DZW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C10 | sing | 1.53Å | 1.52Å | |
C1 | C2 | sing | 1.53Å | 1.47Å | |
C10 | C11 | sing | 1.53Å | 1.52Å | |
C10 | O9 | sing | 1.43Å | 1.44Å | |
C10 | C13 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C28 | C27 | doub | 1.33Å | 1.32Å | |
C6 | C7 | sing | 1.53Å | 1.51Å | |
C27 | C26 | sing | 1.48Å | 1.47Å | |
C27 | C29 | sing | 1.52Å | 1.51Å | |
C34 | C26 | sing | 1.52Å | 1.51Å | |
C34 | C32 | sing | 1.53Å | 1.52Å | |
O30 | C29 | sing | 1.43Å | 1.41Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C31 | C29 | sing | 1.53Å | 1.52Å | |
C31 | C32 | sing | 1.53Å | 1.52Å | |
C26 | C25 | doub | 1.35Å | 1.36Å | |
C32 | O33 | sing | 1.43Å | 1.43Å | |
C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
C25 | C24 | sing | 1.41Å | 1.45Å | |
C7 | C8 | sing | 1.51Å | 1.50Å | |
C18 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C8 | doub | 1.35Å | 1.37Å | |
C8 | C23 | sing | 1.47Å | 1.49Å | |
C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.09Å | 1.10Å | |
C7 | H14 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.09Å | 1.10Å | |
O9 | H16 | sing | 0.97Å | 0.95Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C11 | H19 | sing | 1.09Å | 1.10Å | |
C12 | H20 | sing | 1.09Å | 1.10Å | |
C12 | H21 | sing | 1.09Å | 1.10Å | |
C12 | H22 | sing | 1.09Å | 1.10Å | |
C13 | H23 | sing | 1.09Å | 1.10Å | |
C13 | H24 | sing | 1.09Å | 1.10Å | |
C14 | H25 | sing | 1.09Å | 1.10Å | |
C14 | H26 | sing | 1.09Å | 1.10Å | |
C15 | H27 | sing | 1.09Å | 1.10Å | |
C15 | H28 | sing | 1.09Å | 1.10Å | |
C16 | H29 | sing | 1.09Å | 1.10Å | |
C16 | H30 | sing | 1.09Å | 1.10Å | |
C17 | H31 | sing | 1.09Å | 1.10Å | |
C17 | H32 | sing | 1.09Å | 1.10Å | |
C19 | H33 | sing | 1.08Å | 1.08Å | |
C20 | H34 | sing | 1.08Å | 1.08Å | |
C21 | H35 | sing | 1.08Å | 1.08Å | |
C22 | H36 | sing | 1.08Å | 1.08Å | |
C24 | H37 | sing | 1.08Å | 1.08Å | |
C25 | H38 | sing | 1.08Å | 1.08Å | |
C28 | H39 | sing | 1.08Å | 1.08Å | |
C28 | H40 | sing | 1.08Å | 1.08Å | |
C29 | H41 | sing | 1.09Å | 1.10Å | |
O30 | H42 | sing | 0.97Å | 0.95Å | |
C31 | H43 | sing | 1.09Å | 1.10Å | |
C31 | H44 | sing | 1.09Å | 1.10Å | |
C32 | H45 | sing | 1.09Å | 1.10Å | |
O33 | H46 | sing | 0.97Å | 0.95Å | |
C34 | H47 | sing | 1.09Å | 1.10Å | |
C34 | H48 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C10 | C11 | 110.7° | 109.5° |
C12 | C10 | O9 | 107.8° | 109.5° |
C12 | C10 | C13 | 110.8° | 109.5° |
C10 | C12 | H20 | 109.5° | 109.5° |
C10 | C12 | H21 | 109.5° | 109.5° |
C10 | C12 | H22 | 109.5° | 109.5° |
C1 | C2 | C3 | 111.2° | 109.5° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H2 | 109.5° | 109.5° |
C2 | C1 | H3 | 109.4° | 109.4° |
C1 | C2 | H4 | 109.1° | 109.5° |
C1 | C2 | H5 | 109.0° | 109.4° |
C11 | C10 | O9 | 107.7° | 109.5° |
C11 | C10 | C13 | 111.9° | 109.4° |
C10 | C11 | H17 | 109.5° | 109.5° |
C10 | C11 | H18 | 109.5° | 109.5° |
C10 | C11 | H19 | 109.5° | 109.5° |
O9 | C10 | C13 | 107.7° | 109.5° |
C10 | O9 | H16 | 109.5° | 114.0° |
C10 | C13 | C14 | 119.8° | 109.5° |
C10 | C13 | H23 | 106.8° | 109.4° |
C10 | C13 | H24 | 106.8° | 109.5° |
C2 | C3 | C4 | 112.7° | 109.5° |
C3 | C2 | H4 | 109.0° | 109.5° |
C3 | C2 | H5 | 109.0° | 109.5° |
C2 | C3 | H6 | 108.6° | 109.5° |
C2 | C3 | H7 | 108.6° | 109.5° |
C13 | C14 | C15 | 112.2° | 109.5° |
C14 | C13 | H23 | 106.8° | 109.5° |
C14 | C13 | H24 | 106.8° | 109.5° |
C13 | C14 | H25 | 108.8° | 109.4° |
C13 | C14 | H26 | 108.8° | 109.5° |
C3 | C4 | C5 | 114.9° | 109.5° |
C4 | C3 | H6 | 108.7° | 109.4° |
C4 | C3 | H7 | 108.7° | 109.5° |
C3 | C4 | H8 | 108.1° | 109.5° |
C3 | C4 | H9 | 108.1° | 109.5° |
C14 | C15 | C16 | 114.9° | 109.5° |
C15 | C14 | H25 | 108.8° | 109.5° |
C15 | C14 | H26 | 108.8° | 109.5° |
C14 | C15 | H27 | 108.1° | 109.5° |
C14 | C15 | H28 | 108.1° | 109.5° |
C4 | C5 | C6 | 109.7° | 109.5° |
C5 | C4 | H8 | 108.1° | 109.4° |
C5 | C4 | H9 | 108.1° | 109.5° |
C4 | C5 | H10 | 109.4° | 109.5° |
C4 | C5 | H11 | 109.4° | 109.5° |
C15 | C16 | C17 | 116.0° | 109.5° |
C16 | C15 | H27 | 108.1° | 109.5° |
C16 | C15 | H28 | 108.1° | 109.5° |
C15 | C16 | H29 | 107.8° | 109.5° |
C15 | C16 | H30 | 107.8° | 109.5° |
C5 | C6 | C7 | 113.9° | 109.4° |
C6 | C5 | H10 | 109.4° | 109.5° |
C6 | C5 | H11 | 109.4° | 109.5° |
C5 | C6 | H12 | 108.4° | 109.5° |
C5 | C6 | H13 | 108.4° | 109.5° |
C16 | C17 | C18 | 116.4° | 109.5° |
C17 | C16 | H29 | 107.8° | 109.4° |
C17 | C16 | H30 | 107.8° | 109.4° |
C16 | C17 | H31 | 107.7° | 109.5° |
C16 | C17 | H32 | 107.7° | 109.5° |
C28 | C27 | C26 | 121.0° | 121.6° |
C28 | C27 | C29 | 125.8° | 121.6° |
C27 | C28 | H39 | 120.0° | 119.9° |
C27 | C28 | H40 | 120.0° | 120.0° |
C6 | C7 | C8 | 111.5° | 109.4° |
C7 | C6 | H12 | 108.4° | 109.5° |
C7 | C6 | H13 | 108.4° | 109.5° |
C6 | C7 | H14 | 108.9° | 109.5° |
C6 | C7 | H15 | 109.0° | 109.5° |
C26 | C27 | C29 | 113.2° | 116.8° |
C27 | C26 | C34 | 113.6° | 116.7° |
C27 | C26 | C25 | 126.8° | 121.6° |
C27 | C29 | O30 | 108.9° | 109.7° |
C27 | C29 | C31 | 110.2° | 108.3° |
C27 | C29 | H41 | 108.8° | 109.7° |
C26 | C34 | C32 | 112.9° | 108.6° |
C34 | C26 | C25 | 119.4° | 121.6° |
C26 | C34 | H47 | 108.6° | 109.6° |
C26 | C34 | H48 | 108.6° | 109.6° |
C34 | C32 | C31 | 109.6° | 109.9° |
C34 | C32 | O33 | 109.9° | 109.5° |
C34 | C32 | H45 | 108.5° | 109.2° |
C32 | C34 | H47 | 108.6° | 109.7° |
C32 | C34 | H48 | 108.6° | 109.5° |
O30 | C29 | C31 | 110.2° | 109.8° |
O30 | C29 | H41 | 110.2° | 109.7° |
C29 | O30 | H42 | 109.5° | 114.0° |
C17 | C18 | C19 | 119.8° | 119.9° |
C17 | C18 | C20 | 121.4° | 119.9° |
C18 | C17 | H31 | 107.7° | 109.5° |
C18 | C17 | H32 | 107.7° | 109.4° |
C29 | C31 | C32 | 110.4° | 109.8° |
C31 | C29 | H41 | 108.6° | 109.6° |
C29 | C31 | H43 | 109.2° | 109.4° |
C29 | C31 | H44 | 109.2° | 109.4° |
C31 | C32 | O33 | 110.6° | 109.4° |
C32 | C31 | H43 | 109.3° | 109.4° |
C32 | C31 | H44 | 109.2° | 109.4° |
C31 | C32 | H45 | 108.5° | 109.4° |
C26 | C25 | C24 | 128.5° | 120.0° |
C26 | C25 | H38 | 115.7° | 120.0° |
O33 | C32 | H45 | 109.7° | 109.5° |
C32 | O33 | H46 | 109.5° | 114.0° |
C18 | C19 | C23 | 121.2° | 119.8° |
C19 | C18 | C20 | 118.7° | 120.2° |
C18 | C19 | H33 | 119.4° | 120.1° |
C19 | C23 | C8 | 120.3° | 120.2° |
C19 | C23 | C22 | 119.0° | 119.6° |
C23 | C19 | H33 | 119.4° | 120.1° |
C25 | C24 | C8 | 128.7° | 120.0° |
C25 | C24 | H37 | 115.6° | 120.0° |
C24 | C25 | H38 | 115.8° | 120.0° |
C7 | C8 | C24 | 124.6° | 120.0° |
C7 | C8 | C23 | 116.0° | 120.0° |
C8 | C7 | H14 | 109.0° | 109.5° |
C8 | C7 | H15 | 109.0° | 109.5° |
C18 | C20 | C21 | 120.8° | 120.3° |
C18 | C20 | H34 | 119.6° | 119.8° |
C24 | C8 | C23 | 119.2° | 120.0° |
C8 | C24 | H37 | 115.7° | 120.0° |
C8 | C23 | C22 | 120.7° | 120.2° |
C23 | C22 | C21 | 120.2° | 119.8° |
C23 | C22 | H36 | 119.9° | 120.1° |
C20 | C21 | C22 | 120.2° | 120.2° |
C21 | C20 | H34 | 119.6° | 119.8° |
C20 | C21 | H35 | 119.9° | 119.9° |
C22 | C21 | H35 | 119.9° | 119.9° |
C21 | C22 | H36 | 119.9° | 120.1° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.4° |
H4 | C2 | H5 | 109.4° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.4° |
H8 | C4 | H9 | 109.4° | 109.5° |
H10 | C5 | H11 | 109.4° | 109.4° |
H12 | C6 | H13 | 109.5° | 109.5° |
H14 | C7 | H15 | 109.5° | 109.5° |
H17 | C11 | H18 | 109.5° | 109.4° |
H17 | C11 | H19 | 109.4° | 109.5° |
H18 | C11 | H19 | 109.5° | 109.4° |
H20 | C12 | H21 | 109.4° | 109.4° |
H20 | C12 | H22 | 109.5° | 109.5° |
H21 | C12 | H22 | 109.5° | 109.5° |
H23 | C13 | H24 | 109.4° | 109.5° |
H25 | C14 | H26 | 109.5° | 109.4° |
H27 | C15 | H28 | 109.5° | 109.4° |
H29 | C16 | H30 | 109.4° | 109.5° |
H31 | C17 | H32 | 109.4° | 109.5° |
H39 | C28 | H40 | 120.0° | 120.1° |
H43 | C31 | H44 | 109.5° | 109.4° |
H47 | C34 | H48 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C10 | C11 | O9 | 117.7° | 120.0° |
C12 | C10 | C11 | C13 | 124.1° | 120.0° |
C12 | C10 | O9 | C13 | 119.6° | 120.0° |
C12 | C10 | C13 | C14 | 178.3° | 175.0° |
C12 | C10 | O9 | H16 | 180.0° | 60.0° |
C12 | C10 | C11 | H17 | 180.0° | 60.0° |
C12 | C10 | C11 | H18 | 60.0° | 60.0° |
C12 | C10 | C11 | H19 | 60.0° | 179.9° |
C10 | C12 | H20 | H21 | 120.0° | 119.9° |
C10 | C12 | H20 | H22 | 120.0° | 120.1° |
C10 | C12 | H21 | H22 | 120.0° | 120.1° |
C12 | C10 | C13 | H23 | 60.2° | 55.0° |
C12 | C10 | C13 | H24 | 56.8° | 65.0° |
C1 | C2 | C3 | H4 | 120.3° | 120.0° |
C1 | C2 | C3 | H5 | 120.3° | 120.0° |
C1 | C2 | C3 | C4 | 168.2° | 180.0° |
C2 | C1 | H1 | H2 | 120.0° | 120.0° |
C2 | C1 | H1 | H3 | 120.0° | 119.9° |
C2 | C1 | H2 | H3 | 120.0° | 119.9° |
C1 | C2 | H4 | H5 | 119.2° | 119.9° |
C1 | C2 | C3 | H6 | 47.7° | 60.0° |
C1 | C2 | C3 | H7 | 71.3° | 60.0° |
C11 | C10 | O9 | C13 | 120.8° | 120.0° |
C11 | C10 | C13 | C14 | 57.6° | 55.0° |
C11 | C10 | O9 | H16 | 60.4° | 180.0° |
C10 | C11 | H17 | H18 | 120.0° | 120.0° |
C10 | C11 | H17 | H19 | 120.0° | 120.1° |
C10 | C11 | H18 | H19 | 120.0° | 120.0° |
C11 | C10 | C12 | H20 | 180.0° | 60.1° |
C11 | C10 | C12 | H21 | 60.0° | 180.0° |
C11 | C10 | C12 | H22 | 60.0° | 60.0° |
C11 | C10 | C13 | H23 | 63.9° | 65.0° |
C11 | C10 | C13 | H24 | 179.0° | 175.0° |
O9 | C10 | C13 | C14 | 60.6° | 65.0° |
O9 | C10 | C11 | H17 | 62.3° | 60.1° |
O9 | C10 | C11 | H18 | 57.7° | 180.0° |
O9 | C10 | C11 | H19 | 177.7° | 60.0° |
O9 | C10 | C12 | H20 | 62.4° | 60.0° |
O9 | C10 | C12 | H21 | 177.6° | 60.0° |
O9 | C10 | C12 | H22 | 57.6° | 180.0° |
O9 | C10 | C13 | H23 | 177.9° | 175.0° |
O9 | C10 | C13 | H24 | 60.9° | 55.1° |
C10 | C13 | C14 | H23 | 121.5° | 119.9° |
C10 | C13 | C14 | H24 | 121.5° | 120.0° |
C10 | C13 | C14 | C15 | 163.1° | 180.0° |
C13 | C10 | O9 | H16 | 60.4° | 60.0° |
C13 | C10 | C11 | H17 | 55.8° | 180.0° |
C13 | C10 | C11 | H18 | 175.9° | 60.1° |
C13 | C10 | C11 | H19 | 64.1° | 59.9° |
C13 | C10 | C12 | H20 | 55.2° | 180.0° |
C13 | C10 | C12 | H21 | 64.7° | 60.0° |
C13 | C10 | C12 | H22 | 175.2° | 60.0° |
C10 | C13 | H23 | H24 | 115.3° | 119.9° |
C10 | C13 | C14 | H25 | 42.7° | 60.0° |
C10 | C13 | C14 | H26 | 76.5° | 60.0° |
C2 | C3 | C4 | H6 | 120.5° | 120.0° |
C2 | C3 | C4 | H7 | 120.4° | 120.0° |
C2 | C3 | C4 | C5 | 179.2° | 180.0° |
C3 | C2 | C1 | H1 | 180.0° | 60.0° |
C3 | C2 | C1 | H2 | 60.0° | 180.0° |
C3 | C2 | C1 | H3 | 60.0° | 60.0° |
C3 | C2 | H4 | H5 | 119.2° | 120.1° |
C2 | C3 | H6 | H7 | 118.5° | 120.0° |
C2 | C3 | C4 | H8 | 58.4° | 60.0° |
C2 | C3 | C4 | H9 | 60.0° | 60.0° |
C13 | C14 | C15 | H25 | 120.4° | 120.0° |
C13 | C14 | C15 | H26 | 120.4° | 120.0° |
C13 | C14 | C15 | C16 | 106.5° | 180.0° |
C14 | C13 | H23 | H24 | 115.3° | 120.1° |
C13 | C14 | H25 | H26 | 118.7° | 120.0° |
C13 | C14 | C15 | H27 | 132.8° | 60.0° |
C13 | C14 | C15 | H28 | 14.4° | 60.0° |
C3 | C4 | C5 | H8 | 120.8° | 120.0° |
C3 | C4 | C5 | H9 | 120.8° | 120.0° |
C3 | C4 | C5 | C6 | 92.9° | 180.0° |
C4 | C3 | C2 | H4 | 71.5° | 60.0° |
C4 | C3 | C2 | H5 | 47.9° | 60.0° |
C4 | C3 | H6 | H7 | 118.6° | 120.0° |
C3 | C4 | H8 | H9 | 117.5° | 120.0° |
C3 | C4 | C5 | H10 | 147.0° | 60.0° |
C3 | C4 | C5 | H11 | 27.1° | 59.9° |
C14 | C15 | C16 | H27 | 120.8° | 120.0° |
C14 | C15 | C16 | H28 | 120.8° | 120.1° |
C14 | C15 | C16 | C17 | 166.3° | 180.0° |
C15 | C14 | C13 | H23 | 75.5° | 60.1° |
C15 | C14 | C13 | H24 | 41.6° | 60.0° |
C15 | C14 | H25 | H26 | 118.8° | 120.0° |
C14 | C15 | H27 | H28 | 117.6° | 120.0° |
C14 | C15 | C16 | H29 | 72.8° | 60.1° |
C14 | C15 | C16 | H30 | 45.3° | 60.0° |
C4 | C5 | C6 | H10 | 120.1° | 120.0° |
C4 | C5 | C6 | H11 | 120.1° | 120.1° |
C4 | C5 | C6 | C7 | 166.7° | 180.0° |
C5 | C4 | C3 | H6 | 60.3° | 60.0° |
C5 | C4 | C3 | H7 | 58.8° | 60.0° |
C5 | C4 | H8 | H9 | 117.5° | 120.0° |
C4 | C5 | H10 | H11 | 119.9° | 120.0° |
C4 | C5 | C6 | H12 | 72.6° | 60.0° |
C4 | C5 | C6 | H13 | 46.1° | 60.0° |
C15 | C16 | C17 | H29 | 121.0° | 120.0° |
C15 | C16 | C17 | H30 | 121.0° | 120.0° |
C15 | C16 | C17 | C18 | 42.0° | 180.0° |
C16 | C15 | C14 | H25 | 13.9° | 60.0° |
C16 | C15 | C14 | H26 | 133.2° | 60.0° |
C16 | C15 | H27 | H28 | 117.5° | 120.0° |
C15 | C16 | H29 | H30 | 117.0° | 120.1° |
C15 | C16 | C17 | H31 | 79.0° | 60.0° |
C15 | C16 | C17 | H32 | 163.0° | 60.0° |
C5 | C6 | C7 | H12 | 120.6° | 120.0° |
C5 | C6 | C7 | H13 | 120.7° | 120.0° |
C5 | C6 | C7 | C8 | 175.4° | 180.0° |
C6 | C5 | C4 | H8 | 27.9° | 60.0° |
C6 | C5 | C4 | H9 | 146.3° | 60.0° |
C6 | C5 | H10 | H11 | 119.9° | 120.0° |
C5 | C6 | H12 | H13 | 118.0° | 120.0° |
C5 | C6 | C7 | H14 | 55.1° | 60.0° |
C5 | C6 | C7 | H15 | 64.3° | 60.0° |
C16 | C17 | C18 | H31 | 121.0° | 120.1° |
C16 | C17 | C18 | H32 | 121.0° | 120.0° |
C16 | C17 | C18 | C19 | 119.2° | 89.7° |
C16 | C17 | C18 | C20 | 58.2° | 90.0° |
C17 | C16 | C15 | H27 | 45.5° | 60.0° |
C17 | C16 | C15 | H28 | 72.9° | 60.0° |
C17 | C16 | H29 | H30 | 117.0° | 119.9° |
C16 | C17 | H31 | H32 | 116.9° | 120.0° |
C28 | C27 | C26 | C29 | 179.9° | 180.0° |
C28 | C27 | C26 | C34 | 130.5° | 137.2° |
C28 | C27 | C29 | O30 | 5.0° | 106.8° |
C28 | C27 | C29 | C31 | 125.9° | 133.4° |
C28 | C27 | C26 | C25 | 45.1° | 43.1° |
C27 | C28 | H39 | H40 | 180.0° | 180.0° |
C28 | C27 | C29 | H41 | 115.1° | 13.7° |
C6 | C7 | C8 | H14 | 120.3° | 120.0° |
C6 | C7 | C8 | H15 | 120.3° | 120.0° |
C6 | C7 | C8 | C24 | 82.4° | 95.0° |
C6 | C7 | C8 | C23 | 92.4° | 85.0° |
C7 | C6 | C5 | H10 | 46.6° | 60.0° |
C7 | C6 | C5 | H11 | 73.2° | 60.0° |
C7 | C6 | H12 | H13 | 118.0° | 120.0° |
C6 | C7 | H14 | H15 | 119.1° | 120.1° |
C27 | C26 | C34 | C25 | 175.9° | 179.7° |
C27 | C26 | C34 | C32 | 49.4° | 46.2° |
C26 | C27 | C29 | O30 | 174.9° | 73.1° |
C26 | C27 | C29 | C31 | 54.0° | 46.7° |
C27 | C26 | C25 | C24 | 4.7° | 0.0° |
C27 | C26 | C25 | H38 | 175.2° | 180.0° |
C26 | C27 | C28 | H39 | 179.9° | 0.0° |
C26 | C27 | C28 | H40 | 0.1° | 180.0° |
C26 | C27 | C29 | H41 | 65.0° | 166.3° |
C27 | C26 | C34 | H47 | 71.2° | 166.1° |
C27 | C26 | C34 | H48 | 169.8° | 73.4° |
C29 | C27 | C26 | C34 | 49.4° | 42.9° |
C27 | C29 | O30 | C31 | 120.9° | 118.9° |
C27 | C29 | O30 | H41 | 119.2° | 120.5° |
C27 | C29 | C31 | H41 | 119.1° | 119.7° |
C27 | C29 | C31 | C32 | 58.8° | 57.7° |
C29 | C27 | C26 | C25 | 135.0° | 136.8° |
C29 | C27 | C28 | H39 | 0.0° | 180.0° |
C29 | C27 | C28 | H40 | 180.0° | 0.0° |
C27 | C29 | O30 | H42 | 180.0° | 60.0° |
C27 | C29 | C31 | H43 | 178.9° | 62.4° |
C27 | C29 | C31 | H44 | 61.4° | 177.7° |
C26 | C34 | C32 | H47 | 120.5° | 119.8° |
C26 | C34 | C32 | H48 | 120.5° | 119.7° |
C26 | C34 | C32 | C31 | 53.5° | 57.4° |
C26 | C34 | C32 | O33 | 68.3° | 177.6° |
C34 | C26 | C25 | C24 | 179.9° | 179.7° |
C34 | C26 | C25 | H38 | 0.1° | 0.3° |
C26 | C34 | C32 | H45 | 171.8° | 62.6° |
C26 | C34 | H47 | H48 | 118.4° | 120.5° |
C34 | C32 | C31 | C29 | 58.5° | 66.0° |
C34 | C32 | C31 | O33 | 121.3° | 120.2° |
C34 | C32 | C31 | H45 | 118.3° | 119.8° |
C32 | C34 | C26 | C25 | 134.7° | 133.4° |
C34 | C32 | O33 | H45 | 119.2° | 119.6° |
C34 | C32 | C31 | H43 | 178.6° | 54.0° |
C34 | C32 | C31 | H44 | 61.6° | 173.9° |
C34 | C32 | O33 | H46 | 180.0° | 59.5° |
C32 | C34 | H47 | H48 | 118.4° | 120.3° |
O30 | C29 | C31 | H41 | 120.8° | 120.6° |
O30 | C29 | C31 | C32 | 178.9° | 62.1° |
O30 | C29 | C31 | H43 | 60.9° | 177.8° |
O30 | C29 | C31 | H44 | 58.8° | 58.0° |
C17 | C18 | C19 | C20 | 177.5° | 179.7° |
C17 | C18 | C19 | C23 | 177.3° | 180.0° |
C17 | C18 | C20 | C21 | 177.2° | 180.0° |
C18 | C17 | C16 | H29 | 163.0° | 60.0° |
C18 | C17 | C16 | H30 | 79.0° | 60.0° |
C18 | C17 | H31 | H32 | 116.9° | 120.0° |
C17 | C18 | C19 | H33 | 2.7° | 0.0° |
C17 | C18 | C20 | H34 | 2.8° | 0.0° |
C29 | C31 | C32 | H43 | 120.1° | 120.1° |
C29 | C31 | C32 | H44 | 120.1° | 120.0° |
C29 | C31 | C32 | O33 | 62.8° | 173.7° |
C31 | C29 | O30 | H42 | 59.1° | 178.9° |
C29 | C31 | H43 | H44 | 119.6° | 119.8° |
C29 | C31 | C32 | H45 | 176.9° | 53.8° |
C31 | C32 | O33 | H45 | 119.7° | 119.9° |
C32 | C31 | C29 | H41 | 60.3° | 177.4° |
C32 | C31 | H43 | H44 | 119.6° | 119.9° |
C31 | C32 | O33 | H46 | 58.9° | 180.0° |
C31 | C32 | C34 | H47 | 67.1° | 177.2° |
C31 | C32 | C34 | H48 | 173.9° | 62.3° |
C26 | C25 | C24 | H38 | 180.0° | 179.9° |
C26 | C25 | C24 | C8 | 160.8° | 180.0° |
C26 | C25 | C24 | H37 | 19.2° | 0.0° |
C25 | C26 | C34 | H47 | 104.7° | 13.6° |
C25 | C26 | C34 | H48 | 14.2° | 106.9° |
O33 | C32 | C31 | H43 | 57.3° | 66.2° |
O33 | C32 | C31 | H44 | 177.1° | 53.7° |
O33 | C32 | C34 | H47 | 171.2° | 62.6° |
O33 | C32 | C34 | H48 | 52.2° | 57.8° |
C18 | C19 | C23 | H33 | 180.0° | 180.0° |
C18 | C19 | C23 | C8 | 178.4° | 179.9° |
C18 | C19 | C23 | C22 | 0.4° | 0.1° |
C19 | C18 | C20 | C21 | 0.3° | 0.3° |
C19 | C18 | C17 | H31 | 1.8° | 150.2° |
C19 | C18 | C17 | H32 | 119.7° | 30.2° |
C19 | C18 | C20 | H34 | 179.8° | 179.8° |
C19 | C23 | C8 | C7 | 27.5° | 115.0° |
C23 | C19 | C18 | C20 | 0.2° | 0.2° |
C19 | C23 | C8 | C24 | 147.5° | 65.0° |
C19 | C23 | C8 | C22 | 178.8° | 180.0° |
C19 | C23 | C22 | C21 | 0.8° | 0.3° |
C19 | C23 | C22 | H36 | 179.2° | 179.9° |
C25 | C24 | C8 | C7 | 0.3° | 0.0° |
C25 | C24 | C8 | H37 | 180.0° | 180.0° |
C25 | C24 | C8 | C23 | 174.9° | 180.0° |
C7 | C8 | C24 | C23 | 174.6° | 179.9° |
C7 | C8 | C23 | C22 | 153.7° | 65.1° |
C8 | C7 | C6 | H12 | 63.9° | 60.0° |
C8 | C7 | C6 | H13 | 54.8° | 60.0° |
C8 | C7 | H14 | H15 | 119.1° | 120.0° |
C7 | C8 | C24 | H37 | 179.7° | 179.9° |
C18 | C20 | C21 | H34 | 180.0° | 180.0° |
C18 | C20 | C21 | C22 | 0.6° | 0.0° |
C20 | C18 | C17 | H31 | 179.2° | 30.0° |
C20 | C18 | C17 | H32 | 62.8° | 150.0° |
C20 | C18 | C19 | H33 | 179.8° | 179.7° |
C18 | C20 | C21 | H35 | 179.4° | 180.0° |
C24 | C8 | C23 | C22 | 31.2° | 115.0° |
C24 | C8 | C7 | H14 | 37.9° | 25.0° |
C24 | C8 | C7 | H15 | 157.3° | 145.0° |
C8 | C24 | C25 | H38 | 19.2° | 0.1° |
C8 | C23 | C22 | C21 | 178.0° | 179.7° |
C23 | C8 | C7 | H14 | 147.3° | 155.0° |
C23 | C8 | C7 | H15 | 27.9° | 35.0° |
C8 | C23 | C19 | H33 | 1.6° | 0.0° |
C8 | C23 | C22 | H36 | 2.0° | 0.0° |
C23 | C8 | C24 | H37 | 5.1° | 0.0° |
C23 | C22 | C21 | C20 | 0.8° | 0.3° |
C23 | C22 | C21 | H36 | 180.0° | 179.6° |
C22 | C23 | C19 | H33 | 179.6° | 180.0° |
C23 | C22 | C21 | H35 | 179.2° | 179.7° |
C20 | C21 | C22 | H35 | 180.0° | 180.0° |
C20 | C21 | C22 | H36 | 179.2° | 179.9° |
C22 | C21 | C20 | H34 | 179.4° | 180.0° |
H1 | C1 | H2 | H3 | 120.0° | 120.1° |
H1 | C1 | C2 | H4 | 59.7° | 180.0° |
H1 | C1 | C2 | H5 | 59.7° | 60.0° |
H2 | C1 | C2 | H4 | 60.3° | 59.9° |
H2 | C1 | C2 | H5 | 179.7° | 60.0° |
H3 | C1 | C2 | H4 | 179.7° | 60.0° |
H3 | C1 | C2 | H5 | 60.3° | 180.0° |
H4 | C2 | C3 | H6 | 168.0° | 180.0° |
H4 | C2 | C3 | H7 | 49.0° | 60.0° |
H5 | C2 | C3 | H6 | 72.6° | 60.0° |
H5 | C2 | C3 | H7 | 168.4° | 179.9° |
H6 | C3 | C4 | H8 | 178.9° | 180.0° |
H6 | C3 | C4 | H9 | 60.5° | 60.0° |
H7 | C3 | C4 | H8 | 62.0° | 60.0° |
H7 | C3 | C4 | H9 | 179.6° | 180.0° |
H8 | C4 | C5 | H10 | 92.2° | 180.0° |
H8 | C4 | C5 | H11 | 148.0° | 60.1° |
H9 | C4 | C5 | H10 | 26.2° | 60.1° |
H9 | C4 | C5 | H11 | 93.7° | 180.0° |
H10 | C5 | C6 | H12 | 167.3° | 180.0° |
H10 | C5 | C6 | H13 | 74.0° | 60.0° |
H11 | C5 | C6 | H12 | 47.4° | 60.0° |
H11 | C5 | C6 | H13 | 166.1° | 180.0° |
H12 | C6 | C7 | H14 | 175.8° | 180.0° |
H12 | C6 | C7 | H15 | 56.4° | 60.0° |
H13 | C6 | C7 | H14 | 65.5° | 60.0° |
H13 | C6 | C7 | H15 | 175.1° | 180.0° |
H17 | C11 | H18 | H19 | 119.9° | 120.0° |
H20 | C12 | H21 | H22 | 120.0° | 120.0° |
H23 | C13 | C14 | H25 | 164.1° | 179.9° |
H23 | C13 | C14 | H26 | 44.9° | 60.0° |
H24 | C13 | C14 | H25 | 78.8° | 60.1° |
H24 | C13 | C14 | H26 | 162.0° | 180.0° |
H25 | C14 | C15 | H27 | 106.8° | 180.0° |
H25 | C14 | C15 | H28 | 134.7° | 60.0° |
H26 | C14 | C15 | H27 | 12.4° | 60.0° |
H26 | C14 | C15 | H28 | 106.0° | 180.0° |
H27 | C15 | C16 | H29 | 166.4° | 179.9° |
H27 | C15 | C16 | H30 | 75.5° | 60.0° |
H28 | C15 | C16 | H29 | 48.0° | 60.0° |
H28 | C15 | C16 | H30 | 166.1° | 179.9° |
H29 | C16 | C17 | H31 | 42.0° | 180.0° |
H29 | C16 | C17 | H32 | 76.0° | 60.0° |
H30 | C16 | C17 | H31 | 160.0° | 60.0° |
H30 | C16 | C17 | H32 | 42.1° | 180.0° |
H34 | C20 | C21 | H35 | 0.6° | 0.0° |
H35 | C21 | C22 | H36 | 0.9° | 0.1° |
H37 | C24 | C25 | H38 | 160.8° | 179.9° |
H41 | C29 | O30 | H42 | 60.8° | 60.6° |
H41 | C29 | C31 | H43 | 59.8° | 57.2° |
H41 | C29 | C31 | H44 | 179.5° | 62.6° |
H43 | C31 | C32 | H45 | 63.0° | 173.9° |
H44 | C31 | C32 | H45 | 56.7° | 66.2° |
H45 | C32 | O33 | H46 | 60.8° | 60.1° |
H45 | C32 | C34 | H47 | 51.3° | 57.2° |
H45 | C32 | C34 | H48 | 67.7° | 177.7° |