K13
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.40Å | 1.35Å | |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.62Å | |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.43Å | |
S8 | O10 | doub | 1.42Å | 1.43Å | |
S8 | N11 | sing | 1.66Å | 1.62Å | |
N11 | C12 | sing | 1.47Å | 1.48Å | |
N11 | C16 | sing | 1.47Å | 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 | 1.54Å | |
C19 | N20 | sing | 1.46Å | 1.45Å | |
C19 | C32 | sing | 1.53Å | 1.53Å | |
N20 | C21 | sing | 1.35Å | 1.33Å | |
C21 | O22 | doub | 1.22Å | 1.21Å | |
C21 | O23 | sing | 1.35Å | 1.44Å | |
O23 | C24 | sing | 1.45Å | 1.41Å | |
C24 | C25 | sing | 1.54Å | 1.52Å | |
C24 | C31 | sing | 1.54Å | 1.52Å | |
C25 | O26 | sing | 1.43Å | 1.44Å | |
O26 | C27 | sing | 1.44Å | 1.43Å | |
C27 | O28 | sing | 1.43Å | 1.42Å | |
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 | 1.39Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N1 | HN1A | sing | 0.97Å | 1.00Å | |
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 | |
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 | C2 | C3 | 121.0° | 120.1° |
N1 | C2 | C7 | 118.5° | 120.0° |
C2 | N1 | HN1 | 109.5° | 119.9° |
C2 | N1 | HN1A | 109.4° | 120.0° |
C3 | C2 | C7 | 120.5° | 119.8° |
C2 | C3 | C4 | 118.6° | 120.0° |
C2 | C3 | H3 | 120.8° | 120.0° |
C2 | C7 | C6 | 120.3° | 119.9° |
C2 | C7 | H7 | 119.9° | 120.0° |
C3 | C4 | C5 | 121.3° | 120.1° |
C4 | C3 | H3 | 120.7° | 120.1° |
C3 | C4 | H4 | 119.4° | 120.0° |
C4 | C5 | C6 | 118.6° | 120.2° |
C4 | C5 | S8 | 122.5° | 119.9° |
C5 | C4 | H4 | 119.4° | 119.9° |
C6 | C5 | S8 | 118.9° | 119.9° |
C5 | C6 | C7 | 120.8° | 120.0° |
C5 | C6 | H6 | 119.6° | 120.0° |
C5 | S8 | O9 | 110.6° | 106.4° |
C5 | S8 | O10 | 110.6° | 106.4° |
C5 | S8 | N11 | 111.6° | 107.2° |
C7 | C6 | H6 | 119.6° | 120.0° |
C6 | C7 | H7 | 119.9° | 120.0° |
O9 | S8 | O10 | 110.5° | 123.2° |
O9 | S8 | N11 | 108.6° | 106.4° |
O10 | S8 | N11 | 104.7° | 106.4° |
S8 | N11 | C12 | 112.9° | 120.0° |
S8 | N11 | C16 | 114.1° | 120.0° |
C12 | N11 | C16 | 114.0° | 120.0° |
N11 | C12 | C13 | 110.4° | 109.5° |
N11 | C12 | H12 | 109.2° | 109.4° |
N11 | C12 | H12A | 109.2° | 109.5° |
N11 | C16 | C17 | 107.7° | 109.5° |
N11 | C16 | H16 | 110.0° | 109.5° |
N11 | C16 | H16A | 110.0° | 109.4° |
C12 | C13 | C14 | 113.4° | 109.5° |
C12 | C13 | C15 | 109.5° | 109.5° |
C13 | C12 | H12 | 109.2° | 109.5° |
C13 | C12 | H12A | 109.2° | 109.5° |
C12 | C13 | H13 | 107.8° | 109.4° |
C14 | C13 | C15 | 112.4° | 109.5° |
C14 | C13 | H13 | 104.6° | 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 | 113.1° | 109.5° |
C15 | C13 | H13 | 108.9° | 109.5° |
C13 | C15 | H15 | 108.3° | 109.4° |
C13 | C15 | H15A | 108.3° | 109.5° |
C18 | C15 | H15 | 108.3° | 109.4° |
C18 | C15 | H15A | 108.3° | 109.5° |
C15 | C18 | H18 | 109.5° | 109.5° |
C15 | C18 | H18A | 109.4° | 109.5° |
C15 | C18 | H18B | 109.5° | 109.5° |
C16 | C17 | O18 | 108.6° | 109.5° |
C16 | C17 | C19 | 113.7° | 109.5° |
C17 | C16 | H16 | 110.1° | 109.4° |
C17 | C16 | H16A | 110.0° | 109.5° |
C16 | C17 | H17 | 107.5° | 109.4° |
O18 | C17 | C19 | 110.4° | 109.5° |
O18 | C17 | H17 | 111.0° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 106.9° | 109.5° |
C17 | C19 | C32 | 114.6° | 109.4° |
C19 | C17 | H17 | 105.6° | 109.5° |
C17 | C19 | H19 | 107.8° | 109.5° |
N20 | C19 | C32 | 109.4° | 109.4° |
C19 | N20 | C21 | 126.1° | 120.0° |
N20 | C19 | H19 | 113.1° | 109.5° |
C19 | N20 | HN20 | 117.0° | 120.0° |
C19 | C32 | C38 | 110.6° | 109.5° |
C32 | C19 | H19 | 105.1° | 109.5° |
C19 | C32 | H32 | 109.1° | 109.5° |
C19 | C32 | H32A | 109.1° | 109.4° |
N20 | C21 | O22 | 127.2° | 120.0° |
N20 | C21 | O23 | 112.5° | 120.0° |
C21 | N20 | HN20 | 117.0° | 120.0° |
O22 | C21 | O23 | 120.3° | 120.0° |
C21 | O23 | C24 | 121.3° | 117.0° |
O23 | C24 | C25 | 104.9° | 110.4° |
O23 | C24 | C31 | 111.9° | 110.4° |
O23 | C24 | H24 | 109.3° | 110.4° |
C25 | C24 | C31 | 104.1° | 104.7° |
C24 | C25 | O26 | 104.6° | 107.4° |
C25 | C24 | H24 | 116.5° | 110.3° |
C24 | C25 | H25 | 111.1° | 109.9° |
C24 | C25 | H25A | 111.1° | 109.8° |
C24 | C31 | C27 | 103.9° | 102.8° |
C24 | C31 | C30 | 117.4° | 108.8° |
C31 | C24 | H24 | 110.0° | 110.4° |
C24 | C31 | H31 | 106.6° | 113.9° |
C25 | O26 | C27 | 110.0° | 107.9° |
O26 | C25 | H25 | 111.1° | 109.9° |
O26 | C25 | H25A | 111.2° | 109.8° |
O26 | C27 | O28 | 111.4° | 108.8° |
O26 | C27 | C31 | 107.7° | 104.0° |
O26 | C27 | H27 | 108.4° | 112.6° |
O28 | C27 | C31 | 106.6° | 105.1° |
C27 | O28 | C29 | 111.7° | 110.4° |
O28 | C27 | H27 | 109.6° | 112.5° |
C27 | C31 | C30 | 104.7° | 101.2° |
C31 | C27 | H27 | 113.1° | 113.2° |
C27 | C31 | H31 | 119.0° | 114.2° |
O28 | C29 | C30 | 105.2° | 107.6° |
O28 | C29 | H29 | 110.9° | 109.8° |
O28 | C29 | H29A | 110.9° | 109.8° |
C29 | C30 | C31 | 103.5° | 102.6° |
C30 | C29 | H29 | 110.9° | 109.9° |
C30 | C29 | H29A | 110.9° | 109.8° |
C29 | C30 | H30 | 111.5° | 110.8° |
C29 | C30 | H30A | 111.5° | 110.8° |
C31 | C30 | H30 | 111.5° | 110.8° |
C31 | C30 | H30A | 111.5° | 110.8° |
C30 | C31 | H31 | 105.9° | 114.6° |
C32 | C38 | C33 | 121.4° | 120.0° |
C32 | C38 | C37 | 120.6° | 120.0° |
C38 | C32 | H32 | 109.1° | 109.5° |
C38 | C32 | H32A | 109.1° | 109.5° |
C34 | C33 | C38 | 120.7° | 120.0° |
C33 | C34 | C35 | 121.0° | 120.0° |
C34 | C33 | H33 | 119.7° | 120.0° |
C33 | C34 | H34 | 119.5° | 120.0° |
C33 | C38 | C37 | 118.0° | 120.0° |
C38 | C33 | H33 | 119.6° | 120.0° |
C34 | C35 | C36 | 118.4° | 120.0° |
C35 | C34 | H34 | 119.5° | 120.0° |
C34 | C35 | H35 | 120.8° | 120.0° |
C35 | C36 | C37 | 120.5° | 120.0° |
C36 | C35 | H35 | 120.8° | 120.0° |
C35 | C36 | H36 | 119.8° | 120.0° |
C36 | C37 | C38 | 121.4° | 120.0° |
C37 | C36 | H36 | 119.7° | 120.0° |
C36 | C37 | H37 | 119.3° | 120.0° |
C38 | C37 | H37 | 119.3° | 120.0° |
HN1 | N1 | HN1A | 109.5° | 120.0° |
H12 | C12 | H12A | 109.8° | 109.4° |
H14 | C14 | H14A | 109.5° | 109.5° |
H14 | C14 | H14B | 109.4° | 109.4° |
H14A | C14 | H14B | 109.4° | 109.5° |
H15 | C15 | H15A | 110.7° | 109.5° |
H16 | C16 | H16A | 108.9° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.4° |
H18 | C18 | H18B | 109.4° | 109.4° |
H18A | C18 | H18B | 109.5° | 109.5° |
H25 | C25 | H25A | 107.7° | 110.0° |
H29 | C29 | H29A | 108.0° | 109.9° |
H30 | C30 | H30A | 107.3° | 110.8° |
H32 | C32 | H32A | 109.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | C3 | C7 | 179.4° | 179.8° |
N1 | C2 | C3 | C4 | 179.4° | 179.9° |
N1 | C2 | C7 | C6 | 179.9° | 179.7° |
C2 | N1 | HN1 | HN1A | 120.0° | 179.7° |
N1 | C2 | C3 | H3 | 0.5° | 0.0° |
N1 | C2 | C7 | H7 | 0.1° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.3° | 0.1° |
C3 | C2 | C7 | C6 | 0.6° | 0.5° |
C3 | C2 | N1 | HN1 | 180.0° | 0.0° |
C3 | C2 | N1 | HN1A | 60.0° | 179.7° |
C2 | C3 | C4 | H4 | 179.7° | 180.0° |
C3 | C2 | C7 | H7 | 179.4° | 179.8° |
C7 | C2 | C3 | C4 | 0.1° | 0.2° |
C2 | C7 | C6 | C5 | 0.7° | 0.5° |
C2 | C7 | C6 | H7 | 180.0° | 179.8° |
C7 | C2 | N1 | HN1 | 0.6° | 179.8° |
C7 | C2 | N1 | HN1A | 120.6° | 0.5° |
C7 | C2 | C3 | H3 | 179.9° | 179.8° |
C2 | C7 | C6 | H6 | 179.3° | 179.8° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 0.2° | 0.0° |
C3 | C4 | C5 | S8 | 178.8° | 180.0° |
C4 | C5 | C6 | S8 | 179.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.3° | 0.3° |
C4 | C5 | S8 | O9 | 154.5° | 156.5° |
C4 | C5 | S8 | O10 | 31.8° | 23.6° |
C4 | C5 | S8 | N11 | 84.4° | 90.0° |
C5 | C4 | C3 | H3 | 179.7° | 179.9° |
C4 | C5 | C6 | H6 | 179.7° | 179.9° |
C5 | C6 | C7 | H6 | 180.0° | 179.7° |
C6 | C5 | S8 | O9 | 26.5° | 23.5° |
C6 | C5 | S8 | O10 | 149.3° | 156.4° |
C6 | C5 | S8 | N11 | 94.6° | 90.0° |
C6 | C5 | C4 | H4 | 179.8° | 180.0° |
C5 | C6 | C7 | H7 | 179.3° | 179.7° |
S8 | C5 | C6 | C7 | 179.3° | 179.7° |
C5 | S8 | O9 | O10 | 122.9° | 123.0° |
C5 | S8 | O9 | N11 | 122.9° | 114.1° |
C5 | S8 | O10 | N11 | 120.4° | 114.1° |
C5 | S8 | N11 | C12 | 53.3° | 90.0° |
C5 | S8 | N11 | C16 | 79.0° | 90.0° |
S8 | C5 | C4 | H4 | 1.2° | 0.0° |
S8 | C5 | C6 | H6 | 0.7° | 0.1° |
O9 | S8 | O10 | N11 | 116.7° | 122.9° |
O9 | S8 | N11 | C12 | 175.5° | 23.5° |
O9 | S8 | N11 | C16 | 43.3° | 156.5° |
O10 | S8 | N11 | C12 | 66.5° | 156.4° |
O10 | S8 | N11 | C16 | 161.3° | 23.6° |
S8 | N11 | C12 | C16 | 132.3° | 180.0° |
S8 | N11 | C12 | C13 | 146.5° | 93.4° |
S8 | N11 | C16 | C17 | 119.3° | 94.1° |
S8 | N11 | C12 | H12 | 26.5° | 146.6° |
S8 | N11 | C12 | H12A | 93.5° | 26.7° |
S8 | N11 | C16 | H16 | 120.7° | 145.9° |
S8 | N11 | C16 | H16A | 0.7° | 25.9° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 120.0° | 120.0° |
N11 | C12 | C13 | C14 | 59.9° | 65.3° |
N11 | C12 | C13 | C15 | 173.7° | 174.7° |
C12 | N11 | C16 | C17 | 109.0° | 85.9° |
N11 | C12 | H12 | H12A | 119.6° | 119.9° |
N11 | C12 | C13 | H13 | 55.4° | 54.7° |
C12 | N11 | C16 | H16 | 11.0° | 34.1° |
C12 | N11 | C16 | H16A | 131.0° | 154.1° |
C16 | N11 | C12 | C13 | 81.2° | 86.6° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 120.0° | 120.0° |
N11 | C16 | C17 | O18 | 166.9° | 65.0° |
N11 | C16 | C17 | C19 | 69.8° | 175.0° |
C16 | N11 | C12 | H12 | 158.8° | 33.4° |
C16 | N11 | C12 | H12A | 38.8° | 153.3° |
N11 | C16 | H16 | H16A | 120.7° | 119.9° |
N11 | C16 | C17 | H17 | 46.8° | 55.0° |
C12 | C13 | C14 | C15 | 124.8° | 120.0° |
C12 | C13 | C14 | H13 | 117.2° | 120.0° |
C12 | C13 | C15 | H13 | 117.7° | 119.9° |
C12 | C13 | C15 | C18 | 68.2° | 175.0° |
C13 | C12 | H12 | H12A | 119.6° | 120.0° |
C12 | C13 | C14 | H14 | 180.0° | 173.0° |
C12 | C13 | C14 | H14A | 60.0° | 66.9° |
C12 | C13 | C14 | H14B | 60.0° | 53.1° |
C12 | C13 | C15 | H15 | 51.8° | 65.1° |
C12 | C13 | C15 | H15A | 171.8° | 55.0° |
C14 | C13 | C15 | H13 | 115.4° | 120.0° |
C14 | C13 | C15 | C18 | 58.7° | 65.0° |
C14 | C13 | C12 | H12 | 60.1° | 54.7° |
C14 | C13 | C12 | H12A | 179.9° | 174.7° |
C13 | C14 | H14 | H14A | 120.0° | 120.1° |
C13 | C14 | H14 | H14B | 120.0° | 120.0° |
C13 | C14 | H14A | H14B | 120.0° | 120.0° |
C14 | C13 | C15 | H15 | 178.7° | 55.0° |
C14 | C13 | C15 | H15A | 61.3° | 175.0° |
C13 | C15 | C18 | H15 | 120.0° | 119.9° |
C13 | C15 | C18 | H15A | 120.0° | 120.0° |
C15 | C13 | C12 | H12 | 66.3° | 65.4° |
C15 | C13 | C12 | H12A | 53.7° | 54.6° |
C15 | C13 | C14 | H14 | 55.1° | 53.0° |
C15 | C13 | C14 | H14A | 175.2° | 173.0° |
C15 | C13 | C14 | H14B | 64.9° | 67.0° |
C13 | C15 | H15 | H15A | 118.5° | 120.1° |
C13 | C15 | C18 | H18 | 180.0° | 60.0° |
C13 | C15 | C18 | H18A | 60.0° | 59.9° |
C13 | C15 | C18 | H18B | 60.0° | 180.0° |
C18 | C15 | C13 | H13 | 174.1° | 55.1° |
C18 | C15 | H15 | H15A | 118.6° | 120.0° |
C15 | C18 | H18 | H18A | 120.0° | 120.0° |
C15 | C18 | H18 | H18B | 120.0° | 120.0° |
C15 | C18 | H18A | H18B | 120.0° | 120.1° |
C16 | C17 | O18 | C19 | 125.3° | 120.0° |
C16 | C17 | O18 | H17 | 118.0° | 119.9° |
C16 | C17 | C19 | H17 | 117.6° | 119.9° |
C16 | C17 | C19 | N20 | 168.0° | 175.0° |
C16 | C17 | C19 | C32 | 70.5° | 65.1° |
C17 | C16 | H16 | H16A | 120.7° | 120.1° |
C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
C16 | C17 | C19 | H19 | 46.1° | 54.9° |
O18 | C17 | C19 | H17 | 120.0° | 120.0° |
O18 | C17 | C19 | N20 | 69.6° | 65.0° |
O18 | C17 | C19 | C32 | 51.8° | 55.0° |
O18 | C17 | C16 | H16 | 46.9° | 55.0° |
O18 | C17 | C16 | H16A | 73.1° | 175.0° |
O18 | C17 | C19 | H19 | 168.5° | 175.0° |
C17 | C19 | N20 | C32 | 124.7° | 119.9° |
C17 | C19 | N20 | H19 | 118.5° | 120.1° |
C17 | C19 | C32 | H19 | 118.2° | 120.0° |
C17 | C19 | N20 | C21 | 109.9° | 155.0° |
C17 | C19 | C32 | C38 | 178.5° | 175.0° |
C19 | C17 | C16 | H16 | 170.3° | 65.1° |
C19 | C17 | C16 | H16A | 50.2° | 55.0° |
C19 | C17 | O18 | HO18 | 54.7° | 60.0° |
C17 | C19 | N20 | HN20 | 70.1° | 24.9° |
C17 | C19 | C32 | H32 | 58.5° | 64.9° |
C17 | C19 | C32 | H32A | 61.5° | 55.0° |
N20 | C19 | C32 | H19 | 121.8° | 120.0° |
C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
C19 | N20 | C21 | O22 | 0.6° | 0.0° |
C19 | N20 | C21 | O23 | 179.9° | 180.0° |
N20 | C19 | C32 | C38 | 58.5° | 65.0° |
N20 | C19 | C17 | H17 | 50.4° | 55.1° |
N20 | C19 | C32 | H32 | 61.5° | 55.0° |
N20 | C19 | C32 | H32A | 178.5° | 175.0° |
C32 | C19 | N20 | C21 | 125.5° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.1° |
C19 | C32 | C38 | H32A | 120.0° | 120.0° |
C19 | C32 | C38 | C33 | 108.7° | 90.0° |
C19 | C32 | C38 | C37 | 71.0° | 90.0° |
C32 | C19 | C17 | H17 | 171.9° | 175.0° |
C32 | C19 | N20 | HN20 | 54.5° | 95.0° |
C19 | C32 | H32 | H32A | 119.6° | 120.0° |
N20 | C21 | O22 | O23 | 179.4° | 180.0° |
N20 | C21 | O23 | C24 | 167.2° | 180.0° |
C21 | N20 | C19 | H19 | 8.6° | 35.0° |
O22 | C21 | O23 | C24 | 13.3° | 0.0° |
O22 | C21 | N20 | HN20 | 179.4° | 179.9° |
C21 | O23 | C24 | C25 | 146.9° | 91.4° |
C21 | O23 | C24 | C31 | 100.8° | 153.2° |
O23 | C21 | N20 | HN20 | 0.1° | 0.0° |
C21 | O23 | C24 | H24 | 21.3° | 30.8° |
O23 | C24 | C25 | C31 | 117.8° | 118.9° |
O23 | C24 | C25 | H24 | 120.9° | 122.3° |
O23 | C24 | C31 | H24 | 121.7° | 122.4° |
O23 | C24 | C25 | O26 | 86.5° | 115.3° |
O23 | C24 | C31 | C27 | 87.0° | 136.5° |
O23 | C24 | C31 | C30 | 28.0° | 29.8° |
O23 | C24 | C25 | H25 | 153.4° | 125.1° |
O23 | C24 | C25 | H25A | 33.5° | 4.0° |
O23 | C24 | C31 | H31 | 146.5° | 99.4° |
C25 | C24 | C31 | H24 | 125.5° | 118.8° |
C24 | C25 | O26 | H25 | 120.0° | 119.5° |
C24 | C25 | O26 | H25A | 120.0° | 119.3° |
C24 | C25 | O26 | C27 | 24.9° | 25.7° |
C25 | C24 | C31 | C27 | 25.8° | 17.6° |
C25 | C24 | C31 | C30 | 140.8° | 89.1° |
C24 | C25 | H25 | H25A | 122.0° | 121.0° |
C25 | C24 | C31 | H31 | 100.7° | 141.7° |
C31 | C24 | C25 | O26 | 31.2° | 3.5° |
C24 | C31 | C27 | O26 | 11.5° | 33.0° |
C24 | C31 | C27 | O28 | 108.2° | 147.3° |
C24 | C31 | C27 | C30 | 123.7° | 112.5° |
C24 | C31 | C27 | H31 | 118.3° | 123.8° |
C24 | C31 | C30 | C29 | 88.0° | 140.9° |
C24 | C31 | C30 | H31 | 118.9° | 128.8° |
C31 | C24 | C25 | H25 | 88.8° | 116.0° |
C31 | C24 | C25 | H25A | 151.3° | 122.9° |
C24 | C31 | C27 | H27 | 131.4° | 89.5° |
C24 | C31 | C30 | H30 | 152.0° | 100.8° |
C24 | C31 | C30 | H30A | 32.0° | 22.6° |
C25 | O26 | C27 | O28 | 125.1° | 148.6° |
C25 | O26 | C27 | C31 | 8.5° | 37.0° |
O26 | C25 | C24 | H24 | 152.5° | 122.4° |
O26 | C25 | H25 | H25A | 122.0° | 121.1° |
C25 | O26 | C27 | H27 | 114.3° | 85.9° |
O26 | C27 | O28 | C31 | 117.3° | 110.9° |
O26 | C27 | O28 | H27 | 120.0° | 125.5° |
O26 | C27 | C31 | H27 | 119.8° | 122.5° |
O26 | C27 | O28 | C29 | 114.7° | 88.1° |
O26 | C27 | C31 | C30 | 135.3° | 79.4° |
C27 | O26 | C25 | H25 | 95.1° | 93.8° |
C27 | O26 | C25 | H25A | 145.0° | 145.1° |
O26 | C27 | C31 | H31 | 106.8° | 156.9° |
O28 | C27 | C31 | H27 | 120.5° | 123.2° |
C27 | O28 | C29 | C30 | 19.8° | 0.9° |
O28 | C27 | C31 | C30 | 15.6° | 34.8° |
C27 | O28 | C29 | H29 | 139.8° | 120.5° |
C27 | O28 | C29 | H29A | 100.2° | 118.6° |
O28 | C27 | C31 | H31 | 133.5° | 88.9° |
C31 | C27 | O28 | C29 | 2.6° | 22.8° |
C27 | C31 | C30 | C29 | 26.6° | 33.1° |
C27 | C31 | C30 | H31 | 126.5° | 123.4° |
C27 | C31 | C24 | H24 | 151.3° | 101.1° |
C27 | C31 | C30 | H30 | 93.4° | 151.4° |
C27 | C31 | C30 | H30A | 146.6° | 85.2° |
O28 | C29 | C30 | H29 | 120.0° | 119.6° |
O28 | C29 | C30 | H29A | 120.0° | 119.5° |
O28 | C29 | C30 | C31 | 28.4° | 21.3° |
C29 | O28 | C27 | H27 | 125.3° | 146.5° |
O28 | C29 | H29 | H29A | 121.7° | 120.9° |
O28 | C29 | C30 | H30 | 91.6° | 139.6° |
O28 | C29 | C30 | H30A | 148.4° | 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 | 122.4° | 123.5° |
C29 | C30 | C31 | H31 | 153.1° | 90.3° |
C30 | C31 | C24 | H24 | 93.7° | 152.1° |
C30 | C31 | C27 | H27 | 104.9° | 158.0° |
C31 | C30 | C29 | H29 | 148.4° | 98.3° |
C31 | C30 | C29 | H29A | 91.7° | 140.8° |
C31 | C30 | H30 | H30A | 122.4° | 123.4° |
C32 | C38 | C33 | C34 | 178.1° | 180.0° |
C32 | C38 | C33 | C37 | 179.7° | 180.0° |
C32 | C38 | C37 | C36 | 178.3° | 180.0° |
C38 | C32 | C19 | H19 | 63.3° | 55.0° |
C38 | C32 | H32 | H32A | 119.5° | 120.0° |
C32 | C38 | C33 | H33 | 1.9° | 0.3° |
C32 | C38 | C37 | H37 | 1.7° | 0.0° |
C34 | C33 | C38 | H33 | 180.0° | 179.7° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 2.0° | 0.1° |
C34 | C33 | C38 | C37 | 1.6° | 0.0° |
C33 | C34 | C35 | H35 | 178.0° | 180.0° |
C38 | C33 | C34 | C35 | 2.0° | 0.0° |
C33 | C38 | C37 | C36 | 1.4° | 0.0° |
C33 | C38 | C32 | H32 | 11.3° | 30.0° |
C33 | C38 | C32 | H32A | 131.3° | 150.0° |
C38 | C33 | C34 | H34 | 178.1° | 180.0° |
C33 | C38 | C37 | H37 | 178.6° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C34 | C35 | C36 | C37 | 1.8° | 0.0° |
C35 | C34 | C33 | H33 | 178.1° | 179.7° |
C34 | C35 | C36 | H36 | 178.2° | 180.0° |
C35 | C36 | C37 | H36 | 180.0° | 180.0° |
C35 | C36 | C37 | C38 | 1.6° | 0.0° |
C36 | C35 | C34 | H34 | 178.0° | 180.0° |
C35 | C36 | C37 | H37 | 178.4° | 179.9° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 178.2° | 180.0° |
C37 | C38 | C32 | H32 | 169.0° | 150.0° |
C37 | C38 | C32 | H32A | 49.0° | 30.0° |
C37 | C38 | C33 | H33 | 178.4° | 179.7° |
C38 | C37 | C36 | H36 | 178.4° | 180.0° |
H3 | C3 | C4 | H4 | 0.3° | 0.0° |
H6 | C6 | C7 | H7 | 0.7° | 0.1° |
H12 | C12 | C13 | H13 | 175.4° | 174.7° |
H12A | C12 | C13 | H13 | 64.6° | 65.3° |
H13 | C13 | C14 | H14 | 62.9° | 67.0° |
H13 | C13 | C14 | H14A | 57.2° | 53.0° |
H13 | C13 | C14 | H14B | 177.2° | 173.0° |
H13 | C13 | C15 | H15 | 65.9° | 175.0° |
H13 | C13 | C15 | H15A | 54.1° | 65.0° |
H14 | C14 | H14A | H14B | 120.0° | 119.9° |
H15 | C15 | C18 | H18 | 60.0° | 179.9° |
H15 | C15 | C18 | H18A | 180.0° | 60.0° |
H15 | C15 | C18 | H18B | 60.0° | 60.1° |
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 | 73.2° | 175.0° |
H16A | C16 | C17 | H17 | 166.7° | 65.0° |
H17 | C17 | O18 | HO18 | 62.1° | 179.9° |
H17 | C17 | C19 | H19 | 71.5° | 65.0° |
H18 | C18 | H18A | H18B | 120.0° | 119.9° |
H19 | C19 | N20 | HN20 | 171.4° | 145.0° |
H19 | C19 | C32 | H32 | 176.7° | 175.0° |
H19 | C19 | C32 | H32A | 56.7° | 65.0° |
H24 | C24 | C25 | H25 | 32.5° | 2.8° |
H24 | C24 | C25 | H25A | 87.4° | 118.3° |
H24 | C24 | C31 | H31 | 24.8° | 22.9° |
H27 | C27 | C31 | H31 | 13.0° | 34.3° |
H29 | C29 | C30 | H30 | 28.4° | 20.0° |
H29 | C29 | C30 | H30A | 91.6° | 143.5° |
H29A | C29 | C30 | H30 | 148.3° | 101.0° |
H29A | C29 | C30 | H30A | 28.3° | 22.5° |
H30 | C30 | C31 | H31 | 33.1° | 28.0° |
H30A | C30 | C31 | H31 | 86.9° | 151.4° |
H33 | C33 | C34 | H34 | 1.9° | 0.3° |
H34 | C34 | C35 | H35 | 2.0° | 0.0° |
H35 | C35 | C36 | H36 | 1.8° | 0.0° |
H36 | C36 | C37 | H37 | 1.6° | 0.0° |