31 | C27 | H31 | 118.7° | 123.8° |
C24 | C31 | C30 | C29 | 90.4° | 140.9° |
C24 | C31 | C30 | H31 | 119.6° | 128.8° |
C31 | C24 | C25 | H25 | 85.3° | 116.0° |
C31 | C24 | C25 | H25A | 154.8° | 122.9° |
C24 | C31 | C27 | H27 | 128.8° | 89.4° |
C24 | C31 | C30 | H30 | 149.6° | 100.9° |
C24 | C31 | C30 | H30A | 29.7° | 22.6° |
C25 | O26 | C27 | O28 | 132.5° | 148.6° |
C25 | O26 | C27 | C31 | 15.6° | 36.9° |
O26 | C25 | C24 | H24 | 157.1° | 122.4° |
O26 | C25 | H25 | H25A | 122.5° | 121.0° |
C25 | O26 | C27 | H27 | 106.3° | 86.0° |
O26 | C27 | O28 | C31 | 116.5° | 110.9° |
O26 | C27 | O28 | H27 | 121.7° | 125.4° |
O26 | C27 | C31 | H27 | 121.6° | 122.5° |
O26 | C27 | O28 | C29 | 112.9° | 88.0° |
O26 | C27 | C31 | C30 | 129.9° | 79.4° |
C27 | O26 | C25 | H25 | 88.5° | 93.8° |
C27 | O26 | C25 | H25A | 151.5° | 145.2° |
O26 | C27 | C31 | H31 | 111.6° | 156.8° |
O28 | C27 | C31 | H27 | 121.2° | 123.3° |
C27 | O28 | C29 | C30 | 18.3° | 0.9° |
O28 | C27 | C31 | C30 | 12.7° | 34.8° |
C27 | O28 | C29 | H29 | 138.4° | 120.4° |
C27 | O28 | C29 | H29A | 101.6° | 118.6° |
O28 | C27 | C31 | H31 | 131.2° | 88.9° |
C31 | C27 | O28 | C29 | 3.6° | 22.8° |
C27 | C31 | C30 | C29 | 23.0° | 33.1° |
C27 | C31 | C30 | H31 | 127.0° | 123.4° |
C27 | C31 | C24 | H24 | 151.3° | 101.2° |
C27 | C31 | C30 | H30 | 97.0° | 151.4° |
C27 | C31 | C30 | H30A | 143.0° | 85.2° |
O28 | C29 | C30 | H29 | 120.0° | 119.5° |
O28 | C29 | C30 | H29A | 120.0° | 119.5° |
O28 | C29 | C30 | C31 | 25.6° | 21.3° |
C29 | O28 | C27 | H27 | 125.4° | 146.6° |
O28 | C29 | H29 | H29A | 121.7° | 120.9° |
O28 | C29 | C30 | H30 | 94.5° | 139.5° |
O28 | C29 | C30 | H30A | 145.6° | 97.0° |
C29 | C30 | C31 | H30 | 120.0° | 118.3° |
C29 | C30 | C31 | H30A | 120.0° | 118.3° |
C30 | C29 | H29 | H29A | 121.7° | 120.9° |
C29 | C30 | H30 | H30A | 121.8° | 123.4° |
C29 | C30 | C31 | H31 | 150.1° | 90.3° |
C30 | C31 | C24 | H24 | 95.2° | 152.2° |
C30 | C31 | C27 | H27 | 108.5° | 158.1° |
C31 | C30 | C29 | H29 | 145.6° | 98.2° |
C31 | C30 | C29 | H29A | 94.4° | 140.8° |
C31 | C30 | H30 | H30A | 121.8° | 123.4° |
C32 | C38 | C33 | C34 | 179.5° | 180.0° |
C32 | C38 | C33 | C37 | 180.0° | 180.0° |
C32 | C38 | C37 | C36 | 179.9° | 180.0° |
C38 | C32 | C19 | H19 | 62.0° | 55.0° |
C38 | C32 | H32 | H32A | 119.6° | 120.0° |
C32 | C38 | C33 | H33 | 0.5° | 0.4° |
C32 | C38 | C37 | H37 | 0.1° | 0.1° |
C34 | C33 | C38 | H33 | 180.0° | 179.6° |
C33 | C34 | C35 | H34 | 180.0° | 179.9° |
C33 | C34 | C35 | C36 | 0.2° | 0.0° |
C34 | C33 | C38 | C37 | 0.5° | 0.0° |
C33 | C34 | C35 | H35 | 179.9° | 179.9° |
C38 | C33 | C34 | C35 | 0.5° | 0.0° |
C33 | C38 | C37 | C36 | 0.1° | 0.0° |
C33 | C38 | C32 | H32 | 172.3° | 30.0° |
C33 | C38 | C32 | H32A | 52.3° | 150.0° |
C38 | C33 | C34 | H34 | 179.5° | 179.9° |
C33 | C38 | C37 | H37 | 179.9° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 0.2° | 0.0° |
C35 | C34 | C33 | H33 | 179.4° | 179.7° |
C34 | C35 | C36 | H36 | 179.8° | 180.0° |
C35 | C36 | C37 | H36 | 180.0° | 180.0° |
C35 | C36 | C37 | C38 | 0.3° | 0.0° |
C36 | C35 | C34 | H34 | 179.9° | 179.9° |
C35 | C36 | C37 | H37 | 179.7° | 179.9° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 179.7° | 179.9° |
C37 | C38 | C32 | H32 | 7.7° | 150.0° |
C37 | C38 | C32 | H32A | 127.7° | 30.0° |
C37 | C38 | C33 | H33 | 179.5° | 179.7° |
C38 | C37 | C36 | H36 | 179.7° | 180.0° |
H6 | C6 | C7 | H7 | 0.3° | 0.1° |
H12 | C12 | C13 | H13 | 177.3° | 174.7° |
H12A | C12 | C13 | H13 | 62.7° | 65.3° |
H13 | C13 | C14 | H14 | 63.6° | 173.1° |
H13 | C13 | C14 | H14A | 56.4° | 67.0° |
H13 | C13 | C14 | H14B | 176.4° | 53.0° |
H13 | C13 | C15 | H15 | 59.2° | 175.0° |
H13 | C13 | C15 | H15A | 60.8° | 65.1° |
H14 | C14 | H14A | H14B | 119.9° | 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° | 180.0° |
H16 | C16 | C17 | H17 | 71.9° | 175.1° |
H16A | C16 | C17 | H17 | 168.1° | 64.9° |
H17 | C17 | O18 | HO18 | 63.5° | 180.0° |
H17 | C17 | C19 | H19 | 73.1° | 65.0° |
H18 | C18 | H18A | H18B | 120.0° | 120.0° |
H19 | C19 | N20 | HN20 | 171.7° | 145.0° |
H19 | C19 | C32 | H32 | 178.0° | 175.0° |
H19 | C19 | C32 | H32A | 58.0° | 65.0° |
H24 | C24 | C25 | H25 | 37.1° | 2.9° |
H24 | C24 | C25 | H25A | 82.9° | 118.2° |
H24 | C24 | C31 | H31 | 24.3° | 22.9° |
H27 | C27 | C31 | H31 | 10.1° | 34.4° |
H29 | C29 | C30 | H30 | 25.6° | 20.0° |
H29 | C29 | C30 | H30A | 94.4° | 143.5° |
H29A | C29 | C30 | H30 | 145.6° | 100.9° |
H29A | C29 | C30 | H30A | 25.6° | 22.5° |
H30 | C30 | C31 | H31 | 30.0° | 27.9° |
H30A | C30 | C31 | H31 | 89.9° | 151.4° |
H33 | C33 | C34 | H34 | 0.6° | 0.4° |
H34 | C34 | C35 | H35 | 0.1° | 0.0° |
H35 | C35 | C36 | H36 | 0.3° | 0.1° |
H36 | C36 | C37 | H37 | 0.3° | 0.1° |