TT2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C20 | sing | 1.53Å | 1.56Å | |
C17 | C16 | sing | 1.55Å | 1.56Å | |
C17 | C13 | sing | 1.52Å | 1.57Å | |
C1 | C2 | sing | 1.51Å | 1.50Å | |
C1 | C10 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.51Å | 1.53Å | |
C20 | C22 | sing | 1.51Å | 1.51Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C12 | C11 | sing | 1.54Å | 1.58Å | |
C12 | C13 | sing | 1.51Å | 1.58Å | |
C18 | C13 | sing | 1.53Å | 1.56Å | |
C2 | C3 | sing | 1.51Å | 1.50Å | |
C2 | C28 | doub | 1.31Å | 1.34Å | |
C3 | O2 | sing | 1.43Å | 1.43Å | |
C16 | C15 | sing | 1.56Å | 1.52Å | |
C11 | C9 | sing | 1.53Å | 1.55Å | |
C22 | C23 | doub | 1.31Å | 1.34Å | |
C23 | C24 | sing | 1.51Å | 1.50Å | |
C36 | C35 | sing | 1.53Å | 1.56Å | |
C36 | C31 | sing | 1.53Å | 1.56Å | |
C24 | C25 | sing | 1.53Å | 1.52Å | |
C35 | C37 | sing | 1.53Å | 1.56Å | |
C35 | C38 | sing | 1.53Å | 1.56Å | |
C31 | C30 | sing | 1.53Å | 1.56Å | |
C31 | C32 | sing | 1.53Å | 1.56Å | |
C8 | C7 | doub | 1.33Å | 1.35Å | |
C8 | C14 | sing | 1.50Å | 1.50Å | |
C8 | C9 | sing | 1.52Å | 1.49Å | |
C7 | C6 | sing | 1.47Å | 1.47Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C14 | C13 | sing | 1.56Å | 1.56Å | |
C6 | C5 | doub | 1.33Å | 1.35Å | |
C5 | C10 | sing | 1.51Å | 1.57Å | |
C30 | C29 | sing | 1.53Å | 1.58Å | |
C29 | C34 | sing | 1.53Å | 1.57Å | |
C29 | C37 | sing | 1.53Å | 1.57Å | |
C29 | C25 | sing | 1.53Å | 1.54Å | |
C32 | C33 | sing | 1.53Å | 1.56Å | |
C34 | C33 | sing | 1.53Å | 1.57Å | |
C33 | C38 | sing | 1.53Å | 1.56Å | |
C25 | O3 | sing | 1.43Å | 1.42Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | 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 | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C28 | H28A | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C21 | H21B | sing | 1.09Å | 1.10Å | |
C36 | H36 | sing | 1.09Å | 1.10Å | |
C36 | H36A | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H24A | sing | 1.09Å | 1.10Å | |
C35 | H35 | sing | 1.09Å | 1.10Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H30A | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H32A | sing | 1.09Å | 1.10Å | |
C34 | H34 | sing | 1.09Å | 1.10Å | |
C34 | H34A | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C37 | H37A | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C38 | H38 | sing | 1.09Å | 1.10Å | |
C38 | H38A | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | C17 | C16 | 111.6° | 110.3° |
C20 | C17 | C13 | 120.5° | 110.3° |
C17 | C20 | C22 | 115.5° | 109.5° |
C17 | C20 | C21 | 111.9° | 109.5° |
C20 | C17 | H17 | 98.4° | 110.3° |
C17 | C20 | H20 | 102.6° | 109.5° |
C16 | C17 | C13 | 105.2° | 105.1° |
C17 | C16 | C15 | 108.3° | 106.3° |
C16 | C17 | H17 | 115.8° | 110.3° |
C17 | C16 | H16 | 109.9° | 110.1° |
C17 | C16 | H16A | 110.1° | 110.1° |
C17 | C13 | C12 | 115.9° | 118.3° |
C17 | C13 | C18 | 112.7° | 109.3° |
C17 | C13 | C14 | 98.2° | 103.2° |
C13 | C17 | H17 | 105.7° | 110.4° |
C2 | C1 | C10 | 113.2° | 108.6° |
C2 | C1 | O1 | 111.7° | 109.6° |
C1 | C2 | C3 | 115.8° | 118.8° |
C1 | C2 | C28 | 123.9° | 120.6° |
C2 | C1 | H1 | 104.5° | 109.6° |
C10 | C1 | O1 | 106.8° | 109.6° |
C1 | C10 | C5 | 116.7° | 108.6° |
C10 | C1 | H1 | 109.6° | 109.6° |
C1 | C10 | H10 | 107.1° | 109.6° |
C1 | C10 | H10A | 105.5° | 109.6° |
O1 | C1 | H1 | 111.1° | 109.8° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C3 | C4 | C5 | 111.4° | 108.6° |
C4 | C3 | C2 | 107.8° | 108.6° |
C4 | C3 | O2 | 108.7° | 109.6° |
C3 | C4 | H4 | 108.8° | 109.6° |
C3 | C4 | H4A | 108.4° | 109.6° |
C4 | C3 | H3 | 111.5° | 109.6° |
C4 | C5 | C6 | 118.8° | 120.5° |
C4 | C5 | C10 | 119.9° | 118.8° |
C5 | C4 | H4 | 108.8° | 109.6° |
C5 | C4 | H4A | 108.4° | 109.6° |
C22 | C20 | C21 | 106.9° | 109.4° |
C20 | C22 | C23 | 121.2° | 120.0° |
C22 | C20 | H20 | 108.0° | 109.5° |
C20 | C22 | H22 | 119.4° | 120.0° |
C21 | C20 | H20 | 111.9° | 109.5° |
C20 | C21 | H21 | 109.5° | 109.5° |
C20 | C21 | H21A | 109.5° | 109.5° |
C20 | C21 | H21B | 109.5° | 109.5° |
C11 | C12 | C13 | 113.9° | 107.6° |
C12 | C11 | C9 | 115.2° | 111.8° |
C11 | C12 | H12 | 108.0° | 109.8° |
C11 | C12 | H12A | 107.0° | 109.9° |
C12 | C11 | H11 | 107.6° | 109.0° |
C12 | C11 | H11A | 106.3° | 109.0° |
C12 | C13 | C18 | 110.2° | 109.3° |
C12 | C13 | C14 | 106.8° | 107.6° |
C13 | C12 | H12 | 108.0° | 109.9° |
C13 | C12 | H12A | 107.0° | 109.9° |
C18 | C13 | C14 | 112.5° | 108.6° |
C13 | C18 | H18 | 109.5° | 109.5° |
C13 | C18 | H18A | 109.4° | 109.5° |
C13 | C18 | H18B | 109.5° | 109.5° |
C3 | C2 | C28 | 120.2° | 120.6° |
C2 | C3 | O2 | 110.6° | 109.6° |
C2 | C3 | H3 | 109.6° | 109.6° |
C2 | C28 | H28 | 105.9° | 120.0° |
C2 | C28 | H28A | 127.0° | 120.0° |
O2 | C3 | H3 | 108.7° | 109.7° |
C3 | O2 | HO2 | 109.5° | 114.0° |
C16 | C15 | C14 | 101.8° | 102.7° |
C15 | C16 | H16 | 109.9° | 110.1° |
C15 | C16 | H16A | 110.1° | 110.1° |
C16 | C15 | H15 | 112.1° | 110.7° |
C16 | C15 | H15A | 113.8° | 110.8° |
C11 | C9 | C8 | 107.8° | 110.7° |
C9 | C11 | H11 | 107.6° | 109.0° |
C9 | C11 | H11A | 106.3° | 109.1° |
C11 | C9 | H9 | 110.0° | 109.2° |
C11 | C9 | H9A | 110.4° | 109.2° |
C22 | C23 | C24 | 124.9° | 120.0° |
C23 | C22 | H22 | 119.4° | 120.0° |
C22 | C23 | H23 | 117.5° | 120.0° |
C23 | C24 | C25 | 110.3° | 109.5° |
C24 | C23 | H23 | 117.5° | 120.0° |
C23 | C24 | H24 | 109.2° | 109.5° |
C23 | C24 | H24A | 109.0° | 109.5° |
C35 | C36 | C31 | 110.5° | 109.4° |
C36 | C35 | C37 | 108.9° | 109.5° |
C36 | C35 | C38 | 109.4° | 109.5° |
C35 | C36 | H36 | 109.1° | 109.5° |
C35 | C36 | H36A | 108.9° | 109.4° |
C36 | C35 | H35 | 109.8° | 109.5° |
C36 | C31 | C30 | 108.5° | 109.5° |
C36 | C31 | C32 | 109.6° | 109.5° |
C31 | C36 | H36 | 109.1° | 109.5° |
C31 | C36 | H36A | 108.9° | 109.5° |
C36 | C31 | H31 | 110.1° | 109.4° |
C24 | C25 | C29 | 117.4° | 109.5° |
C24 | C25 | O3 | 107.6° | 109.5° |
C25 | C24 | H24 | 109.2° | 109.4° |
C25 | C24 | H24A | 109.0° | 109.5° |
C24 | C25 | H25 | 105.5° | 109.4° |
C37 | C35 | C38 | 109.2° | 109.5° |
C35 | C37 | C29 | 110.4° | 109.4° |
C37 | C35 | H35 | 109.9° | 109.4° |
C35 | C37 | H37 | 109.2° | 109.5° |
C35 | C37 | H37A | 109.0° | 109.5° |
C35 | C38 | C33 | 110.0° | 109.5° |
C38 | C35 | H35 | 109.5° | 109.5° |
C35 | C38 | H38 | 109.3° | 109.5° |
C35 | C38 | H38A | 109.2° | 109.5° |
C30 | C31 | C32 | 109.5° | 109.5° |
C31 | C30 | C29 | 110.3° | 109.4° |
C30 | C31 | H31 | 110.1° | 109.5° |
C31 | C30 | H30 | 109.2° | 109.4° |
C31 | C30 | H30A | 109.0° | 109.5° |
C31 | C32 | C33 | 110.1° | 109.5° |
C32 | C31 | H31 | 109.1° | 109.4° |
C31 | C32 | H32 | 109.3° | 109.5° |
C31 | C32 | H32A | 109.1° | 109.5° |
C7 | C8 | C14 | 123.5° | 122.4° |
C7 | C8 | C9 | 125.6° | 122.4° |
C8 | C7 | C6 | 125.7° | 120.0° |
C8 | C7 | H7 | 117.2° | 120.0° |
C14 | C8 | C9 | 110.8° | 115.2° |
C8 | C14 | C15 | 122.1° | 116.7° |
C8 | C14 | C13 | 110.4° | 105.5° |
C8 | C14 | H14 | 98.3° | 110.7° |
C8 | C9 | H9 | 110.0° | 109.2° |
C8 | C9 | H9A | 110.4° | 109.2° |
C7 | C6 | C5 | 121.0° | 120.0° |
C6 | C7 | H7 | 117.2° | 120.0° |
C7 | C6 | H6 | 119.5° | 120.0° |
C15 | C14 | C13 | 106.4° | 101.2° |
C15 | C14 | H14 | 103.1° | 110.7° |
C14 | C15 | H15 | 112.1° | 110.7° |
C14 | C15 | H15A | 113.7° | 110.7° |
C13 | C14 | H14 | 116.7° | 111.4° |
C6 | C5 | C10 | 121.3° | 120.6° |
C5 | C6 | H6 | 119.5° | 120.1° |
C5 | C10 | H10 | 107.1° | 109.7° |
C5 | C10 | H10A | 105.5° | 109.6° |
C30 | C29 | C34 | 108.1° | 109.5° |
C30 | C29 | C37 | 109.3° | 109.5° |
C30 | C29 | C25 | 112.5° | 109.4° |
C29 | C30 | H30 | 109.2° | 109.5° |
C29 | C30 | H30A | 109.0° | 109.5° |
C34 | C29 | C37 | 108.3° | 109.5° |
C34 | C29 | C25 | 107.2° | 109.4° |
C29 | C34 | C33 | 110.9° | 109.5° |
C29 | C34 | H34 | 109.0° | 109.5° |
C29 | C34 | H34A | 108.6° | 109.5° |
C37 | C29 | C25 | 111.2° | 109.5° |
C29 | C37 | H37 | 109.1° | 109.5° |
C29 | C37 | H37A | 108.9° | 109.4° |
C29 | C25 | O3 | 110.1° | 109.5° |
C29 | C25 | H25 | 102.7° | 109.5° |
C32 | C33 | C34 | 108.6° | 109.5° |
C32 | C33 | C38 | 109.3° | 109.5° |
C33 | C32 | H32 | 109.3° | 109.5° |
C33 | C32 | H32A | 109.1° | 109.4° |
C32 | C33 | H33 | 110.1° | 109.5° |
C34 | C33 | C38 | 109.4° | 109.4° |
C33 | C34 | H34 | 109.0° | 109.5° |
C33 | C34 | H34A | 108.7° | 109.4° |
C34 | C33 | H33 | 110.0° | 109.5° |
C38 | C33 | H33 | 109.4° | 109.4° |
C33 | C38 | H38 | 109.3° | 109.4° |
C33 | C38 | H38A | 109.2° | 109.5° |
O3 | C25 | H25 | 113.5° | 109.5° |
C25 | O3 | HO3 | 109.5° | 114.1° |
H4 | C4 | H4A | 111.0° | 109.7° |
H12 | C12 | H12A | 113.0° | 109.8° |
H18 | C18 | H18A | 109.5° | 109.5° |
H18 | C18 | H18B | 109.4° | 109.4° |
H18A | C18 | H18B | 109.5° | 109.5° |
H16 | C16 | H16A | 108.5° | 110.1° |
H11 | C11 | H11A | 114.1° | 108.9° |
H28 | C28 | H28A | 127.1° | 120.0° |
H21 | C21 | H21A | 109.4° | 109.4° |
H21 | C21 | H21B | 109.5° | 109.5° |
H21A | C21 | H21B | 109.5° | 109.5° |
H36 | C36 | H36A | 110.3° | 109.5° |
H24 | C24 | H24A | 110.1° | 109.5° |
H9 | C9 | H9A | 108.1° | 109.2° |
H15 | C15 | H15A | 103.7° | 110.9° |
H10 | C10 | H10A | 115.3° | 109.8° |
H30 | C30 | H30A | 110.1° | 109.5° |
H32 | C32 | H32A | 109.9° | 109.5° |
H34 | C34 | H34A | 110.6° | 109.5° |
H37 | C37 | H37A | 110.2° | 109.5° |
H38 | C38 | H38A | 109.9° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C20 | C17 | C16 | C13 | 132.3° | 118.9° |
C20 | C17 | C16 | H17 | 111.5° | 122.1° |
C20 | C17 | C13 | H17 | 110.0° | 122.1° |
C17 | C20 | C22 | C21 | 125.2° | 120.0° |
C17 | C20 | C22 | H20 | 114.2° | 120.0° |
C17 | C20 | C21 | H20 | 114.5° | 120.0° |
C20 | C17 | C13 | C12 | 87.3° | 92.2° |
C20 | C17 | C13 | C18 | 41.0° | 33.7° |
C20 | C17 | C16 | C15 | 142.8° | 122.9° |
C17 | C20 | C22 | C23 | 117.0° | 120.0° |
C20 | C17 | C13 | C14 | 159.6° | 149.2° |
C20 | C17 | C16 | H16 | 97.2° | 117.9° |
C20 | C17 | C16 | H16A | 22.4° | 3.6° |
C17 | C20 | C22 | H22 | 63.0° | 60.0° |
C17 | C20 | C21 | H21 | 117.8° | 180.0° |
C17 | C20 | C21 | H21A | 2.1° | 60.0° |
C17 | C20 | C21 | H21B | 122.2° | 60.0° |
C16 | C17 | C13 | H17 | 123.0° | 118.9° |
C16 | C17 | C20 | C22 | 176.1° | 178.6° |
C16 | C17 | C20 | C21 | 61.2° | 61.4° |
C16 | C17 | C13 | C12 | 145.7° | 148.9° |
C16 | C17 | C13 | C18 | 86.0° | 85.2° |
C17 | C16 | C15 | H16 | 120.0° | 119.2° |
C17 | C16 | C15 | H16A | 120.5° | 119.2° |
C17 | C16 | C15 | C14 | 17.2° | 24.2° |
C16 | C17 | C13 | C14 | 32.5° | 30.2° |
C16 | C17 | C20 | H20 | 58.9° | 58.5° |
C17 | C16 | H16 | H16A | 120.5° | 121.5° |
C17 | C16 | C15 | H15 | 137.2° | 142.5° |
C17 | C16 | C15 | H15A | 105.6° | 94.1° |
C13 | C17 | C20 | C22 | 52.0° | 62.9° |
C13 | C17 | C20 | C21 | 174.7° | 177.1° |
C17 | C13 | C12 | C11 | 154.6° | 175.6° |
C17 | C13 | C12 | C18 | 129.5° | 125.9° |
C17 | C13 | C12 | C14 | 108.1° | 116.3° |
C17 | C13 | C18 | C14 | 109.9° | 111.9° |
C13 | C17 | C16 | C15 | 10.5° | 4.0° |
C17 | C13 | C14 | C8 | 179.9° | 167.6° |
C17 | C13 | C14 | C15 | 45.3° | 45.6° |
C13 | C17 | C20 | H20 | 65.2° | 57.1° |
C17 | C13 | C12 | H12 | 34.6° | 64.9° |
C17 | C13 | C12 | H12A | 87.4° | 56.1° |
C17 | C13 | C18 | H18 | 95.4° | 69.1° |
C17 | C13 | C18 | H18A | 144.6° | 170.9° |
C17 | C13 | C18 | H18B | 24.6° | 50.9° |
C13 | C17 | C16 | H16 | 130.5° | 123.2° |
C13 | C17 | C16 | H16A | 110.0° | 115.3° |
C17 | C13 | C14 | H14 | 69.0° | 72.2° |
C2 | C1 | C10 | O1 | 123.3° | 119.7° |
C2 | C1 | C10 | H1 | 116.2° | 119.7° |
C2 | C1 | O1 | H1 | 116.2° | 120.5° |
C1 | C2 | C3 | C4 | 66.6° | 55.3° |
C1 | C2 | C3 | C28 | 178.3° | 180.0° |
C1 | C2 | C3 | O2 | 52.1° | 175.0° |
C2 | C1 | C10 | C5 | 19.6° | 49.5° |
C1 | C2 | C3 | H3 | 171.9° | 64.4° |
C1 | C2 | C28 | H28 | 1.0° | 0.1° |
C1 | C2 | C28 | H28A | 179.0° | 180.0° |
C2 | C1 | C10 | H10 | 100.3° | 169.2° |
C2 | C1 | C10 | H10A | 136.3° | 70.2° |
C2 | C1 | O1 | HO1 | 37.1° | 60.0° |
C10 | C1 | O1 | H1 | 119.5° | 120.4° |
C1 | C10 | C5 | C4 | 14.4° | 55.3° |
C10 | C1 | C2 | C3 | 47.4° | 55.3° |
C10 | C1 | C2 | C28 | 130.8° | 124.7° |
C1 | C10 | C5 | C6 | 168.7° | 124.7° |
C1 | C10 | C5 | H10 | 120.0° | 119.7° |
C1 | C10 | C5 | H10A | 116.7° | 119.7° |
C1 | C10 | H10 | H10A | 117.1° | 120.4° |
C10 | C1 | O1 | HO1 | 161.4° | 179.1° |
O1 | C1 | C2 | C3 | 168.1° | 64.4° |
O1 | C1 | C2 | C28 | 10.2° | 115.6° |
O1 | C1 | C10 | C5 | 143.0° | 70.3° |
O1 | C1 | C10 | H10 | 23.0° | 49.5° |
O1 | C1 | C10 | H10A | 100.4° | 170.0° |
C3 | C4 | C5 | H4 | 120.0° | 119.8° |
C3 | C4 | C5 | H4A | 119.2° | 119.7° |
C4 | C3 | C2 | O2 | 118.7° | 119.7° |
C4 | C3 | C2 | H3 | 121.5° | 119.7° |
C4 | C3 | C2 | C28 | 111.8° | 124.7° |
C4 | C3 | O2 | H3 | 121.5° | 120.4° |
C3 | C4 | C5 | C6 | 150.3° | 124.7° |
C3 | C4 | C5 | C10 | 32.8° | 55.3° |
C3 | C4 | H4 | H4A | 119.2° | 120.4° |
C4 | C3 | O2 | HO2 | 179.6° | 180.0° |
C5 | C4 | C3 | C2 | 55.8° | 49.4° |
C5 | C4 | C3 | O2 | 64.1° | 169.2° |
C4 | C5 | C6 | C7 | 178.4° | 173.9° |
C4 | C5 | C6 | C10 | 176.9° | 180.0° |
C5 | C4 | H4 | H4A | 119.2° | 120.5° |
C5 | C4 | C3 | H3 | 176.1° | 70.3° |
C4 | C5 | C6 | H6 | 1.6° | 6.1° |
C4 | C5 | C10 | H10 | 105.5° | 175.0° |
C4 | C5 | C10 | H10A | 131.1° | 64.4° |
C22 | C20 | C21 | H20 | 118.1° | 120.0° |
C20 | C22 | C23 | H22 | 180.0° | 179.9° |
C20 | C22 | C23 | C24 | 178.9° | 180.0° |
C22 | C20 | C17 | H17 | 61.8° | 59.3° |
C20 | C22 | C23 | H23 | 1.0° | 0.1° |
C22 | C20 | C21 | H21 | 114.8° | 60.0° |
C22 | C20 | C21 | H21A | 125.3° | 180.0° |
C22 | C20 | C21 | H21B | 5.2° | 60.0° |
C21 | C20 | C22 | C23 | 117.7° | 120.1° |
C21 | C20 | C17 | H17 | 60.9° | 60.7° |
C21 | C20 | C22 | H22 | 62.3° | 60.0° |
C20 | C21 | H21 | H21A | 120.0° | 120.0° |
C20 | C21 | H21 | H21B | 120.0° | 120.0° |
C20 | C21 | H21A | H21B | 120.0° | 120.0° |
C11 | C12 | C13 | H12 | 120.0° | 119.5° |
C11 | C12 | C13 | H12A | 118.0° | 119.5° |
C11 | C12 | C13 | C18 | 75.9° | 49.7° |
C12 | C11 | C9 | H11 | 120.0° | 120.6° |
C12 | C11 | C9 | H11A | 117.4° | 120.6° |
C12 | C11 | C9 | C8 | 48.4° | 48.6° |
C11 | C12 | C13 | C14 | 46.5° | 68.0° |
C11 | C12 | H12 | H12A | 118.2° | 120.9° |
C12 | C11 | H11 | H11A | 117.6° | 118.8° |
C12 | C11 | C9 | H9 | 168.4° | 168.9° |
C12 | C11 | C9 | H9A | 72.3° | 71.8° |
C12 | C13 | C18 | C14 | 119.0° | 117.1° |
C13 | C12 | C11 | C9 | 43.5° | 59.0° |
C12 | C13 | C14 | C8 | 59.9° | 66.5° |
C12 | C13 | C14 | C15 | 165.6° | 171.4° |
C12 | C13 | C17 | H17 | 22.7° | 29.9° |
C13 | C12 | H12 | H12A | 118.2° | 121.0° |
C12 | C13 | C18 | H18 | 35.7° | 61.9° |
C12 | C13 | C18 | H18A | 84.3° | 58.1° |
C12 | C13 | C18 | H18B | 155.7° | 178.2° |
C13 | C12 | C11 | H11 | 76.5° | 61.5° |
C13 | C12 | C11 | H11A | 160.9° | 179.7° |
C12 | C13 | C14 | H14 | 51.2° | 53.7° |
C18 | C13 | C14 | C8 | 61.1° | 51.7° |
C18 | C13 | C14 | C15 | 73.5° | 70.4° |
C18 | C13 | C17 | H17 | 151.0° | 155.9° |
C18 | C13 | C12 | H12 | 164.0° | 169.2° |
C18 | C13 | C12 | H12A | 42.1° | 69.8° |
C13 | C18 | H18 | H18A | 120.0° | 120.0° |
C13 | C18 | H18 | H18B | 120.0° | 120.0° |
C13 | C18 | H18A | H18B | 120.0° | 120.0° |
C18 | C13 | C14 | H14 | 172.2° | 171.9° |
C2 | C3 | O2 | H3 | 120.4° | 120.5° |
C3 | C2 | C1 | H1 | 71.7° | 175.0° |
C2 | C3 | C4 | H4 | 175.8° | 70.3° |
C2 | C3 | C4 | H4A | 63.3° | 169.2° |
C3 | C2 | C28 | H28 | 179.2° | 180.0° |
C3 | C2 | C28 | H28A | 0.8° | 0.0° |
C2 | C3 | O2 | HO2 | 61.5° | 60.9° |
C28 | C2 | C3 | O2 | 129.5° | 4.9° |
C28 | C2 | C1 | H1 | 110.0° | 5.0° |
C28 | C2 | C3 | H3 | 9.7° | 115.6° |
C2 | C28 | H28 | H28A | 180.0° | 179.9° |
O2 | C3 | C4 | H4 | 55.9° | 49.4° |
O2 | C3 | C4 | H4A | 176.7° | 71.1° |
C16 | C15 | C14 | C8 | 167.6° | 156.2° |
C16 | C15 | C14 | H15 | 120.0° | 118.3° |
C16 | C15 | C14 | H15A | 122.8° | 118.3° |
C16 | C15 | C14 | C13 | 39.7° | 42.3° |
C15 | C16 | C17 | H17 | 105.7° | 115.0° |
C15 | C16 | H16 | H16A | 120.5° | 121.6° |
C16 | C15 | C14 | H14 | 83.7° | 76.0° |
C16 | C15 | H15 | H15A | 123.1° | 123.4° |
C11 | C9 | C8 | C7 | 114.0° | 129.8° |
C11 | C9 | C8 | C14 | 61.7° | 50.2° |
C11 | C9 | C8 | H9 | 120.0° | 120.3° |
C11 | C9 | C8 | H9A | 120.7° | 120.3° |
C9 | C11 | C12 | H12 | 76.5° | 60.5° |
C9 | C11 | C12 | H12A | 161.5° | 178.6° |
C9 | C11 | H11 | H11A | 117.7° | 118.9° |
C11 | C9 | H9 | H9A | 120.7° | 119.4° |
C22 | C23 | C24 | H23 | 180.0° | 179.9° |
C22 | C23 | C24 | C25 | 137.5° | 125.1° |
C23 | C22 | C20 | H20 | 2.8° | 0.1° |
C22 | C23 | C24 | H24 | 17.5° | 115.0° |
C22 | C23 | C24 | H24A | 102.8° | 5.0° |
C23 | C24 | C25 | H24 | 120.0° | 120.0° |
C23 | C24 | C25 | H24A | 119.6° | 120.0° |
C23 | C24 | C25 | C29 | 175.0° | 175.0° |
C23 | C24 | C25 | O3 | 60.2° | 65.0° |
C24 | C23 | C22 | H22 | 1.1° | 0.1° |
C23 | C24 | H24 | H24A | 119.6° | 120.0° |
C23 | C24 | C25 | H25 | 61.3° | 55.0° |
C35 | C36 | C31 | H36 | 120.0° | 120.0° |
C35 | C36 | C31 | H36A | 119.6° | 120.0° |
C36 | C35 | C37 | C38 | 119.4° | 120.0° |
C36 | C35 | C37 | H35 | 120.4° | 119.9° |
C36 | C35 | C38 | H35 | 120.4° | 120.0° |
C35 | C36 | C31 | C30 | 61.0° | 60.0° |
C35 | C36 | C31 | C32 | 58.5° | 60.0° |
C36 | C35 | C37 | C29 | 58.9° | 60.0° |
C36 | C35 | C38 | C33 | 59.4° | 60.0° |
C35 | C36 | H36 | H36A | 119.6° | 120.0° |
C35 | C36 | C31 | H31 | 178.5° | 179.9° |
C36 | C35 | C37 | H37 | 178.9° | 180.0° |
C36 | C35 | C37 | H37A | 60.7° | 59.9° |
C36 | C35 | C38 | H38 | 60.6° | 60.0° |
C36 | C35 | C38 | H38A | 179.2° | 180.0° |
C31 | C36 | C35 | C37 | 60.5° | 60.0° |
C31 | C36 | C35 | C38 | 58.8° | 60.0° |
C36 | C31 | C30 | C32 | 119.5° | 120.0° |
C36 | C31 | C30 | H31 | 120.5° | 120.0° |
C36 | C31 | C32 | H31 | 120.5° | 119.9° |
C36 | C31 | C30 | C29 | 59.8° | 60.0° |
C36 | C31 | C32 | C33 | 58.9° | 60.0° |
C31 | C36 | H36 | H36A | 119.6° | 120.0° |
C31 | C36 | C35 | H35 | 179.0° | 180.0° |
C36 | C31 | C30 | H30 | 60.2° | 60.0° |
C36 | C31 | C30 | H30A | 179.5° | 180.0° |
C36 | C31 | C32 | H32 | 178.9° | 180.0° |
C36 | C31 | C32 | H32A | 60.9° | 59.9° |
C24 | C25 | C29 | C30 | 73.1° | 180.0° |
C24 | C25 | C29 | C34 | 168.1° | 60.0° |
C24 | C25 | C29 | C37 | 49.9° | 60.0° |
C24 | C25 | C29 | O3 | 123.5° | 120.0° |
C24 | C25 | C29 | H25 | 115.3° | 120.0° |
C24 | C25 | O3 | H25 | 116.4° | 119.9° |
C25 | C24 | C23 | H23 | 42.4° | 55.0° |
C25 | C24 | H24 | H24A | 119.7° | 120.0° |
C24 | C25 | O3 | HO3 | 126.0° | 60.0° |
C37 | C35 | C38 | H35 | 120.5° | 120.0° |
C35 | C37 | C29 | C30 | 58.2° | 60.0° |
C35 | C37 | C29 | C34 | 59.4° | 60.0° |
C35 | C37 | C29 | H37 | 120.0° | 120.0° |
C35 | C37 | C29 | H37A | 119.6° | 120.0° |
C35 | C37 | C29 | C25 | 177.0° | 180.0° |
C37 | C35 | C38 | C33 | 59.8° | 60.0° |
C37 | C35 | C36 | H36 | 59.4° | 59.9° |
C37 | C35 | C36 | H36A | 179.9° | 180.0° |
C35 | C37 | H37 | H37A | 119.6° | 120.1° |
C37 | C35 | C38 | H38 | 179.7° | 180.0° |
C37 | C35 | C38 | H38A | 60.0° | 60.0° |
C38 | C35 | C37 | C29 | 60.5° | 60.0° |
C35 | C38 | C33 | C32 | 59.9° | 60.0° |
C35 | C38 | C33 | C34 | 58.9° | 60.0° |
C35 | C38 | C33 | H38 | 120.0° | 120.0° |
C35 | C38 | C33 | H38A | 119.8° | 120.0° |
C38 | C35 | C36 | H36 | 178.8° | 180.0° |
C38 | C35 | C36 | H36A | 60.8° | 60.0° |
C35 | C38 | C33 | H33 | 179.5° | 180.0° |
C38 | C35 | C37 | H37 | 59.5° | 60.0° |
C38 | C35 | C37 | H37A | 179.9° | 179.9° |
C35 | C38 | H38 | H38A | 119.8° | 120.0° |
C30 | C31 | C32 | H31 | 120.6° | 120.0° |
C31 | C30 | C29 | H30 | 120.0° | 119.9° |
C31 | C30 | C29 | H30A | 119.6° | 120.0° |
C31 | C30 | C29 | C34 | 58.9° | 60.0° |
C31 | C30 | C29 | C37 | 58.8° | 60.0° |
C31 | C30 | C29 | C25 | 177.1° | 180.0° |
C30 | C31 | C32 | C33 | 60.0° | 60.0° |
C30 | C31 | C36 | H36 | 59.0° | 59.9° |
C30 | C31 | C36 | H36A | 179.5° | 180.0° |
C31 | C30 | H30 | H30A | 119.6° | 120.0° |
C30 | C31 | C32 | H32 | 60.0° | 60.0° |
C30 | C31 | C32 | H32A | 179.7° | 180.0° |
C32 | C31 | C30 | C29 | 59.7° | 60.0° |
C31 | C32 | C33 | H32 | 120.0° | 120.0° |
C31 | C32 | C33 | H32A | 119.7° | 120.0° |
C31 | C32 | C33 | C34 | 59.7° | 60.0° |
C31 | C32 | C33 | C38 | 59.6° | 60.0° |
C32 | C31 | C36 | H36 | 178.5° | 180.0° |
C32 | C31 | C36 | H36A | 61.0° | 59.9° |
C32 | C31 | C30 | H30 | 179.7° | 180.0° |
C32 | C31 | C30 | H30A | 59.9° | 59.9° |
C31 | C32 | H32 | H32A | 119.7° | 120.1° |
C31 | C32 | C33 | H33 | 179.7° | 180.0° |
C7 | C8 | C14 | C9 | 175.9° | 180.0° |
C8 | C7 | C6 | H7 | 180.0° | 180.0° |
C7 | C8 | C14 | C15 | 21.5° | 10.3° |
C7 | C8 | C14 | C13 | 104.6° | 121.8° |
C8 | C7 | C6 | C5 | 171.3° | 174.6° |
C7 | C8 | C14 | H14 | 132.7° | 117.5° |
C7 | C8 | C9 | H9 | 6.0° | 9.4° |
C7 | C8 | C9 | H9A | 125.3° | 109.9° |
C8 | C7 | C6 | H6 | 8.7° | 5.4° |
C14 | C8 | C7 | C6 | 180.0° | 180.0° |
C8 | C14 | C15 | C13 | 127.9° | 113.9° |
C8 | C14 | C15 | H14 | 108.8° | 127.8° |
C8 | C14 | C13 | H14 | 111.1° | 120.2° |
C14 | C8 | C7 | H7 | 0.0° | 0.0° |
C14 | C8 | C9 | H9 | 178.2° | 170.6° |
C14 | C8 | C9 | H9A | 58.9° | 70.1° |
C8 | C14 | C15 | H15 | 72.4° | 85.5° |
C8 | C14 | C15 | H15A | 44.8° | 37.9° |
C9 | C8 | C7 | C6 | 4.8° | 0.0° |
C9 | C8 | C14 | C15 | 162.6° | 169.6° |
C9 | C8 | C14 | C13 | 71.3° | 58.2° |
C8 | C9 | C11 | H11 | 71.5° | 72.0° |
C8 | C9 | C11 | H11A | 165.8° | 169.2° |
C9 | C8 | C7 | H7 | 175.2° | 180.0° |
C9 | C8 | C14 | H14 | 51.4° | 62.5° |
C8 | C9 | H9 | H9A | 120.7° | 119.4° |
C7 | C6 | C5 | H6 | 180.0° | 180.0° |
C7 | C6 | C5 | C10 | 4.7° | 6.1° |
C15 | C14 | C13 | H14 | 114.3° | 117.7° |
C14 | C15 | C16 | H16 | 102.8° | 95.0° |
C14 | C15 | C16 | H16A | 137.6° | 143.4° |
C14 | C15 | H15 | H15A | 123.1° | 123.3° |
C14 | C13 | C17 | H17 | 90.5° | 88.7° |
C14 | C13 | C12 | H12 | 73.5° | 51.5° |
C14 | C13 | C12 | H12A | 164.5° | 172.4° |
C14 | C13 | C18 | H18 | 154.7° | 179.0° |
C14 | C13 | C18 | H18A | 34.7° | 59.0° |
C14 | C13 | C18 | H18B | 85.3° | 61.0° |
C13 | C14 | C15 | H15 | 159.7° | 160.6° |
C13 | C14 | C15 | H15A | 83.1° | 76.0° |
C6 | C5 | C4 | H4 | 30.3° | 115.5° |
C6 | C5 | C4 | H4A | 90.6° | 5.0° |
C5 | C6 | C7 | H7 | 8.7° | 5.4° |
C6 | C5 | C10 | H10 | 71.3° | 5.0° |
C6 | C5 | C10 | H10A | 52.0° | 115.6° |
C5 | C10 | C1 | H1 | 96.5° | 169.2° |
C10 | C5 | C4 | H4 | 152.8° | 64.5° |
C10 | C5 | C4 | H4A | 86.3° | 175.0° |
C10 | C5 | C6 | H6 | 175.3° | 173.9° |
C5 | C10 | H10 | H10A | 117.0° | 120.5° |
C30 | C29 | C34 | C37 | 118.3° | 120.1° |
C30 | C29 | C34 | C25 | 121.6° | 120.0° |
C30 | C29 | C37 | C25 | 124.8° | 120.0° |
C30 | C29 | C34 | C33 | 59.6° | 60.0° |
C30 | C29 | C25 | O3 | 50.4° | 60.0° |
C29 | C30 | C31 | H31 | 179.6° | 180.0° |
C29 | C30 | H30 | H30A | 119.6° | 120.0° |
C30 | C29 | C34 | H34 | 179.6° | 180.0° |
C30 | C29 | C34 | H34A | 59.8° | 59.9° |
C30 | C29 | C37 | H37 | 178.2° | 180.0° |
C30 | C29 | C37 | H37A | 61.5° | 59.9° |
C30 | C29 | C25 | H25 | 171.6° | 60.0° |
C34 | C29 | C37 | C25 | 117.6° | 120.0° |
C29 | C34 | C33 | C32 | 60.3° | 60.0° |
C29 | C34 | C33 | H34 | 120.0° | 120.1° |
C29 | C34 | C33 | H34A | 119.4° | 119.9° |
C29 | C34 | C33 | C38 | 58.9° | 60.0° |
C34 | C29 | C25 | O3 | 68.4° | 180.0° |
C34 | C29 | C30 | H30 | 179.0° | 180.0° |
C34 | C29 | C30 | H30A | 60.7° | 60.0° |
C29 | C34 | H34 | H34A | 119.4° | 120.0° |
C29 | C34 | C33 | H33 | 179.1° | 180.0° |
C34 | C29 | C37 | H37 | 60.6° | 60.0° |
C34 | C29 | C37 | H37A | 179.1° | 180.0° |
C34 | C29 | C25 | H25 | 52.8° | 60.0° |
C37 | C29 | C34 | C33 | 58.8° | 60.1° |
C37 | C29 | C25 | O3 | 173.4° | 60.0° |
C29 | C37 | C35 | H35 | 179.3° | 180.0° |
C37 | C29 | C30 | H30 | 61.2° | 59.9° |
C37 | C29 | C30 | H30A | 178.4° | 180.0° |
C37 | C29 | C34 | H34 | 61.2° | 59.9° |
C37 | C29 | C34 | H34A | 178.2° | 180.0° |
C29 | C37 | H37 | H37A | 119.6° | 120.0° |
C37 | C29 | C25 | H25 | 65.4° | 180.0° |
C25 | C29 | C34 | C33 | 178.9° | 180.0° |
C29 | C25 | O3 | H25 | 114.5° | 120.0° |
C29 | C25 | C24 | H24 | 65.0° | 65.0° |
C29 | C25 | C24 | H24A | 55.4° | 55.0° |
C25 | C29 | C30 | H30 | 62.8° | 60.1° |
C25 | C29 | C30 | H30A | 57.5° | 60.0° |
C25 | C29 | C34 | H34 | 58.9° | 60.0° |
C25 | C29 | C34 | H34A | 61.7° | 60.0° |
C25 | C29 | C37 | H37 | 57.0° | 60.0° |
C25 | C29 | C37 | H37A | 63.4° | 60.0° |
C29 | C25 | O3 | HO3 | 105.0° | 60.0° |
C32 | C33 | C34 | C38 | 119.2° | 120.0° |
C32 | C33 | C34 | H33 | 120.6° | 120.1° |
C32 | C33 | C38 | H33 | 120.6° | 120.1° |
C33 | C32 | C31 | H31 | 179.4° | 179.9° |
C33 | C32 | H32 | H32A | 119.7° | 119.9° |
C32 | C33 | C34 | H34 | 179.7° | 180.0° |
C32 | C33 | C34 | H34A | 59.1° | 60.0° |
C32 | C33 | C38 | H38 | 60.1° | 60.1° |
C32 | C33 | C38 | H38A | 179.7° | 180.0° |
C34 | C33 | C38 | H33 | 120.6° | 119.9° |
C34 | C33 | C32 | H32 | 60.3° | 60.1° |
C34 | C33 | C32 | H32A | 179.4° | 180.0° |
C33 | C34 | H34 | H34A | 119.4° | 119.9° |
C34 | C33 | C38 | H38 | 178.9° | 180.0° |
C34 | C33 | C38 | H38A | 60.9° | 60.0° |
C33 | C38 | C35 | H35 | 179.8° | 180.0° |
C38 | C33 | C32 | H32 | 179.6° | 180.0° |
C38 | C33 | C32 | H32A | 60.2° | 60.0° |
C38 | C33 | C34 | H34 | 61.1° | 60.0° |
C38 | C33 | C34 | H34A | 178.3° | 180.0° |
C33 | C38 | H38 | H38A | 119.8° | 120.0° |
O3 | C25 | C24 | H24 | 59.8° | 55.0° |
O3 | C25 | C24 | H24A | 179.8° | 175.0° |
H17 | C17 | C20 | H20 | 179.0° | 179.4° |
H17 | C17 | C16 | H16 | 14.3° | 4.2° |
H17 | C17 | C16 | H16A | 133.8° | 125.7° |
H1 | C1 | C10 | H10 | 143.5° | 71.1° |
H1 | C1 | C10 | H10A | 20.1° | 49.5° |
H1 | C1 | O1 | HO1 | 79.1° | 60.5° |
H4 | C4 | C3 | H3 | 63.9° | 169.9° |
H4A | C4 | C3 | H3 | 57.0° | 49.4° |
H20 | C20 | C22 | H22 | 177.1° | 180.0° |
H20 | C20 | C21 | H21 | 3.3° | 60.0° |
H20 | C20 | C21 | H21A | 116.7° | 60.0° |
H20 | C20 | C21 | H21B | 123.3° | 180.0° |
H12 | C12 | C11 | H11 | 163.5° | 178.9° |
H12 | C12 | C11 | H11A | 40.9° | 60.2° |
H12A | C12 | C11 | H11 | 41.5° | 58.0° |
H12A | C12 | C11 | H11A | 81.1° | 60.7° |
H18 | C18 | H18A | H18B | 120.0° | 119.9° |
H3 | C3 | O2 | HO2 | 58.9° | 59.6° |
H16 | C16 | C15 | H15 | 17.2° | 23.3° |
H16 | C16 | C15 | H15A | 134.4° | 146.7° |
H16A | C16 | C15 | H15 | 102.3° | 98.3° |
H16A | C16 | C15 | H15A | 14.9° | 25.1° |
H11 | C11 | C9 | H9 | 48.5° | 48.3° |
H11 | C11 | C9 | H9A | 167.8° | 167.7° |
H11A | C11 | C9 | H9 | 74.2° | 70.5° |
H11A | C11 | C9 | H9A | 45.1° | 48.9° |
H22 | C22 | C23 | H23 | 178.9° | 180.0° |
H23 | C23 | C24 | H24 | 162.4° | 64.9° |
H23 | C23 | C24 | H24A | 77.2° | 175.0° |
H21 | C21 | H21A | H21B | 120.0° | 120.0° |
H36 | C36 | C35 | H35 | 61.0° | 60.0° |
H36 | C36 | C31 | H31 | 61.6° | 60.1° |
H36A | C36 | C35 | H35 | 59.4° | 60.1° |
H36A | C36 | C31 | H31 | 58.9° | 60.0° |
H24 | C24 | C25 | H25 | 178.7° | 175.0° |
H24A | C24 | C25 | H25 | 58.3° | 65.1° |
H35 | C35 | C37 | H37 | 60.7° | 60.1° |
H35 | C35 | C37 | H37A | 59.7° | 60.0° |
H35 | C35 | C38 | H38 | 59.8° | 60.0° |
H35 | C35 | C38 | H38A | 60.4° | 60.0° |
H31 | C31 | C30 | H30 | 60.3° | 60.0° |
H31 | C31 | C30 | H30A | 60.0° | 60.0° |
H31 | C31 | C32 | H32 | 60.5° | 60.0° |
H31 | C31 | C32 | H32A | 59.7° | 60.0° |
H7 | C7 | C6 | H6 | 171.3° | 174.6° |
H14 | C14 | C15 | H15 | 36.4° | 42.3° |
H14 | C14 | C15 | H15A | 153.6° | 165.7° |
H32 | C32 | C33 | H33 | 60.2° | 60.0° |
H32A | C32 | C33 | H33 | 60.0° | 60.0° |
H34 | C34 | C33 | H33 | 59.1° | 59.9° |
H34A | C34 | C33 | H33 | 61.5° | 60.1° |
H33 | C33 | C38 | H38 | 60.5° | 60.0° |
H33 | C33 | C38 | H38A | 59.7° | 59.9° |
H25 | C25 | O3 | HO3 | 9.6° | 179.9° |