3EV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | C10 | sing | 1.52Å | 1.50Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
O2 | C3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
O3 | C25 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.52Å | 1.51Å | |
C5 | C6 | doub | 1.35Å | 1.35Å | |
C5 | C10 | sing | 1.48Å | 1.47Å | |
C6 | C7 | sing | 1.47Å | 1.47Å | |
C7 | C8 | doub | 1.33Å | 1.35Å | |
C8 | C9 | sing | 1.52Å | 1.52Å | |
C8 | C14 | sing | 1.50Å | 1.51Å | |
C9 | C11 | sing | 1.53Å | 1.54Å | |
C10 | C19 | doub | 1.33Å | 1.33Å | |
C11 | C12 | sing | 1.54Å | 1.54Å | |
C12 | C13 | sing | 1.51Å | 1.53Å | |
C13 | C14 | sing | 1.55Å | 1.53Å | |
C13 | C17 | sing | 1.52Å | 1.53Å | |
C13 | C18 | sing | 1.53Å | 1.54Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.55Å | 1.54Å | |
C16 | C17 | sing | 1.54Å | 1.54Å | |
C17 | C20 | sing | 1.53Å | 1.56Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | C22 | sing | 1.53Å | 1.53Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C23 | C24 | sing | 1.53Å | 1.53Å | |
C24 | C25 | sing | 1.53Å | 1.53Å | |
C25 | C26 | sing | 1.53Å | 1.52Å | |
C25 | C27 | sing | 1.53Å | 1.52Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C18 | H18B | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C19 | H19A | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C21 | H21B | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H23A | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H24A | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C26 | H26B | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H27A | sing | 1.09Å | 1.10Å | |
C27 | H27B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.7° | 109.7° |
O1 | C1 | C10 | 111.3° | 109.7° |
O1 | C1 | H1 | 107.8° | 109.7° |
C1 | O1 | HO1 | 109.5° | 114.1° |
C2 | C1 | C10 | 108.6° | 108.4° |
C1 | C2 | C3 | 110.5° | 109.8° |
C2 | C1 | H1 | 110.6° | 109.7° |
C1 | C2 | H2 | 109.1° | 109.4° |
C1 | C2 | H2A | 109.1° | 109.4° |
C1 | C10 | C5 | 116.9° | 116.8° |
C1 | C10 | C19 | 120.9° | 121.6° |
C10 | C1 | H1 | 108.9° | 109.7° |
C2 | C3 | O2 | 109.5° | 109.4° |
C2 | C3 | C4 | 110.5° | 109.8° |
C3 | C2 | H2 | 109.2° | 109.5° |
C3 | C2 | H2A | 109.2° | 109.4° |
C2 | C3 | H3 | 109.4° | 109.4° |
O2 | C3 | C4 | 111.3° | 109.4° |
C3 | O2 | HO2 | 109.5° | 114.0° |
O2 | C3 | H3 | 108.6° | 109.4° |
C3 | C4 | C5 | 109.2° | 108.3° |
C4 | C3 | H3 | 107.5° | 109.4° |
C3 | C4 | H4 | 109.5° | 109.7° |
C3 | C4 | H4A | 109.5° | 109.7° |
O3 | C25 | C24 | 110.8° | 109.4° |
O3 | C25 | C26 | 107.7° | 109.4° |
O3 | C25 | C27 | 108.2° | 109.5° |
C25 | O3 | HO3 | 109.5° | 114.0° |
C4 | C5 | C6 | 119.2° | 121.6° |
C4 | C5 | C10 | 116.4° | 116.8° |
C5 | C4 | H4 | 109.5° | 109.7° |
C5 | C4 | H4A | 109.5° | 109.6° |
C6 | C5 | C10 | 124.4° | 121.6° |
C5 | C6 | C7 | 124.6° | 120.0° |
C5 | C6 | H6 | 117.7° | 120.0° |
C5 | C10 | C19 | 122.2° | 121.6° |
C6 | C7 | C8 | 125.6° | 120.0° |
C7 | C6 | H6 | 117.7° | 120.0° |
C6 | C7 | H7 | 117.2° | 119.9° |
C7 | C8 | C9 | 123.3° | 122.4° |
C7 | C8 | C14 | 122.2° | 122.4° |
C8 | C7 | H7 | 117.2° | 120.0° |
C9 | C8 | C14 | 114.4° | 115.2° |
C8 | C9 | C11 | 108.5° | 110.7° |
C8 | C9 | H9 | 109.8° | 109.2° |
C8 | C9 | H9A | 109.8° | 109.2° |
C8 | C14 | C13 | 110.6° | 105.8° |
C8 | C14 | C15 | 120.5° | 116.7° |
C8 | C14 | H14 | 99.5° | 110.7° |
C9 | C11 | C12 | 114.1° | 111.8° |
C11 | C9 | H9 | 109.8° | 109.2° |
C11 | C9 | H9A | 109.8° | 109.3° |
C9 | C11 | H11 | 108.0° | 109.1° |
C9 | C11 | H11A | 108.0° | 109.0° |
C10 | C19 | H19 | 120.0° | 120.0° |
C10 | C19 | H19A | 120.0° | 120.0° |
C11 | C12 | C13 | 112.1° | 107.6° |
C12 | C11 | H11 | 108.0° | 109.0° |
C12 | C11 | H11A | 108.0° | 109.0° |
C11 | C12 | H12 | 108.6° | 109.8° |
C11 | C12 | H12A | 108.6° | 109.8° |
C12 | C13 | C14 | 105.5° | 107.7° |
C12 | C13 | C17 | 115.4° | 118.3° |
C12 | C13 | C18 | 110.9° | 109.3° |
C13 | C12 | H12 | 108.6° | 109.9° |
C13 | C12 | H12A | 108.6° | 109.9° |
C14 | C13 | C17 | 97.8° | 103.2° |
C14 | C13 | C18 | 111.7° | 109.1° |
C13 | C14 | C15 | 105.9° | 101.1° |
C13 | C14 | H14 | 115.9° | 110.8° |
C17 | C13 | C18 | 114.5° | 108.8° |
C13 | C17 | C16 | 104.5° | 105.0° |
C13 | C17 | C20 | 119.9° | 110.3° |
C13 | C17 | H17 | 109.5° | 110.3° |
C13 | C18 | H18 | 109.5° | 109.5° |
C13 | C18 | H18A | 109.5° | 109.5° |
C13 | C18 | H18B | 109.5° | 109.5° |
C14 | C15 | C16 | 103.0° | 102.7° |
C15 | C14 | H14 | 104.8° | 111.2° |
C14 | C15 | H15 | 111.7° | 110.8° |
C14 | C15 | H15A | 111.7° | 110.7° |
C15 | C16 | C17 | 105.8° | 106.5° |
C16 | C15 | H15 | 111.7° | 110.8° |
C16 | C15 | H15A | 111.7° | 110.8° |
C15 | C16 | H16 | 110.7° | 110.1° |
C15 | C16 | H16A | 110.7° | 110.1° |
C16 | C17 | C20 | 118.1° | 109.8° |
C17 | C16 | H16 | 110.7° | 110.4° |
C17 | C16 | H16A | 110.7° | 109.7° |
C16 | C17 | H17 | 111.9° | 110.8° |
C17 | C20 | C21 | 111.2° | 109.4° |
C17 | C20 | C22 | 115.7° | 109.4° |
C20 | C17 | H17 | 92.3° | 110.4° |
C17 | C20 | H20 | 103.7° | 109.5° |
C21 | C20 | C22 | 109.3° | 109.5° |
C21 | C20 | H20 | 110.9° | 109.5° |
C20 | C21 | H21 | 109.5° | 109.5° |
C20 | C21 | H21A | 109.5° | 109.5° |
C20 | C21 | H21B | 109.5° | 109.4° |
C20 | C22 | C23 | 112.3° | 109.4° |
C22 | C20 | H20 | 105.8° | 109.5° |
C20 | C22 | H22 | 108.6° | 109.5° |
C20 | C22 | H22A | 108.5° | 109.5° |
C22 | C23 | C24 | 110.5° | 109.5° |
C23 | C22 | H22 | 108.5° | 109.4° |
C23 | C22 | H22A | 108.6° | 109.4° |
C22 | C23 | H23 | 109.1° | 109.5° |
C22 | C23 | H23A | 109.1° | 109.4° |
C23 | C24 | C25 | 115.2° | 109.5° |
C24 | C23 | H23 | 109.1° | 109.5° |
C24 | C23 | H23A | 109.1° | 109.5° |
C23 | C24 | H24 | 107.6° | 109.4° |
C23 | C24 | H24A | 107.6° | 109.4° |
C24 | C25 | C26 | 111.2° | 109.5° |
C24 | C25 | C27 | 108.9° | 109.5° |
C25 | C24 | H24 | 107.6° | 109.5° |
C25 | C24 | H24A | 107.6° | 109.5° |
C26 | C25 | C27 | 110.1° | 109.5° |
C25 | C26 | H26 | 109.5° | 109.5° |
C25 | C26 | H26A | 109.5° | 109.5° |
C25 | C26 | H26B | 109.5° | 109.5° |
C25 | C27 | H27 | 109.5° | 109.5° |
C25 | C27 | H27A | 109.5° | 109.5° |
C25 | C27 | H27B | 109.4° | 109.5° |
H2 | C2 | H2A | 109.8° | 109.3° |
H4 | C4 | H4A | 109.4° | 109.8° |
H9 | C9 | H9A | 109.1° | 109.2° |
H11 | C11 | H11A | 110.9° | 108.9° |
H12 | C12 | H12A | 110.3° | 109.9° |
H15 | C15 | H15A | 107.1° | 110.8° |
H16 | C16 | H16A | 108.3° | 110.1° |
H18 | C18 | H18A | 109.4° | 109.5° |
H18 | C18 | H18B | 109.5° | 109.4° |
H18A | C18 | H18B | 109.5° | 109.5° |
H19 | C19 | H19A | 120.0° | 120.1° |
H21 | C21 | H21A | 109.5° | 109.5° |
H21 | C21 | H21B | 109.5° | 109.5° |
H21A | C21 | H21B | 109.5° | 109.5° |
H22 | C22 | H22A | 110.4° | 109.5° |
H23 | C23 | H23A | 109.8° | 109.5° |
H24 | C24 | H24A | 111.3° | 109.4° |
H26 | C26 | H26A | 109.4° | 109.5° |
H26 | C26 | H26B | 109.5° | 109.4° |
H26A | C26 | H26B | 109.5° | 109.5° |
H27 | C27 | H27A | 109.4° | 109.5° |
H27 | C27 | H27B | 109.5° | 109.5° |
H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | C10 | 121.8° | 119.7° |
O1 | C1 | C2 | H1 | 118.8° | 120.5° |
O1 | C1 | C10 | H1 | 118.7° | 120.5° |
O1 | C1 | C2 | C3 | 178.8° | 177.4° |
O1 | C1 | C10 | C5 | 169.6° | 166.3° |
O1 | C1 | C10 | C19 | 8.5° | 13.6° |
O1 | C1 | C2 | H2 | 61.2° | 62.5° |
O1 | C1 | C2 | H2A | 58.8° | 57.3° |
C2 | C1 | C10 | H1 | 120.5° | 119.7° |
C1 | C2 | C3 | H2 | 120.0° | 120.1° |
C1 | C2 | C3 | H2A | 120.0° | 120.1° |
C1 | C2 | C3 | O2 | 174.4° | 173.7° |
C1 | C2 | C3 | C4 | 62.6° | 66.2° |
C2 | C1 | C10 | C5 | 48.8° | 46.6° |
C2 | C1 | C10 | C19 | 129.3° | 133.4° |
C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
C1 | C2 | H2 | H2A | 119.6° | 119.8° |
C1 | C2 | C3 | H3 | 55.6° | 53.9° |
C10 | C1 | C2 | C3 | 57.0° | 57.6° |
C1 | C10 | C5 | C4 | 45.3° | 43.1° |
C1 | C10 | C5 | C6 | 135.5° | 137.0° |
C1 | C10 | C5 | C19 | 178.1° | 179.9° |
C10 | C1 | O1 | HO1 | 59.8° | 61.1° |
C10 | C1 | C2 | H2 | 177.0° | 177.8° |
C10 | C1 | C2 | H2A | 63.0° | 62.5° |
C1 | C10 | C19 | H19 | 178.0° | 0.1° |
C1 | C10 | C19 | H19A | 2.0° | 180.0° |
C2 | C3 | O2 | C4 | 122.5° | 120.4° |
C2 | C3 | O2 | H3 | 119.4° | 119.8° |
C2 | C3 | C4 | H3 | 119.3° | 120.1° |
C2 | C3 | C4 | C5 | 54.6° | 57.7° |
C3 | C2 | C1 | H1 | 62.4° | 62.1° |
C3 | C2 | H2 | H2A | 119.6° | 119.8° |
C2 | C3 | O2 | HO2 | 180.0° | 180.0° |
C2 | C3 | C4 | H4 | 174.6° | 177.4° |
C2 | C3 | C4 | H4A | 65.4° | 62.0° |
O2 | C3 | C4 | H3 | 118.8° | 119.8° |
O2 | C3 | C4 | C5 | 176.5° | 177.8° |
O2 | C3 | C2 | H2 | 54.4° | 53.5° |
O2 | C3 | C2 | H2A | 65.6° | 66.2° |
O2 | C3 | C4 | H4 | 63.5° | 62.5° |
O2 | C3 | C4 | H4A | 56.5° | 58.1° |
C3 | C4 | C5 | H4 | 120.0° | 119.7° |
C3 | C4 | C5 | H4A | 120.0° | 119.7° |
C3 | C4 | C5 | C6 | 134.5° | 133.4° |
C3 | C4 | C5 | C10 | 46.1° | 46.6° |
C4 | C3 | C2 | H2 | 177.4° | 173.6° |
C4 | C3 | C2 | H2A | 57.4° | 53.9° |
C4 | C3 | O2 | HO2 | 57.5° | 59.6° |
C3 | C4 | H4 | H4A | 120.1° | 120.6° |
O3 | C25 | C24 | C23 | 65.5° | 60.0° |
O3 | C25 | C24 | C26 | 119.7° | 120.0° |
O3 | C25 | C24 | C27 | 118.8° | 120.0° |
O3 | C25 | C26 | C27 | 117.7° | 120.0° |
O3 | C25 | C24 | H24 | 174.5° | 180.0° |
O3 | C25 | C24 | H24A | 54.5° | 60.0° |
O3 | C25 | C26 | H26 | 180.0° | 60.0° |
O3 | C25 | C26 | H26A | 60.0° | 179.9° |
O3 | C25 | C26 | H26B | 60.0° | 60.0° |
O3 | C25 | C27 | H27 | 180.0° | 60.0° |
O3 | C25 | C27 | H27A | 60.0° | 180.0° |
O3 | C25 | C27 | H27B | 60.0° | 60.0° |
C4 | C5 | C6 | C10 | 179.3° | 180.0° |
C4 | C5 | C6 | C7 | 178.6° | 180.0° |
C4 | C5 | C10 | C19 | 132.8° | 136.9° |
C5 | C4 | C3 | H3 | 64.7° | 62.4° |
C5 | C4 | H4 | H4A | 120.1° | 120.5° |
C4 | C5 | C6 | H6 | 1.4° | 0.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 153.3° | 180.0° |
C6 | C5 | C10 | C19 | 46.5° | 43.1° |
C6 | C5 | C4 | H4 | 14.5° | 13.7° |
C6 | C5 | C4 | H4A | 105.5° | 106.9° |
C5 | C6 | C7 | H7 | 26.7° | 0.0° |
C10 | C5 | C6 | C7 | 2.1° | 0.0° |
C5 | C10 | C1 | H1 | 71.7° | 73.2° |
C10 | C5 | C4 | H4 | 166.1° | 166.3° |
C10 | C5 | C4 | H4A | 73.9° | 73.1° |
C10 | C5 | C6 | H6 | 177.9° | 180.0° |
C5 | C10 | C19 | H19 | 0.0° | 180.0° |
C5 | C10 | C19 | H19A | 180.0° | 0.1° |
C6 | C7 | C8 | H7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 3.1° | 0.0° |
C6 | C7 | C8 | C14 | 179.0° | 179.7° |
C7 | C8 | C9 | C14 | 178.0° | 179.7° |
C7 | C8 | C9 | C11 | 127.0° | 129.8° |
C7 | C8 | C14 | C13 | 116.3° | 121.9° |
C7 | C8 | C14 | C15 | 7.7° | 10.4° |
C8 | C7 | C6 | H6 | 26.7° | 0.0° |
C7 | C8 | C9 | H9 | 113.0° | 109.9° |
C7 | C8 | C9 | H9A | 6.9° | 9.4° |
C7 | C8 | C14 | H14 | 121.3° | 118.1° |
C8 | C9 | C11 | H9 | 120.0° | 120.3° |
C8 | C9 | C11 | H9A | 120.0° | 120.4° |
C8 | C9 | C11 | C12 | 47.1° | 48.5° |
C9 | C8 | C14 | C13 | 61.7° | 57.9° |
C9 | C8 | C14 | C15 | 174.2° | 169.4° |
C9 | C8 | C7 | H7 | 176.9° | 180.0° |
C8 | C9 | H9 | H9A | 120.4° | 119.4° |
C8 | C9 | C11 | H11 | 167.1° | 169.2° |
C8 | C9 | C11 | H11A | 72.9° | 72.0° |
C9 | C8 | C14 | H14 | 60.7° | 62.2° |
C14 | C8 | C9 | C11 | 51.1° | 49.9° |
C8 | C14 | C13 | C12 | 62.2° | 66.3° |
C8 | C14 | C13 | C15 | 132.1° | 122.1° |
C8 | C14 | C13 | H14 | 112.2° | 120.0° |
C8 | C14 | C13 | C17 | 178.7° | 167.8° |
C8 | C14 | C13 | C18 | 58.4° | 52.2° |
C8 | C14 | C15 | H14 | 110.7° | 128.2° |
C8 | C14 | C15 | C16 | 157.6° | 156.2° |
C14 | C8 | C7 | H7 | 1.0° | 0.3° |
C14 | C8 | C9 | H9 | 68.9° | 70.4° |
C14 | C8 | C9 | H9A | 171.1° | 170.3° |
C8 | C14 | C15 | H15 | 37.5° | 37.9° |
C8 | C14 | C15 | H15A | 82.4° | 85.5° |
C9 | C11 | C12 | H11 | 120.0° | 120.7° |
C9 | C11 | C12 | H11A | 120.0° | 120.5° |
C9 | C11 | C12 | C13 | 54.4° | 59.0° |
C11 | C9 | H9 | H9A | 120.4° | 119.4° |
C9 | C11 | H11 | H11A | 118.1° | 118.8° |
C9 | C11 | C12 | H12 | 65.6° | 60.5° |
C9 | C11 | C12 | H12A | 174.4° | 178.6° |
C19 | C10 | C1 | H1 | 110.2° | 106.9° |
C10 | C19 | H19 | H19A | 180.0° | 179.9° |
C11 | C12 | C13 | H12 | 120.0° | 119.5° |
C11 | C12 | C13 | H12A | 120.0° | 119.5° |
C11 | C12 | C13 | C14 | 59.2° | 67.9° |
C11 | C12 | C13 | C17 | 165.9° | 175.6° |
C11 | C12 | C13 | C18 | 61.9° | 50.4° |
C12 | C11 | C9 | H9 | 72.9° | 71.8° |
C12 | C11 | C9 | H9A | 167.1° | 168.9° |
C12 | C11 | H11 | H11A | 118.1° | 118.9° |
C11 | C12 | H12 | H12A | 118.9° | 120.9° |
C12 | C13 | C14 | C17 | 119.1° | 125.9° |
C12 | C13 | C14 | C18 | 120.6° | 118.5° |
C12 | C13 | C17 | C18 | 130.5° | 125.4° |
C12 | C13 | C14 | C15 | 165.7° | 171.6° |
C12 | C13 | C17 | C16 | 155.1° | 149.5° |
C12 | C13 | C17 | C20 | 69.7° | 92.2° |
C13 | C12 | C11 | H11 | 174.4° | 179.7° |
C13 | C12 | C11 | H11A | 65.6° | 61.5° |
C13 | C12 | H12 | H12A | 118.9° | 121.0° |
C12 | C13 | C14 | H14 | 50.0° | 53.7° |
C12 | C13 | C17 | H17 | 35.0° | 30.1° |
C12 | C13 | C18 | H18 | 180.0° | 66.1° |
C12 | C13 | C18 | H18A | 60.0° | 173.9° |
C12 | C13 | C18 | H18B | 60.0° | 53.8° |
C14 | C13 | C17 | C18 | 118.2° | 115.8° |
C13 | C14 | C15 | H14 | 123.0° | 117.7° |
C13 | C14 | C15 | C16 | 31.3° | 42.1° |
C14 | C13 | C17 | C16 | 43.8° | 30.7° |
C14 | C13 | C17 | C20 | 179.0° | 149.0° |
C14 | C13 | C12 | H12 | 60.8° | 51.5° |
C14 | C13 | C12 | H12A | 179.2° | 172.5° |
C13 | C14 | C15 | H15 | 88.8° | 76.2° |
C13 | C14 | C15 | H15A | 151.3° | 160.4° |
C14 | C13 | C17 | H17 | 76.2° | 88.7° |
C14 | C13 | C18 | H18 | 62.7° | 51.4° |
C14 | C13 | C18 | H18A | 177.4° | 68.6° |
C14 | C13 | C18 | H18B | 57.4° | 171.3° |
C17 | C13 | C14 | C15 | 46.6° | 45.7° |
C13 | C17 | C16 | C15 | 26.3° | 4.4° |
C13 | C17 | C16 | C20 | 136.3° | 118.6° |
C13 | C17 | C16 | H17 | 118.5° | 119.1° |
C13 | C17 | C20 | H17 | 114.2° | 122.2° |
C13 | C17 | C20 | C21 | 152.4° | 65.8° |
C13 | C17 | C20 | C22 | 82.2° | 174.2° |
C17 | C13 | C12 | H12 | 45.9° | 64.9° |
C17 | C13 | C12 | H12A | 74.1° | 56.1° |
C17 | C13 | C14 | H14 | 69.1° | 72.3° |
C13 | C17 | C16 | H16 | 93.7° | 115.0° |
C13 | C17 | C16 | H16A | 146.3° | 123.5° |
C17 | C13 | C18 | H18 | 47.3° | 163.3° |
C17 | C13 | C18 | H18A | 72.7° | 43.3° |
C17 | C13 | C18 | H18B | 167.3° | 76.7° |
C13 | C17 | C20 | H20 | 33.2° | 54.2° |
C18 | C13 | C14 | C15 | 73.7° | 69.9° |
C18 | C13 | C17 | C16 | 74.4° | 85.1° |
C18 | C13 | C17 | C20 | 60.8° | 33.2° |
C18 | C13 | C12 | H12 | 178.1° | 169.9° |
C18 | C13 | C12 | H12A | 58.1° | 69.1° |
C18 | C13 | C14 | H14 | 170.6° | 172.2° |
C18 | C13 | C17 | H17 | 165.6° | 155.5° |
C13 | C18 | H18 | H18A | 120.0° | 120.0° |
C13 | C18 | H18 | H18B | 120.0° | 120.0° |
C13 | C18 | H18A | H18B | 120.0° | 120.0° |
C14 | C15 | C16 | H15 | 120.0° | 118.3° |
C14 | C15 | C16 | H15A | 120.0° | 118.3° |
C14 | C15 | C16 | C17 | 2.7° | 23.8° |
C14 | C15 | H15 | H15A | 122.6° | 123.3° |
C14 | C15 | C16 | H16 | 122.7° | 143.4° |
C14 | C15 | C16 | H16A | 117.3° | 95.1° |
C15 | C16 | C17 | H16 | 120.0° | 119.5° |
C15 | C16 | C17 | H16A | 120.0° | 119.1° |
C15 | C16 | C17 | C20 | 162.6° | 123.1° |
C16 | C15 | C14 | H14 | 91.8° | 75.6° |
C16 | C15 | H15 | H15A | 122.6° | 123.4° |
C15 | C16 | H16 | H16A | 121.5° | 121.6° |
C15 | C16 | C17 | H17 | 92.2° | 114.7° |
C16 | C17 | C20 | H17 | 116.4° | 122.5° |
C16 | C17 | C20 | C21 | 78.2° | 178.9° |
C16 | C17 | C20 | C22 | 47.2° | 58.9° |
C17 | C16 | C15 | H15 | 117.3° | 94.6° |
C17 | C16 | C15 | H15A | 122.7° | 142.0° |
C17 | C16 | H16 | H16A | 121.5° | 121.2° |
C16 | C17 | C20 | H20 | 162.6° | 61.1° |
C17 | C20 | C21 | C22 | 128.9° | 119.9° |
C17 | C20 | C21 | H20 | 114.8° | 120.0° |
C17 | C20 | C22 | H20 | 114.2° | 120.0° |
C17 | C20 | C22 | C23 | 155.1° | 175.0° |
C20 | C17 | C16 | H16 | 42.6° | 3.6° |
C20 | C17 | C16 | H16A | 77.5° | 117.8° |
C17 | C20 | C21 | H21 | 180.0° | 56.2° |
C17 | C20 | C21 | H21A | 60.0° | 63.8° |
C17 | C20 | C21 | H21B | 60.0° | 176.2° |
C17 | C20 | C22 | H22 | 35.1° | 55.1° |
C17 | C20 | C22 | H22A | 84.9° | 65.0° |
C21 | C20 | C22 | H20 | 119.5° | 120.1° |
C21 | C20 | C22 | C23 | 78.5° | 65.0° |
C21 | C20 | C17 | H17 | 38.2° | 56.4° |
C20 | C21 | H21 | H21A | 120.0° | 120.0° |
C20 | C21 | H21 | H21B | 120.0° | 120.0° |
C20 | C21 | H21A | H21B | 120.0° | 120.0° |
C21 | C20 | C22 | H22 | 161.5° | 175.0° |
C21 | C20 | C22 | H22A | 41.5° | 54.9° |
C20 | C22 | C23 | H22 | 120.0° | 120.0° |
C20 | C22 | C23 | H22A | 120.0° | 120.0° |
C20 | C22 | C23 | C24 | 171.6° | 180.0° |
C22 | C20 | C17 | H17 | 163.6° | 63.6° |
C22 | C20 | C21 | H21 | 51.1° | 63.7° |
C22 | C20 | C21 | H21A | 68.9° | 176.3° |
C22 | C20 | C21 | H21B | 171.1° | 56.3° |
C20 | C22 | H22 | H22A | 118.8° | 120.1° |
C20 | C22 | C23 | H23 | 68.4° | 60.0° |
C20 | C22 | C23 | H23A | 51.6° | 60.0° |
C22 | C23 | C24 | H23 | 120.0° | 120.0° |
C22 | C23 | C24 | H23A | 120.0° | 120.0° |
C22 | C23 | C24 | C25 | 164.7° | 180.0° |
C23 | C22 | C20 | H20 | 40.9° | 55.0° |
C23 | C22 | H22 | H22A | 118.8° | 119.9° |
C22 | C23 | H23 | H23A | 119.6° | 120.0° |
C22 | C23 | C24 | H24 | 75.3° | 59.9° |
C22 | C23 | C24 | H24A | 44.7° | 60.0° |
C23 | C24 | C25 | H24 | 120.0° | 120.0° |
C23 | C24 | C25 | H24A | 120.0° | 120.0° |
C23 | C24 | C25 | C26 | 54.2° | 180.0° |
C23 | C24 | C25 | C27 | 175.7° | 60.0° |
C24 | C23 | C22 | H22 | 51.6° | 59.9° |
C24 | C23 | C22 | H22A | 68.4° | 60.0° |
C24 | C23 | H23 | H23A | 119.6° | 120.0° |
C23 | C24 | H24 | H24A | 117.6° | 119.9° |
C24 | C25 | C26 | C27 | 120.8° | 120.1° |
C24 | C25 | O3 | HO3 | 180.0° | 60.0° |
C25 | C24 | C23 | H23 | 44.7° | 60.0° |
C25 | C24 | C23 | H23A | 75.3° | 60.0° |
C25 | C24 | H24 | H24A | 117.6° | 120.1° |
C24 | C25 | C26 | H26 | 58.5° | 180.0° |
C24 | C25 | C26 | H26A | 178.5° | 60.0° |
C24 | C25 | C26 | H26B | 61.5° | 60.0° |
C24 | C25 | C27 | H27 | 59.6° | 60.0° |
C24 | C25 | C27 | H27A | 60.4° | 60.0° |
C24 | C25 | C27 | H27B | 179.5° | 180.0° |
C26 | C25 | O3 | HO3 | 58.2° | 60.0° |
C26 | C25 | C24 | H24 | 65.8° | 60.0° |
C26 | C25 | C24 | H24A | 174.2° | 60.0° |
C25 | C26 | H26 | H26A | 120.0° | 120.0° |
C25 | C26 | H26 | H26B | 120.0° | 120.0° |
C25 | C26 | H26A | H26B | 120.0° | 120.0° |
C26 | C25 | C27 | H27 | 62.6° | 180.0° |
C26 | C25 | C27 | H27A | 177.4° | 60.0° |
C26 | C25 | C27 | H27B | 57.4° | 60.0° |
C27 | C25 | O3 | HO3 | 60.8° | 180.0° |
C27 | C25 | C24 | H24 | 55.7° | 60.0° |
C27 | C25 | C24 | H24A | 64.3° | 180.0° |
C27 | C25 | C26 | H26 | 62.3° | 60.0° |
C27 | C25 | C26 | H26A | 57.7° | 60.1° |
C27 | C25 | C26 | H26B | 177.7° | 179.9° |
C25 | C27 | H27 | H27A | 120.0° | 120.0° |
C25 | C27 | H27 | H27B | 120.0° | 120.0° |
C25 | C27 | H27A | H27B | 120.0° | 120.0° |
H1 | C1 | O1 | HO1 | 59.5° | 59.4° |
H1 | C1 | C2 | H2 | 57.6° | 58.1° |
H1 | C1 | C2 | H2A | 177.6° | 177.8° |
H2 | C2 | C3 | H3 | 64.5° | 66.3° |
H2A | C2 | C3 | H3 | 175.6° | 173.9° |
HO2 | O2 | C3 | H3 | 60.6° | 60.2° |
H3 | C3 | C4 | H4 | 55.3° | 57.3° |
H3 | C3 | C4 | H4A | 175.3° | 177.9° |
H6 | C6 | C7 | H7 | 153.3° | 179.9° |
H9 | C9 | C11 | H11 | 47.1° | 48.9° |
H9 | C9 | C11 | H11A | 167.1° | 167.7° |
H9A | C9 | C11 | H11 | 73.0° | 70.5° |
H9A | C9 | C11 | H11A | 47.1° | 48.3° |
H11 | C11 | C12 | H12 | 54.4° | 60.1° |
H11 | C11 | C12 | H12A | 65.6° | 60.8° |
H11A | C11 | C12 | H12 | 174.4° | 178.9° |
H11A | C11 | C12 | H12A | 54.4° | 58.0° |
H14 | C14 | C15 | H15 | 148.2° | 166.1° |
H14 | C14 | C15 | H15A | 28.2° | 42.7° |
H15 | C15 | C16 | H16 | 2.7° | 25.1° |
H15 | C15 | C16 | H16A | 122.7° | 146.6° |
H15A | C15 | C16 | H16 | 117.3° | 98.4° |
H15A | C15 | C16 | H16A | 2.7° | 23.2° |
H16 | C16 | C17 | H17 | 147.9° | 125.9° |
H16A | C16 | C17 | H17 | 27.8° | 4.5° |
H17 | C17 | C20 | H20 | 81.0° | 176.4° |
H18 | C18 | H18A | H18B | 120.0° | 120.0° |
H20 | C20 | C21 | H21 | 65.2° | 176.2° |
H20 | C20 | C21 | H21A | 174.8° | 56.2° |
H20 | C20 | C21 | H21B | 54.8° | 63.8° |
H20 | C20 | C22 | H22 | 79.1° | 64.9° |
H20 | C20 | C22 | H22A | 161.0° | 175.0° |
H21 | C21 | H21A | H21B | 120.0° | 120.0° |
H22 | C22 | C23 | H23 | 171.5° | 180.0° |
H22 | C22 | C23 | H23A | 68.4° | 60.0° |
H22A | C22 | C23 | H23 | 51.6° | 60.0° |
H22A | C22 | C23 | H23A | 171.6° | NaN° |
H23 | C23 | C24 | H24 | 164.7° | 180.0° |
H23 | C23 | C24 | H24A | 75.3° | 60.0° |
H23A | C23 | C24 | H24 | 44.7° | 60.0° |
H23A | C23 | C24 | H24A | 164.6° | 179.9° |
H26 | C26 | H26A | H26B | 120.0° | 119.9° |
H27 | C27 | H27A | H27B | 120.0° | 120.0° |