K2D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
O1 | C2 | sing | 1.36Å | 1.38Å | |
C2 | C3 | doub | 1.39Å | 1.41Å | 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 | 1.64Å | |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.44Å | |
S8 | O10 | doub | 1.42Å | 1.42Å | |
S8 | N11 | sing | 1.66Å | 1.63Å | |
N11 | C12 | sing | 1.46Å | 1.49Å | |
N11 | C16 | sing | 1.47Å | 1.48Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.53Å | |
C14 | C20 | sing | 1.53Å | 1.51Å | |
C15 | C18 | sing | 1.53Å | 1.51Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
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 | 1.53Å | |
N20 | C21 | sing | 1.35Å | 1.33Å | |
C21 | O22 | doub | 1.21Å | 1.22Å | |
C21 | O23 | sing | 1.35Å | 1.44Å | |
O23 | C24 | sing | 1.45Å | 1.42Å | |
C24 | C25 | sing | 1.54Å | 1.52Å | |
C24 | C31 | sing | 1.54Å | 1.52Å | |
C25 | O26 | sing | 1.43Å | 1.42Å | |
O26 | C27 | sing | 1.44Å | 1.43Å | |
C27 | O28 | sing | 1.43Å | 1.43Å | |
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 | 1.38Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.38Å | 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 | 1.09Å | 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 | |
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) |
C1 | O1 | C2 | 118.3° | 117.0° |
O1 | C1 | H1 | 109.5° | 109.5° |
O1 | C1 | H1A | 109.4° | 109.5° |
O1 | C1 | H1B | 109.4° | 109.4° |
O1 | C2 | C3 | 120.3° | 120.0° |
O1 | C2 | C7 | 120.2° | 120.1° |
C3 | C2 | C7 | 119.5° | 119.9° |
C2 | C3 | C4 | 118.8° | 119.9° |
C2 | C3 | H3 | 120.6° | 120.1° |
C2 | C7 | C6 | 120.7° | 120.0° |
C2 | C7 | H7 | 119.7° | 120.0° |
C3 | C4 | C5 | 122.4° | 120.0° |
C4 | C3 | H3 | 120.6° | 120.0° |
C3 | C4 | H4 | 118.8° | 120.0° |
C4 | C5 | C6 | 118.0° | 120.2° |
C4 | C5 | S8 | 120.2° | 119.9° |
C5 | C4 | H4 | 118.8° | 120.0° |
C6 | C5 | S8 | 121.7° | 119.9° |
C5 | C6 | C7 | 120.6° | 120.0° |
C5 | C6 | H6 | 119.7° | 120.0° |
C5 | S8 | O9 | 111.5° | 106.4° |
C5 | S8 | O10 | 110.8° | 106.4° |
C5 | S8 | N11 | 108.6° | 107.2° |
C7 | C6 | H6 | 119.7° | 120.0° |
C6 | C7 | H7 | 119.6° | 120.0° |
O9 | S8 | O10 | 112.6° | 123.1° |
O9 | S8 | N11 | 105.2° | 106.4° |
O10 | S8 | N11 | 107.9° | 106.4° |
S8 | N11 | C12 | 114.1° | 120.0° |
S8 | N11 | C16 | 113.5° | 120.0° |
C12 | N11 | C16 | 113.8° | 120.0° |
N11 | C12 | C13 | 112.2° | 109.5° |
N11 | C12 | H12 | 108.6° | 109.5° |
N11 | C12 | H12A | 108.6° | 109.5° |
N11 | C16 | C17 | 108.2° | 109.5° |
N11 | C16 | H16 | 109.9° | 109.4° |
N11 | C16 | H16A | 109.9° | 109.4° |
C12 | C13 | C14 | 112.1° | 109.5° |
C12 | C13 | C15 | 110.3° | 109.5° |
C13 | C12 | H12 | 108.6° | 109.5° |
C13 | C12 | H12A | 108.6° | 109.5° |
C12 | C13 | H13 | 108.2° | 109.5° |
C14 | C13 | C15 | 112.5° | 109.4° |
C13 | C14 | C20 | 112.7° | 109.5° |
C14 | C13 | H13 | 105.7° | 109.5° |
C13 | C14 | H14 | 108.4° | 109.5° |
C13 | C14 | H14A | 108.4° | 109.5° |
C13 | C15 | C18 | 114.3° | 109.4° |
C15 | C13 | H13 | 107.8° | 109.4° |
C13 | C15 | H15 | 107.9° | 109.5° |
C13 | C15 | H15A | 107.9° | 109.4° |
C20 | C14 | H14 | 108.4° | 109.5° |
C20 | C14 | H14A | 108.4° | 109.4° |
C14 | C20 | H20 | 109.5° | 109.5° |
C14 | C20 | H20A | 109.5° | 109.5° |
C14 | C20 | H20B | 109.5° | 109.5° |
C18 | C15 | H15 | 107.9° | 109.5° |
C18 | C15 | H15A | 107.9° | 109.5° |
C15 | C18 | H18 | 109.5° | 109.5° |
C15 | C18 | H18A | 109.5° | 109.4° |
C15 | C18 | H18B | 109.5° | 109.5° |
C16 | C17 | O18 | 110.1° | 109.5° |
C16 | C17 | C19 | 113.2° | 109.5° |
C17 | C16 | H16 | 109.9° | 109.5° |
C17 | C16 | H16A | 109.9° | 109.5° |
C16 | C17 | H17 | 106.4° | 109.5° |
O18 | C17 | C19 | 109.4° | 109.4° |
O18 | C17 | H17 | 110.5° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 106.7° | 109.5° |
C17 | C19 | C32 | 112.8° | 109.5° |
C19 | C17 | H17 | 107.2° | 109.5° |
C17 | C19 | H19 | 109.2° | 109.5° |
N20 | C19 | C32 | 109.5° | 109.5° |
C19 | N20 | C21 | 125.6° | 120.0° |
N20 | C19 | H19 | 112.5° | 109.4° |
C19 | N20 | HN20 | 117.2° | 119.9° |
C19 | C32 | C38 | 109.4° | 109.5° |
C32 | C19 | H19 | 106.3° | 109.5° |
C19 | C32 | H32 | 109.5° | 109.4° |
C19 | C32 | H32A | 109.5° | 109.5° |
N20 | C21 | O22 | 129.1° | 120.0° |
N20 | C21 | O23 | 111.7° | 119.9° |
C21 | N20 | HN20 | 117.2° | 120.1° |
O22 | C21 | O23 | 119.1° | 120.1° |
C21 | O23 | C24 | 117.1° | 117.0° |
O23 | C24 | C25 | 103.5° | 110.4° |
O23 | C24 | C31 | 109.6° | 110.4° |
O23 | C24 | H24 | 112.0° | 110.4° |
C25 | C24 | C31 | 105.5° | 104.7° |
C24 | C25 | O26 | 101.7° | 107.4° |
C25 | C24 | H24 | 115.6° | 110.4° |
C24 | C25 | H25 | 112.2° | 109.9° |
C24 | C25 | H25A | 112.2° | 109.9° |
C24 | C31 | C27 | 102.1° | 102.7° |
C24 | C31 | C30 | 118.0° | 108.9° |
C31 | C24 | H24 | 110.2° | 110.5° |
C24 | C31 | H31 | 107.6° | 113.8° |
C25 | O26 | C27 | 110.3° | 107.9° |
O26 | C25 | H25 | 112.1° | 109.8° |
O26 | C25 | H25A | 112.2° | 109.9° |
O26 | C27 | O28 | 111.1° | 108.8° |
O26 | C27 | C31 | 107.7° | 104.0° |
O26 | C27 | H27 | 109.4° | 112.6° |
O28 | C27 | C31 | 108.8° | 105.1° |
C27 | O28 | C29 | 109.6° | 110.4° |
O28 | C27 | H27 | 108.2° | 112.5° |
C27 | C31 | C30 | 104.6° | 101.2° |
C31 | C27 | H27 | 111.7° | 113.3° |
C27 | C31 | H31 | 120.3° | 114.2° |
O28 | C29 | C30 | 107.1° | 107.6° |
O28 | C29 | H29 | 110.3° | 109.8° |
O28 | C29 | H29A | 110.2° | 109.8° |
C29 | C30 | C31 | 104.0° | 102.6° |
C30 | C29 | H29 | 110.3° | 109.8° |
C30 | C29 | H29A | 110.3° | 109.8° |
C29 | C30 | H30 | 111.3° | 110.8° |
C29 | C30 | H30A | 111.3° | 110.8° |
C31 | C30 | H30 | 111.3° | 110.8° |
C31 | C30 | H30A | 111.3° | 110.8° |
C30 | C31 | H31 | 105.1° | 114.7° |
C32 | C38 | C33 | 120.0° | 120.0° |
C32 | C38 | C37 | 120.4° | 120.0° |
C38 | C32 | H32 | 109.5° | 109.5° |
C38 | C32 | H32A | 109.5° | 109.5° |
C34 | C33 | C38 | 120.7° | 120.0° |
C33 | C34 | C35 | 119.7° | 120.0° |
C34 | C33 | H33 | 119.6° | 120.0° |
C33 | C34 | H34 | 120.1° | 120.0° |
C33 | C38 | C37 | 119.6° | 120.0° |
C38 | C33 | H33 | 119.7° | 120.0° |
C34 | C35 | C36 | 120.3° | 120.0° |
C35 | C34 | H34 | 120.1° | 120.1° |
C34 | C35 | H35 | 119.9° | 120.0° |
C35 | C36 | C37 | 120.2° | 120.0° |
C36 | C35 | H35 | 119.9° | 120.0° |
C35 | C36 | H36 | 119.9° | 120.0° |
C36 | C37 | C38 | 119.5° | 120.0° |
C37 | C36 | H36 | 120.0° | 120.0° |
C36 | C37 | H37 | 120.2° | 120.0° |
C38 | C37 | H37 | 120.2° | 120.0° |
H1 | C1 | H1A | 109.4° | 109.5° |
H1 | C1 | H1B | 109.5° | 109.5° |
H1A | C1 | H1B | 109.5° | 109.5° |
H12 | C12 | H12A | 110.4° | 109.4° |
H14 | C14 | H14A | 110.5° | 109.5° |
H15 | C15 | H15A | 111.0° | 109.5° |
H16 | C16 | H16A | 109.0° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.5° |
H18 | C18 | H18B | 109.5° | 109.5° |
H18A | C18 | H18B | 109.5° | 109.5° |
H20 | C20 | H20A | 109.5° | 109.4° |
H20 | C20 | H20B | 109.4° | 109.5° |
H20A | C20 | H20B | 109.5° | 109.4° |
H25 | C25 | H25A | 106.7° | 109.9° |
H29 | C29 | H29A | 108.7° | 109.9° |
H30 | C30 | H30A | 107.6° | 110.8° |
H32 | C32 | H32A | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | O1 | C2 | C3 | 9.2° | 180.0° |
C1 | O1 | C2 | C7 | 171.9° | 0.2° |
O1 | C1 | H1 | H1A | 120.0° | 120.0° |
O1 | C1 | H1 | H1B | 120.0° | 120.0° |
O1 | C1 | H1A | H1B | 120.0° | 120.0° |
O1 | C2 | C3 | C7 | 178.8° | 179.8° |
O1 | C2 | C3 | C4 | 179.2° | 180.0° |
O1 | C2 | C7 | C6 | 180.0° | 179.7° |
C2 | O1 | C1 | H1 | 180.0° | 180.0° |
C2 | O1 | C1 | H1A | 60.0° | 60.0° |
C2 | O1 | C1 | H1B | 60.0° | 59.9° |
O1 | C2 | C3 | H3 | 0.9° | 0.0° |
O1 | C2 | C7 | H7 | 0.0° | 0.1° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 2.5° | 0.0° |
C3 | C2 | C7 | C6 | 1.2° | 0.5° |
C2 | C3 | C4 | H4 | 177.5° | 180.0° |
C3 | C2 | C7 | H7 | 178.8° | 179.7° |
C7 | C2 | C3 | C4 | 2.0° | 0.2° |
C2 | C7 | C6 | C5 | 0.8° | 0.5° |
C2 | C7 | C6 | H7 | 180.0° | 179.8° |
C7 | C2 | C3 | H3 | 178.0° | 179.8° |
C2 | C7 | C6 | H6 | 179.2° | 179.7° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 2.1° | 0.0° |
C3 | C4 | C5 | S8 | 177.3° | 180.0° |
C4 | C5 | C6 | S8 | 175.2° | 180.0° |
C4 | C5 | C6 | C7 | 1.2° | 0.3° |
C4 | C5 | S8 | O9 | 23.1° | 156.4° |
C4 | C5 | S8 | O10 | 149.4° | 23.6° |
C4 | C5 | S8 | N11 | 92.3° | 90.0° |
C5 | C4 | C3 | H3 | 177.5° | 180.0° |
C4 | C5 | C6 | H6 | 178.8° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.7° |
C6 | C5 | S8 | O9 | 161.8° | 23.5° |
C6 | C5 | S8 | O10 | 35.5° | 156.4° |
C6 | C5 | S8 | N11 | 82.8° | 90.0° |
C6 | C5 | C4 | H4 | 177.9° | 180.0° |
C5 | C6 | C7 | H7 | 179.2° | 179.7° |
S8 | C5 | C6 | C7 | 176.4° | 179.7° |
C5 | S8 | O9 | O10 | 125.3° | 122.9° |
C5 | S8 | O9 | N11 | 117.5° | 114.1° |
C5 | S8 | O10 | N11 | 118.7° | 114.1° |
C5 | S8 | N11 | C12 | 46.8° | 97.6° |
C5 | S8 | N11 | C16 | 85.9° | 82.4° |
S8 | C5 | C4 | H4 | 2.7° | 0.0° |
S8 | C5 | C6 | H6 | 3.6° | 0.0° |
O9 | S8 | O10 | N11 | 115.6° | 122.9° |
O9 | S8 | N11 | C12 | 72.7° | 16.0° |
O9 | S8 | N11 | C16 | 154.7° | 164.0° |
O10 | S8 | N11 | C12 | 167.0° | 148.9° |
O10 | S8 | N11 | C16 | 34.3° | 31.1° |
S8 | N11 | C12 | C16 | 132.5° | 180.0° |
S8 | N11 | C12 | C13 | 139.1° | 96.1° |
S8 | N11 | C16 | C17 | 119.9° | 93.3° |
S8 | N11 | C12 | H12 | 19.2° | 143.9° |
S8 | N11 | C12 | H12A | 100.9° | 23.9° |
S8 | N11 | C16 | H16 | 120.1° | 146.6° |
S8 | N11 | C16 | H16A | 0.1° | 26.6° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.1° |
N11 | C12 | C13 | C14 | 56.6° | 65.0° |
N11 | C12 | C13 | C15 | 177.2° | 55.0° |
C12 | N11 | C16 | C17 | 107.3° | 86.6° |
N11 | C12 | H12 | H12A | 118.9° | 120.0° |
N11 | C12 | C13 | H13 | 59.6° | 175.0° |
C12 | N11 | C16 | H16 | 12.7° | 33.4° |
C12 | N11 | C16 | H16A | 132.7° | 153.4° |
C16 | N11 | C12 | C13 | 88.4° | 83.9° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 120.0° | 119.9° |
N11 | C16 | C17 | O18 | 164.5° | 65.0° |
N11 | C16 | C17 | C19 | 72.6° | 175.0° |
C16 | N11 | C12 | H12 | 151.6° | 36.1° |
C16 | N11 | C12 | H12A | 31.6° | 156.0° |
N11 | C16 | H16 | H16A | 120.5° | 119.9° |
N11 | C16 | C17 | H17 | 44.8° | 55.0° |
C12 | C13 | C14 | C15 | 124.9° | 120.0° |
C12 | C13 | C14 | H13 | 117.7° | 120.0° |
C12 | C13 | C15 | H13 | 117.9° | 120.1° |
C12 | C13 | C14 | C20 | 161.7° | 68.0° |
C12 | C13 | C15 | C18 | 68.2° | 65.5° |
C13 | C12 | H12 | H12A | 118.9° | 120.0° |
C12 | C13 | C14 | H14 | 41.7° | 52.0° |
C12 | C13 | C14 | H14A | 78.3° | 172.0° |
C12 | C13 | C15 | H15 | 51.8° | 174.5° |
C12 | C13 | C15 | H15A | 171.8° | 54.4° |
C14 | C13 | C15 | H13 | 116.1° | 119.9° |
C13 | C14 | C20 | H14 | 120.0° | 120.0° |
C13 | C14 | C20 | H14A | 120.0° | 120.0° |
C14 | C13 | C15 | C18 | 57.8° | 174.5° |
C14 | C13 | C12 | H12 | 63.4° | 175.0° |
C14 | C13 | C12 | H12A | 176.6° | 55.1° |
C13 | C14 | H14 | H14A | 118.7° | 120.0° |
C14 | C13 | C15 | H15 | 177.8° | 54.4° |
C14 | C13 | C15 | H15A | 62.2° | 65.6° |
C13 | C14 | C20 | H20 | 180.0° | 179.3° |
C13 | C14 | C20 | H20A | 60.0° | 60.7° |
C13 | C14 | C20 | H20B | 60.0° | 59.3° |
C15 | C13 | C14 | C20 | 73.3° | 171.9° |
C13 | C15 | C18 | H15 | 120.0° | 120.0° |
C13 | C15 | C18 | H15A | 120.0° | 119.9° |
C15 | C13 | C12 | H12 | 62.8° | 65.0° |
C15 | C13 | C12 | H12A | 57.2° | 175.0° |
C15 | C13 | C14 | H14 | 166.7° | 68.0° |
C15 | C13 | C14 | H14A | 46.7° | 52.0° |
C13 | C15 | H15 | H15A | 118.0° | 120.0° |
C13 | C15 | C18 | H18 | 180.0° | 60.1° |
C13 | C15 | C18 | H18A | 60.0° | 180.0° |
C13 | C15 | C18 | H18B | 60.0° | 60.0° |
C20 | C14 | C13 | H13 | 44.0° | 52.0° |
C20 | C14 | H14 | H14A | 118.7° | 120.0° |
C14 | C20 | H20 | H20A | 120.0° | 120.1° |
C14 | C20 | H20 | H20B | 120.0° | 120.0° |
C14 | C20 | H20A | H20B | 120.0° | 120.0° |
C18 | C15 | C13 | H13 | 173.9° | 54.5° |
C18 | C15 | H15 | H15A | 118.0° | 120.0° |
C15 | C18 | H18 | H18A | 120.0° | 119.9° |
C15 | C18 | H18 | H18B | 120.0° | 120.1° |
C15 | C18 | H18A | H18B | 120.0° | 120.0° |
C16 | C17 | O18 | C19 | 125.1° | 120.0° |
C16 | C17 | O18 | H17 | 117.2° | 120.0° |
C16 | C17 | C19 | H17 | 117.0° | 120.1° |
C16 | C17 | C19 | N20 | 170.1° | 175.0° |
C16 | C17 | C19 | C32 | 69.6° | 64.9° |
C17 | C16 | H16 | H16A | 120.5° | 120.0° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 48.3° | 55.1° |
O18 | C17 | C19 | H17 | 119.8° | 120.0° |
O18 | C17 | C19 | N20 | 66.7° | 65.0° |
O18 | C17 | C19 | C32 | 53.6° | 55.0° |
O18 | C17 | C16 | H16 | 44.5° | 55.0° |
O18 | C17 | C16 | H16A | 75.5° | 175.1° |
O18 | C17 | C19 | H19 | 171.5° | 175.0° |
C17 | C19 | N20 | C32 | 122.4° | 120.1° |
C17 | C19 | N20 | H19 | 119.7° | 120.0° |
C17 | C19 | C32 | H19 | 119.6° | 120.0° |
C17 | C19 | N20 | C21 | 109.9° | 155.0° |
C17 | C19 | C32 | C38 | 179.9° | 175.0° |
C19 | C17 | C16 | H16 | 167.3° | 65.0° |
C19 | C17 | C16 | H16A | 47.4° | 55.1° |
C19 | C17 | O18 | HO18 | 54.9° | 60.0° |
C17 | C19 | N20 | HN20 | 70.1° | 24.9° |
C17 | C19 | C32 | H32 | 59.9° | 65.0° |
C17 | C19 | C32 | H32A | 60.1° | 54.9° |
N20 | C19 | C32 | H19 | 121.8° | 119.9° |
C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
C19 | N20 | C21 | O22 | 0.5° | 0.0° |
C19 | N20 | C21 | O23 | 178.1° | 180.0° |
N20 | C19 | C32 | C38 | 61.3° | 65.0° |
N20 | C19 | C17 | H17 | 53.1° | 55.0° |
N20 | C19 | C32 | H32 | 58.8° | 55.1° |
N20 | C19 | C32 | H32A | 178.8° | 175.0° |
C32 | C19 | N20 | C21 | 127.7° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 110.3° | 90.0° |
C19 | C32 | C38 | C37 | 69.8° | 90.0° |
C32 | C19 | C17 | H17 | 173.4° | 175.0° |
C32 | C19 | N20 | HN20 | 52.3° | 95.1° |
C19 | C32 | H32 | H32A | 120.1° | 119.9° |
N20 | C21 | O22 | O23 | 178.5° | 180.0° |
N20 | C21 | O23 | C24 | 168.7° | 180.0° |
C21 | N20 | C19 | H19 | 9.7° | 35.0° |
O22 | C21 | O23 | C24 | 10.1° | 0.0° |
O22 | C21 | N20 | HN20 | 179.5° | 179.9° |
C21 | O23 | C24 | C25 | 141.8° | 91.5° |
C21 | O23 | C24 | C31 | 106.0° | 153.2° |
O23 | C21 | N20 | HN20 | 1.9° | 0.1° |
C21 | O23 | C24 | H24 | 16.5° | 30.8° |
O23 | C24 | C25 | C31 | 115.1° | 118.8° |
O23 | C24 | C25 | H24 | 122.9° | 122.3° |
O23 | C24 | C31 | H24 | 123.7° | 122.3° |
O23 | C24 | C25 | O26 | 79.2° | 115.3° |
O23 | C24 | C31 | C27 | 83.7° | 136.5° |
O23 | C24 | C31 | C30 | 30.3° | 29.8° |
O23 | C24 | C25 | H25 | 160.8° | 125.2° |
O23 | C24 | C25 | H25A | 40.8° | 4.1° |
O23 | C24 | C31 | H31 | 148.8° | 99.5° |
C25 | C24 | C31 | H24 | 125.5° | 118.9° |
C24 | C25 | O26 | H25 | 120.0° | 119.5° |
C24 | C25 | O26 | H25A | 120.0° | 119.5° |
C24 | C25 | O26 | C27 | 31.2° | 25.7° |
C25 | C24 | C31 | C27 | 27.2° | 17.7° |
C25 | C24 | C31 | C30 | 141.1° | 89.0° |
C24 | C25 | H25 | H25A | 123.1° | 121.1° |
C25 | C24 | C31 | H31 | 100.3° | 141.7° |
C31 | C24 | C25 | O26 | 35.9° | 3.4° |
C24 | C31 | C27 | O26 | 8.6° | 33.1° |
C24 | C31 | C27 | O28 | 111.9° | 147.3° |
C24 | C31 | C27 | C30 | 123.5° | 112.5° |
C24 | C31 | C27 | H31 | 118.8° | 123.7° |
C24 | C31 | C30 | C29 | 91.2° | 140.9° |
C24 | C31 | C30 | H31 | 119.8° | 128.8° |
C31 | C24 | C25 | H25 | 84.1° | 116.0° |
C31 | C24 | C25 | H25A | 155.9° | 122.9° |
C24 | C31 | C27 | H27 | 128.7° | 89.5° |
C24 | C31 | C30 | H30 | 148.8° | 100.9° |
C24 | C31 | C30 | H30A | 28.8° | 22.6° |
C25 | O26 | C27 | O28 | 133.7° | 148.6° |
C25 | O26 | C27 | C31 | 14.7° | 37.0° |
O26 | C25 | C24 | H24 | 157.9° | 122.4° |
O26 | C25 | H25 | H25A | 123.2° | 121.0° |
C25 | O26 | C27 | H27 | 106.8° | 86.0° |
O26 | C27 | O28 | C31 | 118.4° | 110.9° |
O26 | C27 | O28 | H27 | 120.1° | 125.4° |
O26 | C27 | C31 | H27 | 120.1° | 122.5° |
O26 | C27 | O28 | C29 | 114.6° | 88.0° |
O26 | C27 | C31 | C30 | 132.1° | 79.4° |
C27 | O26 | C25 | H25 | 88.8° | 93.8° |
C27 | O26 | C25 | H25A | 151.2° | 145.2° |
O26 | C27 | C31 | H31 | 110.2° | 156.8° |
O28 | C27 | C31 | H27 | 119.4° | 123.2° |
C27 | O28 | C29 | C30 | 17.8° | 0.9° |
O28 | C27 | C31 | C30 | 11.6° | 34.8° |
C27 | O28 | C29 | H29 | 137.8° | 120.4° |
C27 | O28 | C29 | H29A | 102.2° | 118.6° |
O28 | C27 | C31 | H31 | 129.3° | 89.0° |
C31 | C27 | O28 | C29 | 3.8° | 22.8° |
C27 | C31 | C30 | C29 | 21.3° | 33.1° |
C27 | C31 | C30 | H31 | 127.6° | 123.4° |
C27 | C31 | C24 | H24 | 152.7° | 101.2° |
C27 | C31 | C30 | H30 | 98.7° | 151.4° |
C27 | C31 | C30 | H30A | 141.3° | 85.2° |
O28 | C29 | C30 | H29 | 120.0° | 119.5° |
O28 | C29 | C30 | H29A | 120.0° | 119.6° |
O28 | C29 | C30 | C31 | 24.3° | 21.3° |
C29 | O28 | C27 | H27 | 125.3° | 146.5° |
O28 | C29 | H29 | H29A | 120.9° | 120.9° |
O28 | C29 | C30 | H30 | 95.7° | 139.6° |
O28 | C29 | C30 | H30A | 144.3° | 97.0° |
C29 | C30 | C31 | H30 | 120.0° | 118.3° |
C29 | C30 | C31 | H30A | 120.0° | 118.3° |
C30 | C29 | H29 | H29A | 121.0° | 120.9° |
C29 | C30 | H30 | H30A | 122.2° | 123.4° |
C29 | C30 | C31 | H31 | 148.9° | 90.3° |
C30 | C31 | C24 | H24 | 93.4° | 152.1° |
C30 | C31 | C27 | H27 | 107.8° | 158.0° |
C31 | C30 | C29 | H29 | 144.3° | 98.2° |
C31 | C30 | C29 | H29A | 95.7° | 140.8° |
C31 | C30 | H30 | H30A | 122.2° | 123.4° |
C32 | C38 | C33 | C34 | 179.5° | 179.9° |
C32 | C38 | C33 | C37 | 180.0° | 179.9° |
C32 | C38 | C37 | C36 | 179.3° | 180.0° |
C38 | C32 | C19 | H19 | 60.5° | 55.0° |
C38 | C32 | H32 | H32A | 120.0° | 120.0° |
C32 | C38 | C33 | H33 | 0.5° | 0.3° |
C32 | C38 | C37 | H37 | 0.7° | 0.1° |
C34 | C33 | C38 | H33 | 180.0° | 179.8° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 0.6° | 0.0° |
C34 | C33 | C38 | C37 | 0.5° | 0.0° |
C33 | C34 | C35 | H35 | 179.4° | 179.9° |
C38 | C33 | C34 | C35 | 0.4° | 0.0° |
C33 | C38 | C37 | C36 | 0.8° | 0.0° |
C33 | C38 | C32 | H32 | 9.7° | 30.0° |
C33 | C38 | C32 | H32A | 129.7° | 150.0° |
C38 | C33 | C34 | H34 | 179.6° | 180.0° |
C33 | C38 | C37 | H37 | 179.3° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 0.9° | 0.0° |
C35 | C34 | C33 | H33 | 179.6° | 179.7° |
C34 | C35 | C36 | H36 | 179.1° | 180.0° |
C35 | C36 | C37 | H36 | 180.0° | 180.0° |
C35 | C36 | C37 | C38 | 0.9° | 0.0° |
C36 | C35 | C34 | H34 | 179.4° | 180.0° |
C35 | C36 | C37 | H37 | 179.1° | 180.0° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 179.1° | 179.9° |
C37 | C38 | C32 | H32 | 170.2° | 150.0° |
C37 | C38 | C32 | H32A | 50.3° | 30.1° |
C37 | C38 | C33 | H33 | 179.5° | 179.8° |
C38 | C37 | C36 | H36 | 179.1° | 180.0° |
H1 | C1 | H1A | H1B | 120.0° | 120.0° |
H3 | C3 | C4 | H4 | 2.5° | 0.0° |
H6 | C6 | C7 | H7 | 0.8° | 0.0° |
H12 | C12 | C13 | H13 | 179.6° | 55.0° |
H12A | C12 | C13 | H13 | 60.4° | 65.0° |
H13 | C13 | C14 | H14 | 76.0° | 172.0° |
H13 | C13 | C14 | H14A | 164.0° | 68.0° |
H13 | C13 | C15 | H15 | 66.1° | 65.5° |
H13 | C13 | C15 | H15A | 53.9° | 174.4° |
H14 | C14 | C20 | H20 | 60.0° | 59.3° |
H14 | C14 | C20 | H20A | 180.0° | 179.3° |
H14 | C14 | C20 | H20B | 59.9° | 60.7° |
H14A | C14 | C20 | H20 | 60.0° | 60.7° |
H14A | C14 | C20 | H20A | 60.0° | 59.3° |
H14A | C14 | C20 | H20B | 180.0° | 179.3° |
H15 | C15 | C18 | H18 | 60.0° | 59.9° |
H15 | C15 | C18 | H18A | 180.0° | 60.0° |
H15 | C15 | C18 | H18B | 60.0° | 180.0° |
H15A | C15 | C18 | H18 | 60.0° | 180.0° |
H15A | C15 | C18 | H18A | 60.0° | 60.1° |
H15A | C15 | C18 | H18B | 180.0° | 59.9° |
H16 | C16 | C17 | H17 | 75.2° | 175.0° |
H16A | C16 | C17 | H17 | 164.8° | 64.9° |
H17 | C17 | O18 | HO18 | 62.8° | 180.0° |
H17 | C17 | C19 | H19 | 68.7° | 65.0° |
H18 | C18 | H18A | H18B | 120.0° | 120.1° |
H19 | C19 | N20 | HN20 | 170.3° | 144.9° |
H19 | C19 | C32 | H32 | 179.5° | 175.0° |
H19 | C19 | C32 | H32A | 59.5° | 65.1° |
H20 | C20 | H20A | H20B | 120.0° | 119.9° |
H24 | C24 | C25 | H25 | 38.0° | 2.9° |
H24 | C24 | C25 | H25A | 82.0° | 118.1° |
H24 | C24 | C31 | H31 | 25.2° | 22.8° |
H27 | C27 | C31 | H31 | 9.8° | 34.2° |
H29 | C29 | C30 | H30 | 24.3° | 20.0° |
H29 | C29 | C30 | H30A | 95.7° | 143.5° |
H29A | C29 | C30 | H30 | 144.3° | 100.9° |
H29A | C29 | C30 | H30A | 24.3° | 22.6° |
H30 | C30 | C31 | H31 | 28.9° | 28.0° |
H30A | C30 | C31 | H31 | 91.1° | 151.4° |
H33 | C33 | C34 | H34 | 0.5° | 0.3° |
H34 | C34 | C35 | H35 | 0.6° | 0.1° |
H35 | C35 | C36 | H36 | 0.8° | 0.1° |
H36 | C36 | C37 | H37 | 0.9° | 0.1° |