G05
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | O39 | sing | 1.36Å | 1.37Å | |
C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
O39 | C40 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.75Å | |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
S8 | O9 | doub | 1.42Å | 1.47Å | |
S8 | O10 | doub | 1.42Å | 1.45Å | |
S8 | N11 | sing | 1.66Å | 1.66Å | |
N11 | C12 | sing | 1.46Å | 1.45Å | |
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 | 1.55Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
C17 | C19 | sing | 1.53Å | 1.53Å | |
C19 | N20 | sing | 1.46Å | 1.47Å | |
C19 | C32 | sing | 1.53Å | 1.51Å | |
N20 | C21 | sing | 1.35Å | 1.30Å | |
C21 | O22 | doub | 1.22Å | 1.25Å | |
C21 | O23 | sing | 1.35Å | 1.35Å | |
O23 | C24 | sing | 1.45Å | 1.45Å | |
C24 | C25 | sing | 1.54Å | 1.54Å | |
C24 | C41 | sing | 1.54Å | 1.53Å | |
C25 | C26 | sing | 1.55Å | 1.54Å | |
C26 | O27 | sing | 1.43Å | 1.48Å | |
C26 | C31 | sing | 1.54Å | 1.48Å | |
O27 | C28 | sing | 1.43Å | 1.44Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C29 | O30 | sing | 1.43Å | 1.43Å | |
O30 | C31 | sing | 1.41Å | 1.44Å | |
C31 | C41 | sing | 1.54Å | 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 | 1.39Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
C40 | H40 | sing | 1.09Å | 1.10Å | |
C40 | H40A | sing | 1.09Å | 1.10Å | |
C40 | H40B | 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 | |
C14 | H14B | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C15 | H15B | 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 | |
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 | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H28A | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H29A | sing | 1.09Å | 1.10Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C41 | H41 | sing | 1.09Å | 1.10Å | |
C41 | H41A | 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) |
O39 | C2 | C3 | 126.8° | 120.0° |
O39 | C2 | C7 | 112.2° | 120.1° |
C2 | O39 | C40 | 112.5° | 117.0° |
C3 | C2 | C7 | 120.2° | 119.9° |
C2 | C3 | C4 | 118.9° | 119.9° |
C2 | C3 | H3 | 120.5° | 120.1° |
C2 | C7 | C6 | 121.2° | 120.0° |
C2 | C7 | H7 | 119.4° | 120.0° |
O39 | C40 | H40 | 109.5° | 109.5° |
O39 | C40 | H40A | 109.4° | 109.4° |
O39 | C40 | H40B | 109.4° | 109.5° |
C3 | C4 | C5 | 121.1° | 120.1° |
C4 | C3 | H3 | 120.5° | 120.0° |
C3 | C4 | H4 | 119.4° | 119.9° |
C4 | C5 | C6 | 120.2° | 120.1° |
C4 | C5 | S8 | 118.8° | 120.0° |
C5 | C4 | H4 | 119.5° | 120.0° |
C6 | C5 | S8 | 120.8° | 119.9° |
C5 | C6 | C7 | 118.3° | 120.0° |
C5 | C6 | H6 | 120.9° | 120.0° |
C5 | S8 | O9 | 107.8° | 106.4° |
C5 | S8 | O10 | 107.4° | 106.4° |
C5 | S8 | N11 | 109.3° | 107.2° |
C7 | C6 | H6 | 120.8° | 120.0° |
C6 | C7 | H7 | 119.4° | 120.0° |
O9 | S8 | O10 | 118.3° | 123.1° |
O9 | S8 | N11 | 106.7° | 106.4° |
O10 | S8 | N11 | 107.1° | 106.5° |
S8 | N11 | C12 | 115.5° | 120.0° |
S8 | N11 | C16 | 118.1° | 119.9° |
C12 | N11 | C16 | 117.2° | 120.0° |
N11 | C12 | C13 | 116.0° | 109.5° |
N11 | C12 | H12 | 107.4° | 109.5° |
N11 | C12 | H12A | 105.9° | 109.4° |
N11 | C16 | C17 | 111.4° | 109.4° |
N11 | C16 | H16 | 108.8° | 109.5° |
N11 | C16 | H16A | 108.4° | 109.5° |
C12 | C13 | C14 | 111.5° | 109.5° |
C12 | C13 | C15 | 108.7° | 109.5° |
C13 | C12 | H12 | 107.4° | 109.5° |
C13 | C12 | H12A | 105.8° | 109.5° |
C12 | C13 | H13 | 109.4° | 109.4° |
C14 | C13 | C15 | 111.4° | 109.5° |
C14 | C13 | H13 | 106.5° | 109.5° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H14A | 109.5° | 109.5° |
C13 | C14 | H14B | 109.4° | 109.5° |
C15 | C13 | H13 | 109.4° | 109.5° |
C13 | C15 | H15 | 109.5° | 109.5° |
C13 | C15 | H15A | 109.5° | 109.5° |
C13 | C15 | H15B | 109.5° | 109.5° |
C16 | C17 | O18 | 109.4° | 109.5° |
C16 | C17 | C19 | 113.8° | 109.5° |
C17 | C16 | H16 | 108.8° | 109.4° |
C17 | C16 | H16A | 108.4° | 109.4° |
C16 | C17 | H17 | 106.7° | 109.5° |
O18 | C17 | C19 | 109.8° | 109.5° |
O18 | C17 | H17 | 110.9° | 109.5° |
C17 | O18 | HO18 | 109.5° | 114.0° |
C17 | C19 | N20 | 107.7° | 109.5° |
C17 | C19 | C32 | 114.0° | 109.5° |
C19 | C17 | H17 | 106.3° | 109.5° |
C17 | C19 | H19 | 106.8° | 109.5° |
N20 | C19 | C32 | 106.8° | 109.5° |
C19 | N20 | C21 | 123.3° | 120.0° |
N20 | C19 | H19 | 113.9° | 109.5° |
C19 | N20 | HN20 | 118.4° | 119.9° |
C19 | C32 | C38 | 113.2° | 109.5° |
C32 | C19 | H19 | 107.7° | 109.4° |
C19 | C32 | H32 | 108.2° | 109.5° |
C19 | C32 | H32A | 107.4° | 109.5° |
N20 | C21 | O22 | 126.8° | 120.0° |
N20 | C21 | O23 | 112.9° | 120.0° |
C21 | N20 | HN20 | 118.4° | 120.0° |
O22 | C21 | O23 | 120.3° | 120.0° |
C21 | O23 | C24 | 117.1° | 117.0° |
O23 | C24 | C25 | 104.9° | 110.0° |
O23 | C24 | C41 | 109.2° | 110.0° |
O23 | C24 | H24 | 110.6° | 110.0° |
C25 | C24 | C41 | 102.8° | 106.6° |
C24 | C25 | C26 | 106.6° | 106.5° |
C25 | C24 | H24 | 116.3° | 110.0° |
C24 | C25 | H25 | 110.5° | 110.0° |
C24 | C25 | H25A | 111.1° | 110.1° |
C24 | C41 | C31 | 108.5° | 103.9° |
C41 | C24 | H24 | 112.5° | 110.1° |
C24 | C41 | H41 | 109.8° | 110.6° |
C24 | C41 | H41A | 110.0° | 110.6° |
C25 | C26 | O27 | 106.7° | 107.1° |
C25 | C26 | C31 | 102.7° | 103.6° |
C26 | C25 | H25 | 110.4° | 110.0° |
C26 | C25 | H25A | 111.1° | 110.1° |
C25 | C26 | H26 | 115.2° | 111.6° |
O27 | C26 | C31 | 108.8° | 110.3° |
C26 | O27 | C28 | 111.2° | 115.1° |
O27 | C26 | H26 | 109.7° | 111.5° |
C26 | C31 | O30 | 115.7° | 112.4° |
C26 | C31 | C41 | 106.8° | 103.4° |
C31 | C26 | H26 | 113.3° | 112.4° |
C26 | C31 | H31 | 109.4° | 109.7° |
O27 | C28 | C29 | 107.4° | 108.3° |
O27 | C28 | H28 | 110.2° | 109.7° |
O27 | C28 | H28A | 110.6° | 109.7° |
C28 | C29 | O30 | 107.7° | 108.1° |
C29 | C28 | H28 | 110.2° | 109.7° |
C29 | C28 | H28A | 110.6° | 109.7° |
C28 | C29 | H29 | 110.1° | 109.8° |
C28 | C29 | H29A | 110.4° | 109.7° |
C29 | O30 | C31 | 110.4° | 115.6° |
O30 | C29 | H29 | 110.1° | 109.8° |
O30 | C29 | H29A | 110.4° | 109.7° |
O30 | C31 | C41 | 115.4° | 111.7° |
O30 | C31 | H31 | 99.4° | 109.8° |
C41 | C31 | H31 | 109.8° | 109.8° |
C31 | C41 | H41 | 109.8° | 110.6° |
C31 | C41 | H41A | 110.0° | 110.5° |
C32 | C38 | C33 | 122.2° | 120.0° |
C32 | C38 | C37 | 119.4° | 120.0° |
C38 | C32 | H32 | 108.2° | 109.5° |
C38 | C32 | H32A | 107.4° | 109.5° |
C34 | C33 | C38 | 121.5° | 120.0° |
C33 | C34 | C35 | 121.0° | 120.1° |
C34 | C33 | H33 | 119.2° | 120.0° |
C33 | C34 | H34 | 119.5° | 119.9° |
C33 | C38 | C37 | 118.2° | 120.0° |
C38 | C33 | H33 | 119.2° | 120.0° |
C34 | C35 | C36 | 117.4° | 120.0° |
C35 | C34 | H34 | 119.5° | 120.0° |
C34 | C35 | H35 | 121.3° | 120.1° |
C35 | C36 | C37 | 121.6° | 120.0° |
C36 | C35 | H35 | 121.3° | 120.0° |
C35 | C36 | H36 | 119.2° | 120.0° |
C36 | C37 | C38 | 120.3° | 120.0° |
C37 | C36 | H36 | 119.2° | 120.0° |
C36 | C37 | H37 | 119.9° | 120.0° |
C38 | C37 | H37 | 119.9° | 120.0° |
H40 | C40 | H40A | 109.5° | 109.4° |
H40 | C40 | H40B | 109.5° | 109.5° |
H40A | C40 | H40B | 109.5° | 109.5° |
H12 | C12 | H12A | 114.7° | 109.5° |
H14 | C14 | H14A | 109.5° | 109.5° |
H14 | C14 | H14B | 109.5° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.4° |
H15 | C15 | H15A | 109.4° | 109.5° |
H15 | C15 | H15B | 109.5° | 109.5° |
H15A | C15 | H15B | 109.5° | 109.5° |
H16 | C16 | H16A | 111.0° | 109.5° |
H25 | C25 | H25A | 107.3° | 110.1° |
H28 | C28 | H28A | 107.8° | 109.7° |
H29 | C29 | H29A | 108.1° | 109.8° |
H41 | C41 | H41A | 108.8° | 110.6° |
H32 | C32 | H32A | 112.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O39 | C2 | C3 | C7 | 168.7° | 179.8° |
O39 | C2 | C3 | C4 | 171.5° | 180.0° |
O39 | C2 | C7 | C6 | 172.9° | 179.7° |
C2 | O39 | C40 | H40 | 103.7° | 180.0° |
C2 | O39 | C40 | H40A | 136.4° | 60.0° |
C2 | O39 | C40 | H40B | 16.3° | 60.0° |
O39 | C2 | C3 | H3 | 8.5° | 0.0° |
O39 | C2 | C7 | H7 | 7.1° | 0.0° |
C3 | C2 | O39 | C40 | 9.5° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 1.8° | 0.1° |
C3 | C2 | C7 | C6 | 2.6° | 0.5° |
C2 | C3 | C4 | H4 | 178.2° | 180.0° |
C3 | C2 | C7 | H7 | 177.4° | 179.8° |
C7 | C2 | O39 | C40 | 179.0° | 0.3° |
C7 | C2 | C3 | C4 | 2.8° | 0.2° |
C2 | C7 | C6 | C5 | 1.3° | 0.6° |
C2 | C7 | C6 | H7 | 180.0° | 179.7° |
C7 | C2 | C3 | H3 | 177.2° | 179.7° |
C2 | C7 | C6 | H6 | 178.7° | 179.8° |
O39 | C40 | H40 | H40A | 120.0° | 119.9° |
O39 | C40 | H40 | H40B | 120.0° | 120.0° |
O39 | C40 | H40A | H40B | 120.0° | 120.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.5° | 0.0° |
C3 | C4 | C5 | S8 | 174.4° | 180.0° |
C4 | C5 | C6 | S8 | 174.9° | 180.0° |
C4 | C5 | C6 | C7 | 0.3° | 0.3° |
C4 | C5 | S8 | O9 | 151.6° | 156.4° |
C4 | C5 | S8 | O10 | 23.1° | 23.6° |
C4 | C5 | S8 | N11 | 92.8° | 90.0° |
C5 | C4 | C3 | H3 | 178.2° | 180.0° |
C4 | C5 | C6 | H6 | 179.7° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.7° |
C6 | C5 | S8 | O9 | 33.4° | 23.5° |
C6 | C5 | S8 | O10 | 162.0° | 156.4° |
C6 | C5 | S8 | N11 | 82.2° | 90.0° |
C6 | C5 | C4 | H4 | 179.5° | 180.0° |
C5 | C6 | C7 | H7 | 178.7° | 179.7° |
S8 | C5 | C6 | C7 | 174.6° | 179.7° |
C5 | S8 | O9 | O10 | 122.0° | 122.9° |
C5 | S8 | O9 | N11 | 117.4° | 114.1° |
C5 | S8 | O10 | N11 | 117.3° | 114.1° |
C5 | S8 | N11 | C12 | 57.4° | 90.0° |
C5 | S8 | N11 | C16 | 88.6° | 90.0° |
S8 | C5 | C4 | H4 | 5.6° | 0.0° |
S8 | C5 | C6 | H6 | 5.4° | 0.1° |
O9 | S8 | O10 | N11 | 120.5° | 123.0° |
O9 | S8 | N11 | C12 | 173.7° | 23.5° |
O9 | S8 | N11 | C16 | 27.7° | 156.5° |
O10 | S8 | N11 | C12 | 58.6° | 156.4° |
O10 | S8 | N11 | C16 | 155.4° | 23.5° |
S8 | N11 | C12 | C16 | 146.3° | 180.0° |
S8 | N11 | C12 | C13 | 136.2° | 95.0° |
S8 | N11 | C16 | C17 | 113.6° | 95.0° |
S8 | N11 | C12 | H12 | 16.2° | 145.0° |
S8 | N11 | C12 | H12A | 106.8° | 25.0° |
S8 | N11 | C16 | H16 | 126.4° | 145.0° |
S8 | N11 | C16 | H16A | 5.6° | 24.9° |
N11 | C12 | C13 | H12 | 120.0° | 120.0° |
N11 | C12 | C13 | H12A | 117.0° | 120.0° |
N11 | C12 | C13 | C14 | 61.5° | 175.0° |
N11 | C12 | C13 | C15 | 175.3° | 65.0° |
C12 | N11 | C16 | C17 | 101.0° | 85.0° |
N11 | C12 | H12 | H12A | 117.4° | 120.0° |
N11 | C12 | C13 | H13 | 56.0° | 55.0° |
C12 | N11 | C16 | H16 | 19.0° | 35.0° |
C12 | N11 | C16 | H16A | 139.8° | 155.0° |
C16 | N11 | C12 | C13 | 77.5° | 85.0° |
N11 | C16 | C17 | H16 | 120.0° | 120.0° |
N11 | C16 | C17 | H16A | 119.2° | 120.0° |
N11 | C16 | C17 | O18 | 168.0° | 64.9° |
N11 | C16 | C17 | C19 | 68.8° | 175.0° |
C16 | N11 | C12 | H12 | 162.5° | 35.0° |
C16 | N11 | C12 | H12A | 39.5° | 155.0° |
N11 | C16 | H16 | H16A | 119.2° | 120.1° |
N11 | C16 | C17 | H17 | 48.1° | 55.0° |
C12 | C13 | C14 | C15 | 121.6° | 120.0° |
C12 | C13 | C14 | H13 | 119.2° | 119.9° |
C12 | C13 | C15 | H13 | 119.3° | 119.9° |
C13 | C12 | H12 | H12A | 117.3° | 120.0° |
C12 | C13 | C14 | H14 | 11.8° | 60.1° |
C12 | C13 | C14 | H14A | 108.2° | 180.0° |
C12 | C13 | C14 | H14B | 131.8° | 60.0° |
C12 | C13 | C15 | H15 | 38.6° | 60.1° |
C12 | C13 | C15 | H15A | 81.4° | 60.0° |
C12 | C13 | C15 | H15B | 158.6° | 180.0° |
C14 | C13 | C15 | H13 | 117.5° | 120.0° |
C14 | C13 | C12 | H12 | 58.5° | 55.0° |
C14 | C13 | C12 | H12A | 178.5° | 65.0° |
C13 | C14 | H14 | H14A | 120.0° | 120.0° |
C13 | C14 | H14 | H14B | 120.0° | 120.0° |
C13 | C14 | H14A | H14B | 119.9° | 120.0° |
C14 | C13 | C15 | H15 | 84.6° | 60.0° |
C14 | C13 | C15 | H15A | 155.4° | 180.0° |
C14 | C13 | C15 | H15B | 35.4° | 60.0° |
C15 | C13 | C12 | H12 | 64.7° | 175.0° |
C15 | C13 | C12 | H12A | 58.3° | 55.0° |
C15 | C13 | C14 | H14 | 133.4° | 60.0° |
C15 | C13 | C14 | H14A | 13.4° | 60.0° |
C15 | C13 | C14 | H14B | 106.6° | 180.0° |
C13 | C15 | H15 | H15A | 120.0° | 120.0° |
C13 | C15 | H15 | H15B | 120.0° | 120.0° |
C13 | C15 | H15A | H15B | 120.0° | 120.0° |
C16 | C17 | O18 | C19 | 125.5° | 120.0° |
C16 | C17 | O18 | H17 | 117.4° | 120.0° |
C16 | C17 | C19 | H17 | 117.1° | 120.0° |
C16 | C17 | C19 | N20 | 171.8° | 175.0° |
C16 | C17 | C19 | C32 | 69.9° | 65.0° |
C17 | C16 | H16 | H16A | 119.2° | 120.0° |
C16 | C17 | O18 | HO18 | 100.0° | 60.0° |
C16 | C17 | C19 | H19 | 49.0° | 55.0° |
O18 | C17 | C19 | H17 | 120.0° | 120.0° |
O18 | C17 | C19 | N20 | 65.3° | 65.0° |
O18 | C17 | C19 | C32 | 53.1° | 55.0° |
O18 | C17 | C16 | H16 | 48.0° | 55.0° |
O18 | C17 | C16 | H16A | 72.8° | 175.0° |
O18 | C17 | C19 | H19 | 171.9° | 175.0° |
C17 | C19 | N20 | C32 | 122.9° | 120.0° |
C17 | C19 | N20 | H19 | 118.3° | 120.0° |
C17 | C19 | C32 | H19 | 118.3° | 120.0° |
C17 | C19 | N20 | C21 | 109.0° | 155.0° |
C17 | C19 | C32 | C38 | 179.8° | 175.0° |
C19 | C17 | C16 | H16 | 171.2° | 65.0° |
C19 | C17 | C16 | H16A | 50.4° | 55.0° |
C19 | C17 | O18 | HO18 | 134.5° | 60.0° |
C17 | C19 | N20 | HN20 | 70.9° | 25.0° |
C17 | C19 | C32 | H32 | 59.8° | 65.0° |
C17 | C19 | C32 | H32A | 61.8° | 55.0° |
N20 | C19 | C32 | H19 | 122.8° | 120.0° |
C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
C19 | N20 | C21 | O22 | 0.6° | 0.1° |
C19 | N20 | C21 | O23 | 179.2° | 180.0° |
N20 | C19 | C32 | C38 | 61.0° | 64.9° |
N20 | C19 | C17 | H17 | 54.7° | 55.0° |
N20 | C19 | C32 | H32 | 59.0° | 55.0° |
N20 | C19 | C32 | H32A | 179.3° | 175.0° |
C32 | C19 | N20 | C21 | 128.1° | 85.0° |
C19 | C32 | C38 | H32 | 120.0° | 120.0° |
C19 | C32 | C38 | H32A | 118.4° | 120.0° |
C19 | C32 | C38 | C33 | 100.0° | 90.0° |
C19 | C32 | C38 | C37 | 73.3° | 90.0° |
C32 | C19 | C17 | H17 | 173.0° | 175.0° |
C32 | C19 | N20 | HN20 | 51.9° | 95.1° |
C19 | C32 | H32 | H32A | 118.5° | 120.0° |
N20 | C21 | O22 | O23 | 179.8° | 180.0° |
N20 | C21 | O23 | C24 | 176.7° | 180.0° |
C21 | N20 | C19 | H19 | 9.3° | 35.0° |
O22 | C21 | O23 | C24 | 3.5° | 0.0° |
O22 | C21 | N20 | HN20 | 179.4° | 180.0° |
C21 | O23 | C24 | C25 | 173.3° | 150.0° |
C21 | O23 | C24 | C41 | 77.2° | 92.9° |
O23 | C21 | N20 | HN20 | 0.8° | 0.1° |
C21 | O23 | C24 | H24 | 47.1° | 28.6° |
O23 | C24 | C25 | C41 | 114.1° | 119.2° |
O23 | C24 | C25 | H24 | 122.5° | 121.4° |
O23 | C24 | C41 | H24 | 123.2° | 121.5° |
O23 | C24 | C25 | C26 | 89.2° | 118.5° |
O23 | C24 | C41 | C31 | 105.8° | 142.4° |
O23 | C24 | C25 | H25 | 150.8° | 122.3° |
O23 | C24 | C25 | H25A | 31.9° | 0.8° |
O23 | C24 | C41 | H41 | 14.2° | 23.7° |
O23 | C24 | C41 | H41A | 133.9° | 99.1° |
C25 | C24 | C41 | H24 | 125.9° | 119.3° |
C24 | C25 | C26 | H25 | 120.0° | 119.2° |
C24 | C25 | C26 | H25A | 121.1° | 119.3° |
C24 | C25 | C26 | O27 | 78.5° | 92.2° |
C24 | C25 | C26 | C31 | 35.9° | 24.4° |
C25 | C24 | C41 | C31 | 5.2° | 23.1° |
C24 | C25 | H25 | H25A | 121.2° | 121.5° |
C24 | C25 | C26 | H26 | 159.5° | 145.5° |
C25 | C24 | C41 | H41 | 125.2° | 95.5° |
C25 | C24 | C41 | H41A | 115.2° | 141.7° |
C41 | C24 | C25 | C26 | 24.9° | 0.8° |
C24 | C41 | C31 | C26 | 17.3° | 38.4° |
C24 | C41 | C31 | O30 | 147.5° | 159.4° |
C24 | C41 | C31 | H41 | 120.0° | 118.7° |
C24 | C41 | C31 | H41A | 120.4° | 118.6° |
C41 | C24 | C25 | H25 | 95.0° | 118.4° |
C41 | C24 | C25 | H25A | 146.1° | 120.1° |
C24 | C41 | C31 | H31 | 101.2° | 78.7° |
C24 | C41 | H41 | H41A | 120.4° | 122.8° |
C25 | C26 | O27 | C31 | 110.2° | 112.1° |
C25 | C26 | O27 | H26 | 125.4° | 122.4° |
C25 | C26 | C31 | H26 | 124.9° | 120.6° |
C25 | C26 | O27 | C28 | 164.9° | 164.2° |
C25 | C26 | C31 | O30 | 162.0° | 159.3° |
C25 | C26 | C31 | C41 | 32.0° | 38.8° |
C26 | C25 | C24 | H24 | 148.3° | 120.1° |
C26 | C25 | H25 | H25A | 121.2° | 121.5° |
C25 | C26 | C31 | H31 | 86.7° | 78.3° |
O27 | C26 | C31 | H26 | 122.3° | 125.0° |
C26 | O27 | C28 | C29 | 63.6° | 59.7° |
O27 | C26 | C31 | O30 | 49.2° | 45.0° |
O27 | C26 | C31 | C41 | 80.9° | 75.6° |
O27 | C26 | C25 | H25 | 161.5° | 148.6° |
O27 | C26 | C25 | H25A | 42.6° | 27.1° |
C26 | O27 | C28 | H28 | 56.5° | 60.0° |
C26 | O27 | C28 | H28A | 175.6° | 179.4° |
O27 | C26 | C31 | H31 | 160.4° | 167.4° |
C31 | C26 | O27 | C28 | 54.7° | 52.1° |
C26 | C31 | O30 | C29 | 53.7° | 50.8° |
C26 | C31 | O30 | C41 | 125.7° | 115.7° |
C26 | C31 | O30 | H31 | 117.0° | 122.4° |
C26 | C31 | C41 | H31 | 118.5° | 117.0° |
C31 | C26 | C25 | H25 | 84.1° | 94.8° |
C31 | C26 | C25 | H25A | 157.0° | 143.6° |
C26 | C31 | C41 | H41 | 102.7° | 80.3° |
C26 | C31 | C41 | H41A | 137.7° | 157.0° |
O27 | C28 | C29 | H28 | 120.0° | 119.7° |
O27 | C28 | C29 | H28A | 120.8° | 119.8° |
O27 | C28 | C29 | O30 | 65.3° | 58.8° |
C28 | O27 | C26 | H26 | 69.7° | 73.4° |
O27 | C28 | H28 | H28A | 120.8° | 120.6° |
O27 | C28 | C29 | H29 | 174.7° | 178.4° |
O27 | C28 | C29 | H29A | 55.4° | 60.9° |
C28 | C29 | O30 | H29 | 120.0° | 119.7° |
C28 | C29 | O30 | H29A | 120.7° | 119.6° |
C28 | C29 | O30 | C31 | 59.1° | 57.2° |
C29 | C28 | H28 | H28A | 120.8° | 120.6° |
C28 | C29 | H29 | H29A | 120.7° | 120.7° |
C29 | O30 | C31 | C41 | 72.0° | 64.8° |
O30 | C29 | C28 | H28 | 54.7° | 60.9° |
O30 | C29 | C28 | H28A | 173.8° | 178.5° |
O30 | C29 | H29 | H29A | 120.7° | 120.7° |
C29 | O30 | C31 | H31 | 170.7° | 173.2° |
O30 | C31 | C41 | H31 | 111.3° | 122.0° |
O30 | C31 | C26 | H26 | 73.1° | 80.1° |
C31 | O30 | C29 | H29 | 179.1° | 176.9° |
C31 | O30 | C29 | H29A | 61.6° | 62.4° |
O30 | C31 | C41 | H41 | 27.5° | 40.7° |
O30 | C31 | C41 | H41A | 92.2° | 82.0° |
C31 | C41 | C24 | H24 | 131.0° | 96.2° |
C41 | C31 | C26 | H26 | 156.9° | 159.4° |
C31 | C41 | H41 | H41A | 120.4° | 122.7° |
C32 | C38 | C33 | C34 | 171.8° | 180.0° |
C32 | C38 | C33 | C37 | 173.4° | 180.0° |
C32 | C38 | C37 | C36 | 172.9° | 179.9° |
C38 | C32 | C19 | H19 | 61.8° | 55.0° |
C38 | C32 | H32 | H32A | 118.5° | 120.0° |
C32 | C38 | C33 | H33 | 8.2° | 0.3° |
C32 | C38 | C37 | H37 | 7.1° | 0.0° |
C34 | C33 | C38 | H33 | 180.0° | 179.7° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 1.1° | 0.0° |
C34 | C33 | C38 | C37 | 1.6° | 0.0° |
C33 | C34 | C35 | H35 | 178.9° | 179.9° |
C38 | C33 | C34 | C35 | 1.8° | 0.0° |
C33 | C38 | C37 | C36 | 0.6° | 0.1° |
C33 | C38 | C32 | H32 | 19.9° | 30.0° |
C33 | C38 | C32 | H32A | 141.6° | 150.0° |
C38 | C33 | C34 | H34 | 178.2° | 180.0° |
C33 | C38 | C37 | H37 | 179.3° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C34 | C35 | C36 | C37 | 0.2° | 0.1° |
C35 | C34 | C33 | H33 | 178.2° | 179.7° |
C34 | C35 | C36 | H36 | 179.8° | 179.9° |
C35 | C36 | C37 | H36 | 180.0° | 179.9° |
C35 | C36 | C37 | C38 | 0.0° | 0.1° |
C36 | C35 | C34 | H34 | 179.0° | 180.0° |
C35 | C36 | C37 | H37 | 180.0° | 180.0° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C37 | C36 | C35 | H35 | 179.8° | 179.9° |
C37 | C38 | C32 | H32 | 166.8° | 150.0° |
C37 | C38 | C32 | H32A | 45.1° | 30.0° |
C37 | C38 | C33 | H33 | 178.4° | 179.7° |
C38 | C37 | C36 | H36 | 180.0° | 180.0° |
H40 | C40 | H40A | H40B | 120.0° | 120.0° |
H3 | C3 | C4 | H4 | 1.7° | 0.0° |
H6 | C6 | C7 | H7 | 1.3° | 0.1° |
H12 | C12 | C13 | H13 | 176.0° | 65.0° |
H12A | C12 | C13 | H13 | 61.0° | 175.0° |
H13 | C13 | C14 | H14 | 107.4° | 180.0° |
H13 | C13 | C14 | H14A | 132.6° | 60.0° |
H13 | C13 | C14 | H14B | 12.6° | 60.0° |
H13 | C13 | C15 | H15 | 157.9° | 180.0° |
H13 | C13 | C15 | H15A | 38.0° | 60.0° |
H13 | C13 | C15 | H15B | 82.0° | 60.0° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
H15 | C15 | H15A | H15B | 120.0° | 120.0° |
H16 | C16 | C17 | H17 | 71.9° | 175.0° |
H16A | C16 | C17 | H17 | 167.2° | 65.0° |
H17 | C17 | O18 | HO18 | 17.4° | 180.0° |
H17 | C17 | C19 | H19 | 68.1° | 65.0° |
H19 | C19 | N20 | HN20 | 170.8° | 145.0° |
H19 | C19 | C32 | H32 | 178.2° | 175.0° |
H19 | C19 | C32 | H32A | 56.5° | 65.0° |
H24 | C24 | C25 | H25 | 28.3° | 0.9° |
H24 | C24 | C25 | H25A | 90.6° | 120.5° |
H24 | C24 | C41 | H41 | 109.0° | 145.2° |
H24 | C24 | C41 | H41A | 10.7° | 22.4° |
H25 | C25 | C26 | H26 | 39.5° | 26.3° |
H25A | C25 | C26 | H26 | 79.4° | 95.2° |
H26 | C26 | C31 | H31 | 38.1° | 42.3° |
H28 | C28 | C29 | H29 | 65.3° | 58.8° |
H28 | C28 | C29 | H29A | 175.4° | 179.4° |
H28A | C28 | C29 | H29 | 53.8° | 61.8° |
H28A | C28 | C29 | H29A | 65.5° | 58.9° |
H31 | C31 | C41 | H41 | 138.8° | 162.7° |
H31 | C31 | C41 | H41A | 19.1° | 39.9° |
H33 | C33 | C34 | H34 | 1.8° | 0.3° |
H34 | C34 | C35 | H35 | 1.1° | 0.0° |
H35 | C35 | C36 | H36 | 0.2° | 0.0° |
H36 | C36 | C37 | H37 | 0.0° | 0.1° |