GR8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C41 | C42 | sing | 1.53Å | 1.52Å | |
C41 | C25 | sing | 1.52Å | 1.53Å | |
C15 | C13 | sing | 1.53Å | 1.53Å | |
C42 | O43 | sing | 1.43Å | 1.45Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C25 | C26 | sing | 1.52Å | 1.50Å | |
C25 | C24 | sing | 1.55Å | 1.51Å | |
O43 | C27 | sing | 1.41Å | 1.43Å | |
C13 | C12 | sing | 1.53Å | 1.54Å | |
C26 | C27 | sing | 1.51Å | 1.49Å | |
C26 | C30 | sing | 1.55Å | 1.52Å | |
C24 | O23 | sing | 1.45Å | 1.43Å | |
C24 | C31 | sing | 1.55Å | 1.53Å | |
C27 | O28 | sing | 1.45Å | 1.44Å | |
O23 | C21 | sing | 1.35Å | 1.34Å | |
O22 | C21 | doub | 1.22Å | 1.24Å | |
C12 | N11 | sing | 1.46Å | 1.45Å | |
C31 | C30 | sing | 1.54Å | 1.52Å | |
C21 | N20 | sing | 1.35Å | 1.33Å | |
C30 | C29 | sing | 1.54Å | 1.51Å | |
C57 | C56 | sing | 1.53Å | 1.50Å | |
C57 | C55 | sing | 1.53Å | 1.51Å | |
O28 | C29 | sing | 1.45Å | 1.42Å | |
O10 | S8 | doub | 1.42Å | 1.48Å | |
N11 | S8 | sing | 1.66Å | 1.64Å | |
N11 | C16 | sing | 1.47Å | 1.45Å | |
N20 | C19 | sing | 1.46Å | 1.48Å | |
S51 | C3 | sing | 1.76Å | 1.75Å | Aromatic |
S51 | C53 | sing | 1.76Å | 1.76Å | Aromatic |
C17 | C19 | sing | 1.53Å | 1.51Å | |
C17 | C16 | sing | 1.53Å | 1.53Å | |
C17 | O18 | sing | 1.43Å | 1.43Å | |
C4 | C3 | doub | 1.39Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C56 | C55 | sing | 1.53Å | 1.52Å | |
S8 | C5 | sing | 1.76Å | 1.75Å | |
S8 | O9 | doub | 1.42Å | 1.45Å | |
C19 | C32 | sing | 1.53Å | 1.52Å | |
C55 | N54 | sing | 1.46Å | 1.46Å | |
C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
C53 | N54 | sing | 1.38Å | 1.30Å | |
C53 | N52 | doub | 1.29Å | 1.30Å | Aromatic |
F62 | C36 | sing | 1.35Å | 1.35Å | |
C32 | C38 | sing | 1.51Å | 1.51Å | |
C2 | N52 | sing | 1.35Å | 1.32Å | Aromatic |
C2 | C7 | doub | 1.41Å | 1.36Å | Aromatic |
C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
C38 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | sing | 1.37Å | 1.39Å | Aromatic |
C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
C34 | F61 | sing | 1.35Å | 1.36Å | |
N54 | H1 | sing | 0.97Å | 1.00Å | |
C55 | H2 | sing | 1.09Å | 1.10Å | |
C56 | H3 | sing | 1.09Å | 1.10Å | |
C56 | H4 | sing | 1.09Å | 1.10Å | |
C57 | H5 | sing | 1.09Å | 1.10Å | |
C57 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.08Å | 1.08Å | |
C6 | H8 | sing | 1.08Å | 1.08Å | |
C7 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H16 | sing | 1.09Å | 1.10Å | |
C15 | H17 | sing | 1.09Å | 1.10Å | |
C15 | H18 | sing | 1.09Å | 1.10Å | |
C16 | H19 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.09Å | 1.10Å | |
C17 | H21 | sing | 1.09Å | 1.10Å | |
O18 | H22 | sing | 0.97Å | 0.95Å | |
C19 | H23 | sing | 1.09Å | 1.10Å | |
N20 | H24 | sing | 0.97Å | 1.00Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H31 | sing | 1.09Å | 1.10Å | |
C31 | H32 | sing | 1.09Å | 1.10Å | |
C31 | H33 | sing | 1.09Å | 1.10Å | |
C41 | H34 | sing | 1.09Å | 1.10Å | |
C41 | H35 | sing | 1.09Å | 1.10Å | |
C42 | H36 | sing | 1.09Å | 1.10Å | |
C42 | H37 | sing | 1.09Å | 1.10Å | |
C32 | H38 | sing | 1.09Å | 1.10Å | |
C32 | H39 | sing | 1.09Å | 1.10Å | |
C33 | H40 | sing | 1.08Å | 1.08Å | |
C35 | H41 | sing | 1.08Å | 1.08Å | |
C37 | H42 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C42 | C41 | C25 | 109.8° | 108.7° |
C41 | C42 | O43 | 108.5° | 106.9° |
C42 | C41 | H34 | 109.4° | 109.6° |
C42 | C41 | H35 | 109.4° | 109.6° |
C41 | C42 | H36 | 109.7° | 110.0° |
C41 | C42 | H37 | 109.7° | 109.9° |
C41 | C25 | C26 | 113.5° | 113.2° |
C41 | C25 | C24 | 116.6° | 107.7° |
C41 | C25 | H26 | 106.0° | 110.6° |
C25 | C41 | H34 | 109.4° | 109.6° |
C25 | C41 | H35 | 109.4° | 109.6° |
C15 | C13 | C14 | 110.9° | 109.5° |
C15 | C13 | C12 | 108.1° | 109.5° |
C15 | C13 | H12 | 110.1° | 109.5° |
C13 | C15 | H16 | 109.5° | 109.4° |
C13 | C15 | H17 | 109.5° | 109.5° |
C13 | C15 | H18 | 109.5° | 109.5° |
C42 | O43 | C27 | 110.3° | 116.7° |
O43 | C42 | H36 | 109.7° | 110.0° |
O43 | C42 | H37 | 109.7° | 110.0° |
C14 | C13 | C12 | 107.6° | 109.5° |
C14 | C13 | H12 | 110.1° | 109.5° |
C13 | C14 | H13 | 109.5° | 109.5° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H15 | 109.5° | 109.5° |
C26 | C25 | C24 | 107.5° | 104.6° |
C25 | C26 | C27 | 117.9° | 117.7° |
C25 | C26 | C30 | 105.6° | 107.2° |
C26 | C25 | H26 | 106.3° | 110.2° |
C25 | C26 | H27 | 109.6° | 109.0° |
C25 | C24 | O23 | 111.6° | 110.8° |
C25 | C24 | C31 | 101.9° | 102.5° |
C25 | C24 | H25 | 110.9° | 111.0° |
C24 | C25 | H26 | 106.2° | 110.3° |
O43 | C27 | C26 | 115.5° | 117.5° |
O43 | C27 | O28 | 109.6° | 109.3° |
O43 | C27 | H28 | 109.1° | 107.5° |
C13 | C12 | N11 | 112.6° | 109.5° |
C13 | C12 | H10 | 108.7° | 109.4° |
C13 | C12 | H11 | 108.7° | 109.5° |
C12 | C13 | H12 | 110.0° | 109.5° |
C27 | C26 | C30 | 104.1° | 105.2° |
C26 | C27 | O28 | 105.3° | 106.0° |
C27 | C26 | H27 | 109.8° | 109.0° |
C26 | C27 | H28 | 108.2° | 108.2° |
C26 | C30 | C31 | 105.6° | 105.7° |
C26 | C30 | C29 | 106.3° | 103.0° |
C30 | C26 | H27 | 109.4° | 108.3° |
C26 | C30 | H31 | 109.0° | 112.5° |
O23 | C24 | C31 | 109.2° | 110.8° |
C24 | O23 | C21 | 115.7° | 117.0° |
O23 | C24 | H25 | 112.1° | 110.7° |
C24 | C31 | C30 | 103.4° | 103.8° |
C31 | C24 | H25 | 110.7° | 110.7° |
C24 | C31 | H32 | 111.0° | 110.6° |
C24 | C31 | H33 | 111.0° | 110.6° |
C27 | O28 | C29 | 108.7° | 105.5° |
O28 | C27 | H28 | 108.9° | 108.0° |
O23 | C21 | O22 | 121.3° | 120.0° |
O23 | C21 | N20 | 114.9° | 120.0° |
O22 | C21 | N20 | 123.5° | 120.0° |
C12 | N11 | S8 | 116.6° | 120.0° |
C12 | N11 | C16 | 116.1° | 120.0° |
N11 | C12 | H10 | 108.7° | 109.5° |
N11 | C12 | H11 | 108.7° | 109.5° |
C31 | C30 | C29 | 117.5° | 109.9° |
C31 | C30 | H31 | 109.0° | 112.7° |
C30 | C31 | H32 | 111.0° | 110.6° |
C30 | C31 | H33 | 111.0° | 110.6° |
C21 | N20 | C19 | 121.3° | 120.0° |
C21 | N20 | H24 | 119.4° | 120.0° |
C30 | C29 | O28 | 105.7° | 104.3° |
C30 | C29 | H29 | 110.4° | 110.5° |
C30 | C29 | H30 | 110.4° | 110.6° |
C29 | C30 | H31 | 109.1° | 112.3° |
C56 | C57 | C55 | 60.6° | 60.0° |
C57 | C56 | C55 | 60.0° | 60.0° |
C57 | C56 | H3 | 120.0° | 117.5° |
C57 | C56 | H4 | 120.0° | 117.5° |
C56 | C57 | H5 | 119.9° | 117.5° |
C56 | C57 | H6 | 119.9° | 117.5° |
C57 | C55 | C56 | 59.4° | 60.0° |
C57 | C55 | N54 | 115.6° | 117.5° |
C57 | C55 | H2 | 118.6° | 117.5° |
C55 | C57 | H5 | 119.9° | 117.5° |
C55 | C57 | H6 | 119.9° | 117.5° |
O28 | C29 | H29 | 110.4° | 110.5° |
O28 | C29 | H30 | 110.4° | 110.4° |
O10 | S8 | N11 | 106.3° | 106.4° |
O10 | S8 | C5 | 108.0° | 106.4° |
O10 | S8 | O9 | 117.3° | 123.1° |
S8 | N11 | C16 | 116.1° | 120.0° |
N11 | S8 | C5 | 109.7° | 107.2° |
N11 | S8 | O9 | 106.5° | 106.4° |
N11 | C16 | C17 | 111.8° | 109.5° |
N11 | C16 | H19 | 108.9° | 109.5° |
N11 | C16 | H20 | 108.9° | 109.5° |
N20 | C19 | C17 | 109.9° | 109.5° |
N20 | C19 | C32 | 111.2° | 109.5° |
N20 | C19 | H23 | 107.8° | 109.5° |
C19 | N20 | H24 | 119.4° | 120.0° |
C3 | S51 | C53 | 90.3° | 90.5° |
S51 | C3 | C4 | 129.3° | 131.2° |
S51 | C3 | C2 | 107.5° | 108.4° |
S51 | C53 | N54 | 123.3° | 124.8° |
S51 | C53 | N52 | 110.9° | 110.3° |
C19 | C17 | C16 | 113.4° | 109.5° |
C19 | C17 | O18 | 111.1° | 109.5° |
C17 | C19 | C32 | 113.1° | 109.5° |
C19 | C17 | H21 | 106.8° | 109.5° |
C17 | C19 | H23 | 107.3° | 109.5° |
C16 | C17 | O18 | 110.6° | 109.5° |
C17 | C16 | H19 | 108.9° | 109.5° |
C17 | C16 | H20 | 108.9° | 109.5° |
C16 | C17 | H21 | 106.7° | 109.5° |
O18 | C17 | H21 | 107.9° | 109.5° |
C17 | O18 | H22 | 109.5° | 114.0° |
C3 | C4 | C5 | 118.7° | 120.2° |
C4 | C3 | C2 | 123.2° | 120.4° |
C3 | C4 | H7 | 120.6° | 119.9° |
C4 | C5 | S8 | 119.1° | 120.0° |
C4 | C5 | C6 | 120.3° | 120.0° |
C5 | C4 | H7 | 120.6° | 119.9° |
C56 | C55 | N54 | 110.2° | 117.5° |
C56 | C55 | H2 | 118.4° | 117.5° |
C55 | C56 | H3 | 120.0° | 117.6° |
C55 | C56 | H4 | 120.0° | 117.5° |
C5 | S8 | O9 | 108.9° | 106.4° |
S8 | C5 | C6 | 120.5° | 120.0° |
C19 | C32 | C38 | 113.4° | 109.4° |
C32 | C19 | H23 | 107.2° | 109.5° |
C19 | C32 | H38 | 108.5° | 109.5° |
C19 | C32 | H39 | 108.5° | 109.4° |
C55 | N54 | C53 | 121.3° | 120.0° |
C55 | N54 | H1 | 106.4° | 120.0° |
N54 | C55 | H2 | 119.8° | 115.6° |
C3 | C2 | N52 | 115.5° | 112.9° |
C3 | C2 | C7 | 117.2° | 118.3° |
C5 | C6 | C7 | 117.9° | 120.6° |
C5 | C6 | H8 | 121.0° | 119.7° |
N54 | C53 | N52 | 125.8° | 124.8° |
C53 | N54 | H1 | 106.5° | 120.0° |
C53 | N52 | C2 | 115.8° | 117.9° |
F62 | C36 | C37 | 119.4° | 120.0° |
F62 | C36 | C35 | 116.9° | 120.0° |
C32 | C38 | C37 | 118.7° | 119.9° |
C32 | C38 | C33 | 123.4° | 120.0° |
C38 | C32 | H38 | 108.5° | 109.5° |
C38 | C32 | H39 | 108.5° | 109.4° |
N52 | C2 | C7 | 127.2° | 128.8° |
C2 | C7 | C6 | 122.3° | 120.4° |
C2 | C7 | H9 | 118.9° | 119.8° |
C36 | C37 | C38 | 120.3° | 120.0° |
C37 | C36 | C35 | 123.7° | 120.0° |
C36 | C37 | H42 | 119.8° | 120.0° |
C37 | C38 | C33 | 117.7° | 120.1° |
C38 | C37 | H42 | 119.8° | 120.0° |
C36 | C35 | C34 | 115.1° | 119.9° |
C36 | C35 | H41 | 122.4° | 120.0° |
C38 | C33 | C34 | 121.2° | 120.0° |
C38 | C33 | H40 | 119.4° | 120.0° |
C7 | C6 | H8 | 121.0° | 119.7° |
C6 | C7 | H9 | 118.8° | 119.8° |
C35 | C34 | C33 | 121.4° | 120.0° |
C35 | C34 | F61 | 117.5° | 120.0° |
C34 | C35 | H41 | 122.4° | 120.1° |
C33 | C34 | F61 | 120.7° | 120.0° |
C34 | C33 | H40 | 119.4° | 120.0° |
H3 | C56 | H4 | 109.4° | 115.5° |
H5 | C57 | H6 | 109.5° | 115.6° |
H10 | C12 | H11 | 109.5° | 109.5° |
H13 | C14 | H14 | 109.5° | 109.4° |
H13 | C14 | H15 | 109.5° | 109.5° |
H14 | C14 | H15 | 109.5° | 109.5° |
H16 | C15 | H17 | 109.5° | 109.4° |
H16 | C15 | H18 | 109.4° | 109.5° |
H17 | C15 | H18 | 109.4° | 109.6° |
H19 | C16 | H20 | 109.4° | 109.5° |
H29 | C29 | H30 | 109.5° | 110.5° |
H32 | C31 | H33 | 109.5° | 110.6° |
H34 | C41 | H35 | 109.4° | 109.7° |
H36 | C42 | H37 | 109.5° | 110.0° |
H38 | C32 | H39 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C42 | C41 | C25 | H34 | 120.1° | 119.7° |
C42 | C41 | C25 | H35 | 120.1° | 119.8° |
C41 | C42 | O43 | H36 | 119.8° | 119.4° |
C41 | C42 | O43 | H37 | 119.8° | 119.3° |
C42 | C41 | C25 | C26 | 42.6° | 47.7° |
C42 | C41 | C25 | C24 | 83.3° | 162.9° |
C41 | C42 | O43 | C27 | 68.0° | 61.7° |
C42 | C41 | C25 | H26 | 158.8° | 76.5° |
C42 | C41 | H34 | H35 | 119.8° | 120.4° |
C41 | C42 | H36 | H37 | 120.5° | 121.2° |
C25 | C41 | C42 | O43 | 63.4° | 66.9° |
C41 | C25 | C26 | C24 | 130.5° | 117.0° |
C41 | C25 | C26 | H26 | 116.1° | 124.5° |
C41 | C25 | C24 | H26 | 117.8° | 120.8° |
C41 | C25 | C26 | C27 | 27.3° | 22.0° |
C41 | C25 | C26 | C30 | 143.0° | 96.2° |
C41 | C25 | C24 | O23 | 45.0° | 34.7° |
C41 | C25 | C24 | C31 | 161.4° | 83.7° |
C41 | C25 | C24 | H25 | 80.8° | 158.1° |
C41 | C25 | C26 | H27 | 99.2° | 146.7° |
C25 | C41 | H34 | H35 | 119.8° | 120.4° |
C25 | C41 | C42 | H36 | 176.8° | 52.5° |
C25 | C41 | C42 | H37 | 56.5° | 173.8° |
C15 | C13 | C14 | C12 | 118.1° | 120.0° |
C15 | C13 | C14 | H12 | 122.1° | 120.0° |
C15 | C13 | C12 | H12 | 120.2° | 120.0° |
C15 | C13 | C12 | N11 | 179.6° | 63.4° |
C15 | C13 | C12 | H10 | 59.2° | 176.6° |
C15 | C13 | C12 | H11 | 59.9° | 56.6° |
C15 | C13 | C14 | H13 | 180.0° | 60.0° |
C15 | C13 | C14 | H14 | 60.0° | 60.0° |
C15 | C13 | C14 | H15 | 60.0° | 180.0° |
C13 | C15 | H16 | H17 | 120.0° | 120.0° |
C13 | C15 | H16 | H18 | 120.0° | 120.0° |
C13 | C15 | H17 | H18 | 120.0° | 120.1° |
C42 | O43 | C27 | C26 | 51.3° | 35.2° |
C42 | O43 | C27 | O28 | 67.4° | 156.0° |
C42 | O43 | C27 | H28 | 173.4° | 87.0° |
O43 | C42 | C41 | H34 | 176.6° | 173.3° |
O43 | C42 | C41 | H35 | 56.7° | 52.9° |
O43 | C42 | H36 | H37 | 120.5° | 121.3° |
C14 | C13 | C12 | H12 | 119.9° | 120.0° |
C14 | C13 | C12 | N11 | 60.5° | 176.6° |
C14 | C13 | C12 | H10 | 179.1° | 56.6° |
C14 | C13 | C12 | H11 | 60.0° | 63.4° |
C13 | C14 | H13 | H14 | 120.0° | 120.0° |
C13 | C14 | H13 | H15 | 120.0° | 120.0° |
C13 | C14 | H14 | H15 | 120.0° | 120.0° |
C14 | C13 | C15 | H16 | 180.0° | 172.3° |
C14 | C13 | C15 | H17 | 60.0° | 52.3° |
C14 | C13 | C15 | H18 | 60.0° | 67.8° |
C26 | C25 | C24 | H26 | 113.4° | 118.5° |
C25 | C26 | C27 | O43 | 31.4° | 14.0° |
C25 | C26 | C27 | C30 | 116.6° | 119.3° |
C25 | C26 | C27 | H27 | 126.4° | 124.8° |
C25 | C26 | C30 | H27 | 117.9° | 117.5° |
C26 | C25 | C24 | O23 | 83.8° | 155.4° |
C26 | C25 | C24 | C31 | 32.6° | 37.1° |
C25 | C26 | C27 | O28 | 89.7° | 136.4° |
C25 | C26 | C30 | C31 | 13.0° | 3.7° |
C25 | C26 | C30 | C29 | 112.5° | 119.1° |
C26 | C25 | C24 | H25 | 150.4° | 81.2° |
C25 | C26 | C27 | H28 | 154.0° | 108.0° |
C25 | C26 | C30 | H31 | 130.0° | 119.7° |
C26 | C25 | C41 | H34 | 162.6° | 167.5° |
C26 | C25 | C41 | H35 | 77.5° | 72.0° |
C24 | C25 | C26 | C27 | 103.2° | 139.0° |
C24 | C25 | C26 | C30 | 12.5° | 20.8° |
C25 | C24 | O23 | C31 | 111.9° | 113.2° |
C25 | C24 | O23 | H25 | 125.1° | 123.6° |
C25 | C24 | C31 | H25 | 118.0° | 118.5° |
C25 | C24 | O23 | C21 | 159.4° | 155.4° |
C25 | C24 | C31 | C30 | 40.0° | 39.3° |
C24 | C25 | C26 | H27 | 130.2° | 96.3° |
C25 | C24 | C31 | H32 | 159.0° | 79.3° |
C25 | C24 | C31 | H33 | 79.1° | 157.9° |
C24 | C25 | C41 | H34 | 36.8° | 77.4° |
C24 | C25 | C41 | H35 | 156.7° | 43.2° |
O43 | C27 | C26 | O28 | 121.1° | 122.5° |
O43 | C27 | C26 | H28 | 122.6° | 121.9° |
O43 | C27 | C26 | C30 | 148.0° | 105.3° |
O43 | C27 | O28 | H28 | 119.3° | 116.7° |
O43 | C27 | O28 | C29 | 157.7° | 91.0° |
O43 | C27 | C26 | H27 | 95.0° | 138.7° |
C27 | O43 | C42 | H36 | 172.2° | 57.7° |
C27 | O43 | C42 | H37 | 51.8° | 179.0° |
C13 | C12 | N11 | H10 | 120.5° | 119.9° |
C13 | C12 | N11 | H11 | 120.5° | 120.0° |
C13 | C12 | N11 | S8 | 143.8° | 114.3° |
C13 | C12 | N11 | C16 | 73.7° | 65.8° |
C13 | C12 | H10 | H11 | 118.5° | 120.0° |
C12 | C13 | C14 | H13 | 61.9° | 60.0° |
C12 | C13 | C14 | H14 | 58.1° | 180.0° |
C12 | C13 | C14 | H15 | 178.1° | 60.0° |
C12 | C13 | C15 | H16 | 62.2° | 67.7° |
C12 | C13 | C15 | H17 | 177.7° | 172.3° |
C12 | C13 | C15 | H18 | 57.8° | 52.2° |
C27 | C26 | C30 | H27 | 117.3° | 116.4° |
C26 | C27 | O28 | H28 | 115.9° | 115.8° |
C27 | C26 | C30 | C31 | 137.8° | 122.3° |
C27 | C26 | C30 | C29 | 12.3° | 6.9° |
C26 | C27 | O28 | C29 | 32.9° | 36.5° |
C27 | C26 | C25 | H26 | 143.4° | 102.5° |
C27 | C26 | C30 | H31 | 105.2° | 114.2° |
C26 | C30 | C31 | C24 | 33.1° | 26.7° |
C30 | C26 | C27 | O28 | 26.9° | 17.1° |
C26 | C30 | C31 | C29 | 118.3° | 110.6° |
C26 | C30 | C31 | H31 | 117.0° | 123.3° |
C26 | C30 | C29 | H31 | 117.4° | 121.3° |
C26 | C30 | C29 | O28 | 6.8° | 28.6° |
C30 | C26 | C25 | H26 | 100.9° | 139.3° |
C30 | C26 | C27 | H28 | 89.5° | 132.8° |
C26 | C30 | C29 | H29 | 126.2° | 147.3° |
C26 | C30 | C29 | H30 | 112.6° | 90.1° |
C26 | C30 | C31 | H32 | 152.1° | 91.8° |
C26 | C30 | C31 | H33 | 86.0° | 145.4° |
O23 | C24 | C31 | H25 | 123.8° | 123.2° |
C24 | O23 | C21 | O22 | 19.0° | 0.0° |
O23 | C24 | C31 | C30 | 78.2° | 157.6° |
C24 | O23 | C21 | N20 | 167.8° | 180.0° |
O23 | C24 | C25 | H26 | 162.8° | 86.1° |
O23 | C24 | C31 | H32 | 40.8° | 39.0° |
O23 | C24 | C31 | H33 | 162.7° | 83.8° |
C31 | C24 | O23 | C21 | 88.6° | 91.4° |
C24 | C31 | C30 | H32 | 119.0° | 118.6° |
C24 | C31 | C30 | H33 | 119.0° | 118.6° |
C24 | C31 | C30 | C29 | 85.2° | 137.3° |
C31 | C24 | C25 | H26 | 80.8° | 155.6° |
C24 | C31 | C30 | H31 | 150.1° | 96.5° |
C24 | C31 | H32 | H33 | 122.8° | 122.8° |
C27 | O28 | C29 | C30 | 24.5° | 40.8° |
O28 | C27 | C26 | H27 | 143.9° | 98.8° |
C27 | O28 | C29 | H29 | 143.9° | 159.5° |
C27 | O28 | C29 | H30 | 94.9° | 78.0° |
O23 | C21 | O22 | N20 | 172.6° | 180.0° |
O23 | C21 | N20 | C19 | 170.7° | 180.0° |
O23 | C21 | N20 | H24 | 9.3° | 0.0° |
C21 | O23 | C24 | H25 | 34.3° | 31.9° |
O22 | C21 | N20 | C19 | 16.2° | 0.0° |
O22 | C21 | N20 | H24 | 163.8° | 180.0° |
C12 | N11 | S8 | O10 | 57.9° | 17.6° |
C12 | N11 | S8 | C16 | 142.5° | 180.0° |
C12 | N11 | C16 | C17 | 101.5° | 85.0° |
C12 | N11 | S8 | C5 | 58.6° | 96.0° |
C12 | N11 | S8 | O9 | 176.2° | 150.5° |
N11 | C12 | H10 | H11 | 118.6° | 120.1° |
N11 | C12 | C13 | H12 | 59.4° | 56.6° |
C12 | N11 | C16 | H19 | 18.9° | 35.0° |
C12 | N11 | C16 | H20 | 138.2° | 155.0° |
C31 | C30 | C29 | H31 | 124.7° | 126.4° |
C31 | C30 | C29 | O28 | 111.1° | 141.0° |
C30 | C31 | C24 | H25 | 157.9° | 79.2° |
C31 | C30 | C26 | H27 | 104.9° | 121.3° |
C31 | C30 | C29 | H29 | 8.3° | 100.3° |
C31 | C30 | C29 | H30 | 129.5° | 22.3° |
C30 | C31 | H32 | H33 | 122.8° | 122.8° |
C21 | N20 | C19 | H24 | 180.0° | 180.0° |
C21 | N20 | C19 | C17 | 128.0° | 155.0° |
C21 | N20 | C19 | C32 | 106.0° | 85.0° |
C21 | N20 | C19 | H23 | 11.3° | 35.0° |
C30 | C29 | O28 | H29 | 119.4° | 118.7° |
C30 | C29 | O28 | H30 | 119.4° | 118.8° |
C29 | C30 | C26 | H27 | 129.6° | 123.3° |
C30 | C29 | H29 | H30 | 121.7° | 122.7° |
C29 | C30 | C31 | H32 | 33.8° | 18.8° |
C29 | C30 | C31 | H33 | 155.7° | 104.0° |
C56 | C57 | C55 | H5 | 109.7° | 107.5° |
C56 | C57 | C55 | H6 | 109.6° | 107.4° |
C57 | C56 | C55 | H3 | 109.5° | 107.5° |
C57 | C56 | C55 | H4 | 109.5° | 107.5° |
C56 | C57 | C55 | N54 | 99.3° | 107.5° |
C56 | C57 | C55 | H2 | 107.8° | 107.5° |
C57 | C56 | H3 | H4 | 144.7° | 145.7° |
C56 | C57 | H5 | H6 | 144.4° | 145.7° |
C57 | C55 | N54 | H2 | 152.5° | 145.7° |
C57 | C55 | N54 | C53 | 75.1° | 136.3° |
C57 | C55 | N54 | H1 | 46.6° | 43.7° |
C55 | C57 | H5 | H6 | 144.4° | 145.7° |
C29 | O28 | C27 | H28 | 83.0° | 152.3° |
O28 | C29 | H29 | H30 | 121.8° | 122.5° |
O28 | C29 | C30 | H31 | 124.2° | 92.7° |
O10 | S8 | N11 | C5 | 116.5° | 113.6° |
O10 | S8 | N11 | O9 | 125.8° | 132.9° |
O10 | S8 | N11 | C16 | 159.6° | 162.4° |
O10 | S8 | C5 | C4 | 27.0° | 17.0° |
O10 | S8 | C5 | O9 | 128.4° | 132.9° |
O10 | S8 | C5 | C6 | 155.8° | 163.0° |
S8 | N11 | C16 | C17 | 115.9° | 95.0° |
N11 | S8 | C5 | C4 | 88.5° | 96.6° |
N11 | S8 | C5 | O9 | 116.2° | 113.5° |
N11 | S8 | C5 | C6 | 88.8° | 83.4° |
S8 | N11 | C12 | H10 | 95.7° | 125.8° |
S8 | N11 | C12 | H11 | 23.4° | 5.7° |
S8 | N11 | C16 | H19 | 123.7° | 145.0° |
S8 | N11 | C16 | H20 | 4.5° | 25.0° |
N11 | C16 | C17 | C19 | 67.2° | 175.0° |
N11 | C16 | C17 | H19 | 120.4° | 120.0° |
N11 | C16 | C17 | H20 | 120.4° | 120.0° |
N11 | C16 | C17 | O18 | 167.2° | 65.0° |
C16 | N11 | S8 | C5 | 83.9° | 84.1° |
C16 | N11 | S8 | O9 | 33.7° | 29.5° |
C16 | N11 | C12 | H10 | 46.8° | 54.2° |
C16 | N11 | C12 | H11 | 165.8° | 174.3° |
N11 | C16 | H19 | H20 | 119.0° | 120.0° |
N11 | C16 | C17 | H21 | 50.1° | 55.0° |
N20 | C19 | C17 | C32 | 125.0° | 120.0° |
N20 | C19 | C17 | H23 | 116.9° | 120.0° |
N20 | C19 | C17 | C16 | 160.3° | 175.0° |
N20 | C19 | C17 | O18 | 74.4° | 65.0° |
N20 | C19 | C32 | H23 | 117.6° | 120.0° |
N20 | C19 | C32 | C38 | 55.4° | 65.1° |
N20 | C19 | C17 | H21 | 43.1° | 55.0° |
N20 | C19 | C32 | H38 | 65.2° | 55.0° |
N20 | C19 | C32 | H39 | 176.0° | 175.0° |
S51 | C3 | C4 | C2 | 178.9° | 179.9° |
S51 | C3 | C4 | C5 | 177.1° | 179.9° |
C3 | S51 | C53 | N54 | 178.9° | 180.0° |
C3 | S51 | C53 | N52 | 1.7° | 0.1° |
S51 | C3 | C2 | N52 | 2.8° | 0.1° |
S51 | C3 | C2 | C7 | 178.2° | 180.0° |
S51 | C3 | C4 | H7 | 2.9° | 0.0° |
C53 | S51 | C3 | C4 | 178.5° | 180.0° |
S51 | C53 | N54 | C55 | 4.3° | 179.9° |
C53 | S51 | C3 | C2 | 2.5° | 0.1° |
S51 | C53 | N54 | N52 | 179.3° | 179.9° |
S51 | C53 | N52 | C2 | 0.4° | 0.0° |
S51 | C53 | N54 | H1 | 117.4° | 0.1° |
C19 | C17 | C16 | O18 | 125.6° | 120.0° |
C19 | C17 | C16 | H21 | 117.3° | 120.0° |
C19 | C17 | O18 | H21 | 116.8° | 120.0° |
C17 | C19 | C32 | H23 | 118.1° | 120.0° |
C17 | C19 | C32 | C38 | 179.7° | 175.0° |
C19 | C17 | C16 | H19 | 172.4° | 65.0° |
C19 | C17 | C16 | H20 | 53.1° | 55.0° |
C19 | C17 | O18 | H22 | 180.0° | 60.1° |
C17 | C19 | N20 | H24 | 52.0° | 25.0° |
C17 | C19 | C32 | H38 | 59.1° | 65.0° |
C17 | C19 | C32 | H39 | 59.8° | 55.1° |
C16 | C17 | O18 | H21 | 116.3° | 120.0° |
C16 | C17 | C19 | C32 | 74.7° | 65.0° |
C17 | C16 | H19 | H20 | 118.9° | 120.0° |
C16 | C17 | O18 | H22 | 53.1° | 59.9° |
C16 | C17 | C19 | H23 | 43.4° | 55.0° |
O18 | C17 | C19 | C32 | 50.6° | 55.0° |
O18 | C17 | C16 | H19 | 46.8° | 55.0° |
O18 | C17 | C16 | H20 | 72.5° | 175.0° |
O18 | C17 | C19 | H23 | 168.7° | 175.0° |
C3 | C4 | C5 | H7 | 180.0° | 180.0° |
C3 | C4 | C5 | S8 | 174.7° | 180.0° |
C3 | C4 | C5 | C6 | 2.5° | 0.0° |
C4 | C3 | C2 | N52 | 178.1° | 180.0° |
C4 | C3 | C2 | C7 | 2.7° | 0.1° |
C4 | C5 | S8 | C6 | 177.3° | 180.0° |
C4 | C5 | S8 | O9 | 155.4° | 149.9° |
C5 | C4 | C3 | C2 | 1.8° | 0.0° |
C4 | C5 | C6 | C7 | 1.1° | 0.0° |
C4 | C5 | C6 | H8 | 178.9° | 179.9° |
C56 | C55 | N54 | H2 | 142.7° | 145.6° |
C56 | C55 | N54 | C53 | 139.9° | 155.1° |
C56 | C55 | N54 | H1 | 18.2° | 24.9° |
C55 | C56 | H3 | H4 | 144.7° | 145.7° |
S8 | C5 | C6 | C7 | 178.3° | 180.0° |
S8 | C5 | C4 | H7 | 5.3° | 0.0° |
S8 | C5 | C6 | H8 | 1.7° | 0.0° |
O9 | S8 | C5 | C6 | 27.4° | 30.1° |
C19 | C32 | C38 | H38 | 120.6° | 120.0° |
C19 | C32 | C38 | H39 | 120.6° | 119.9° |
C19 | C32 | C38 | C37 | 70.3° | 90.1° |
C19 | C32 | C38 | C33 | 105.0° | 90.5° |
C32 | C19 | C17 | H21 | 168.1° | 175.0° |
C32 | C19 | N20 | H24 | 74.0° | 95.0° |
C19 | C32 | H38 | H39 | 118.2° | 120.0° |
C55 | N54 | C53 | H1 | 121.6° | 180.0° |
C55 | N54 | C53 | N52 | 176.4° | 0.0° |
N54 | C55 | C56 | H3 | 1.0° | 145.0° |
N54 | C55 | C56 | H4 | 142.0° | 0.0° |
N54 | C55 | C57 | H5 | 151.0° | 0.0° |
N54 | C55 | C57 | H6 | 10.3° | 145.1° |
C3 | C2 | N52 | C53 | 1.6° | 0.0° |
C3 | C2 | N52 | C7 | 174.9° | 179.9° |
C3 | C2 | C7 | C6 | 6.5° | 0.1° |
C2 | C3 | C4 | H7 | 178.3° | 180.0° |
C3 | C2 | C7 | H9 | 173.5° | 179.9° |
C5 | C6 | C7 | C2 | 5.8° | 0.0° |
C5 | C6 | C7 | H8 | 180.0° | 179.9° |
C6 | C5 | C4 | H7 | 177.5° | 180.0° |
C5 | C6 | C7 | H9 | 174.2° | 180.0° |
N54 | C53 | N52 | C2 | 179.8° | 180.0° |
C53 | N54 | C55 | H2 | 77.4° | 9.5° |
C53 | N52 | C2 | C7 | 176.5° | 179.9° |
N52 | C53 | N54 | H1 | 61.9° | 180.0° |
F62 | C36 | C37 | C35 | 179.7° | 179.9° |
F62 | C36 | C37 | C38 | 178.2° | 179.7° |
F62 | C36 | C35 | C34 | 174.6° | 180.0° |
F62 | C36 | C35 | H41 | 5.5° | 0.1° |
F62 | C36 | C37 | H42 | 1.8° | 0.0° |
C32 | C38 | C37 | C36 | 174.4° | 180.0° |
C32 | C38 | C37 | C33 | 175.6° | 179.4° |
C32 | C38 | C33 | C34 | 170.9° | 180.0° |
C38 | C32 | C19 | H23 | 62.2° | 54.9° |
C38 | C32 | H38 | H39 | 118.2° | 120.0° |
C32 | C38 | C33 | H40 | 9.1° | 0.3° |
C32 | C38 | C37 | H42 | 5.7° | 0.3° |
N52 | C2 | C7 | C6 | 178.7° | 180.0° |
N52 | C2 | C7 | H9 | 1.3° | 0.0° |
C2 | C7 | C6 | H9 | 180.0° | 180.0° |
C2 | C7 | C6 | H8 | 174.2° | 180.0° |
C36 | C37 | C38 | H42 | 180.0° | 179.7° |
C36 | C37 | C38 | C33 | 1.2° | 0.6° |
C37 | C36 | C35 | C34 | 5.8° | 0.0° |
C37 | C36 | C35 | H41 | 174.2° | 180.0° |
C38 | C37 | C36 | C35 | 2.1° | 0.3° |
C37 | C38 | C33 | C34 | 4.4° | 0.6° |
C37 | C38 | C32 | H38 | 169.2° | 30.0° |
C37 | C38 | C32 | H39 | 50.3° | 150.0° |
C37 | C38 | C33 | H40 | 175.6° | 179.7° |
C36 | C35 | C34 | H41 | 180.0° | 180.0° |
C36 | C35 | C34 | C33 | 8.8° | 0.0° |
C36 | C35 | C34 | F61 | 178.1° | 180.0° |
C35 | C36 | C37 | H42 | 177.9° | 180.0° |
C38 | C33 | C34 | C35 | 8.6° | 0.3° |
C38 | C33 | C34 | H40 | 180.0° | 179.7° |
C38 | C33 | C34 | F61 | 178.5° | 179.7° |
C33 | C38 | C32 | H38 | 15.5° | 149.5° |
C33 | C38 | C32 | H39 | 134.4° | 29.4° |
C33 | C38 | C37 | H42 | 178.8° | 179.7° |
C35 | C34 | C33 | F61 | 172.9° | 180.0° |
C35 | C34 | C33 | H40 | 171.4° | 180.0° |
C33 | C34 | C35 | H41 | 171.1° | 180.0° |
F61 | C34 | C33 | H40 | 1.5° | 0.0° |
F61 | C34 | C35 | H41 | 2.0° | 0.0° |
H1 | N54 | C55 | H2 | 160.9° | 170.5° |
H2 | C55 | C56 | H3 | 142.3° | 0.1° |
H2 | C55 | C56 | H4 | 1.3° | 145.0° |
H2 | C55 | C57 | H5 | 1.8° | 145.0° |
H2 | C55 | C57 | H6 | 142.5° | 0.0° |
H3 | C56 | C57 | H5 | 140.9° | 145.0° |
H3 | C56 | C57 | H6 | 0.2° | 0.1° |
H4 | C56 | C57 | H5 | 0.2° | 0.0° |
H4 | C56 | C57 | H6 | 140.9° | 145.1° |
H8 | C6 | C7 | H9 | 5.8° | 0.0° |
H10 | C12 | C13 | H12 | 61.1° | 63.4° |
H11 | C12 | C13 | H12 | 179.9° | 176.6° |
H12 | C13 | C14 | H13 | 57.9° | 180.0° |
H12 | C13 | C14 | H14 | 177.9° | 60.0° |
H12 | C13 | C14 | H15 | 62.1° | 60.0° |
H12 | C13 | C15 | H16 | 57.9° | 52.2° |
H12 | C13 | C15 | H17 | 62.1° | 67.7° |
H12 | C13 | C15 | H18 | 177.9° | 172.2° |
H13 | C14 | H14 | H15 | 120.0° | 119.9° |
H16 | C15 | H17 | H18 | 119.9° | 120.0° |
H19 | C16 | C17 | H21 | 70.2° | 175.0° |
H20 | C16 | C17 | H21 | 170.5° | 65.0° |
H21 | C17 | O18 | H22 | 63.2° | 180.0° |
H21 | C17 | C19 | H23 | 73.9° | 65.0° |
H23 | C19 | N20 | H24 | 168.7° | 145.0° |
H23 | C19 | C32 | H38 | 177.2° | 175.0° |
H23 | C19 | C32 | H39 | 58.3° | 65.0° |
H25 | C24 | C25 | H26 | 37.0° | 37.3° |
H25 | C24 | C31 | H32 | 83.1° | 162.2° |
H25 | C24 | C31 | H33 | 38.9° | 39.4° |
H26 | C25 | C26 | H27 | 16.8° | 22.2° |
H26 | C25 | C41 | H34 | 81.1° | 43.2° |
H26 | C25 | C41 | H35 | 38.7° | 163.7° |
H27 | C26 | C27 | H28 | 27.5° | 16.8° |
H27 | C26 | C30 | H31 | 12.1° | 2.2° |
H29 | C29 | C30 | H31 | 116.4° | 26.1° |
H30 | C29 | C30 | H31 | 4.8° | 148.7° |
H31 | C30 | C31 | H32 | 90.9° | 144.9° |
H31 | C30 | C31 | H33 | 31.0° | 22.1° |
H34 | C41 | C42 | H36 | 56.7° | 67.3° |
H34 | C41 | C42 | H37 | 63.6° | 54.0° |
H35 | C41 | C42 | H36 | 63.1° | 172.2° |
H35 | C41 | C42 | H37 | 176.6° | 66.4° |