FEZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C5 | sing | 1.42Å | 1.43Å | |
C6 | C5 | sing | 1.50Å | 1.51Å | |
C6 | C7 | doub | 1.28Å | 1.31Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C5 | C21 | sing | 1.55Å | 1.52Å | |
C4 | C3 | sing | 1.52Å | 1.51Å | |
C7 | C8 | sing | 1.49Å | 1.48Å | |
C10 | C1 | sing | 1.51Å | 1.49Å | |
C10 | C9 | sing | 1.52Å | 1.49Å | |
C1 | C2 | doub | 1.31Å | 1.36Å | |
C1 | C | sing | 1.51Å | 1.48Å | |
C8 | C9 | sing | 1.52Å | 1.47Å | |
C8 | C18 | sing | 1.52Å | 1.51Å | |
C3 | C2 | sing | 1.51Å | 1.49Å | |
C9 | O | sing | 1.45Å | 1.39Å | |
C20 | C18 | sing | 1.53Å | 1.52Å | |
C18 | C19 | sing | 1.53Å | 1.52Å | |
O | C11 | sing | 1.35Å | 1.47Å | |
C11 | O1 | doub | 1.21Å | 1.20Å | |
C11 | C12 | sing | 1.47Å | 1.51Å | |
C13 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C12 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
C15 | O2 | sing | 1.36Å | 1.37Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.10Å | 1.10Å | |
C6 | H3 | sing | 1.11Å | 1.08Å | |
C3 | H4 | sing | 1.10Å | 1.10Å | |
C3 | H5 | sing | 1.08Å | 1.10Å | |
C2 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.10Å | 1.10Å | |
C10 | H8 | sing | 1.08Å | 1.10Å | |
C7 | H9 | sing | 1.12Å | 1.08Å | |
C8 | H10 | sing | 1.12Å | 1.10Å | |
C9 | H11 | sing | 1.11Å | 1.10Å | |
O2 | H12 | sing | 0.97Å | 0.95Å | |
O3 | H13 | sing | 0.97Å | 0.95Å | |
C17 | H14 | sing | 1.08Å | 1.08Å | |
C16 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H16 | sing | 1.08Å | 1.08Å | |
C13 | H17 | sing | 1.08Å | 1.08Å | |
C | H18 | sing | 1.09Å | 1.10Å | |
C | H19 | sing | 1.09Å | 1.10Å | |
C | H20 | sing | 1.09Å | 1.10Å | |
C18 | H21 | sing | 1.09Å | 1.10Å | |
C20 | H22 | sing | 1.09Å | 1.10Å | |
C20 | H23 | sing | 1.09Å | 1.10Å | |
C20 | H24 | sing | 1.09Å | 1.10Å | |
C19 | H25 | sing | 1.09Å | 1.10Å | |
C19 | H26 | sing | 1.09Å | 1.10Å | |
C19 | H27 | sing | 1.09Å | 1.10Å | |
C21 | H28 | sing | 1.09Å | 1.10Å | |
C21 | H29 | sing | 1.09Å | 1.10Å | |
C21 | H30 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C5 | C6 | 105.6° | 111.8° |
O3 | C5 | C4 | 101.6° | 112.4° |
O3 | C5 | C21 | 110.1° | 107.4° |
C5 | O3 | H13 | 109.5° | 114.0° |
C5 | C6 | C7 | 124.3° | 131.0° |
C6 | C5 | C4 | 115.4° | 110.1° |
C6 | C5 | C21 | 110.3° | 107.6° |
C5 | C6 | H3 | 117.8° | 114.6° |
C6 | C7 | C8 | 120.6° | 132.3° |
C7 | C6 | H3 | 117.9° | 114.4° |
C6 | C7 | H9 | 119.7° | 113.4° |
C4 | C5 | C21 | 113.0° | 107.4° |
C5 | C4 | C3 | 116.6° | 112.7° |
C5 | C4 | H1 | 107.7° | 110.0° |
C5 | C4 | H2 | 107.7° | 108.2° |
C5 | C21 | H28 | 109.5° | 109.4° |
C5 | C21 | H29 | 109.5° | 109.4° |
C5 | C21 | H30 | 109.5° | 109.5° |
C4 | C3 | C2 | 101.5° | 109.6° |
C3 | C4 | H1 | 107.7° | 110.1° |
C3 | C4 | H2 | 107.7° | 108.4° |
C4 | C3 | H4 | 111.4° | 108.8° |
C4 | C3 | H5 | 111.4° | 112.4° |
C7 | C8 | C9 | 103.7° | 113.4° |
C7 | C8 | C18 | 116.3° | 113.1° |
C8 | C7 | H9 | 119.7° | 114.3° |
C7 | C8 | H10 | 108.7° | 105.6° |
C1 | C10 | C9 | 107.0° | 110.1° |
C10 | C1 | C2 | 131.0° | 120.3° |
C10 | C1 | C | 112.7° | 119.8° |
C1 | C10 | H7 | 110.1° | 108.2° |
C1 | C10 | H8 | 110.1° | 108.6° |
C10 | C9 | C8 | 103.4° | 113.1° |
C10 | C9 | O | 115.4° | 110.7° |
C9 | C10 | H7 | 110.1° | 109.3° |
C9 | C10 | H8 | 110.1° | 111.8° |
C10 | C9 | H11 | 111.0° | 107.7° |
C2 | C1 | C | 116.2° | 119.9° |
C1 | C2 | C3 | 129.0° | 120.8° |
C1 | C2 | H6 | 115.5° | 119.6° |
C1 | C | H18 | 109.5° | 109.5° |
C1 | C | H19 | 109.5° | 109.4° |
C1 | C | H20 | 109.5° | 109.5° |
C9 | C8 | C18 | 110.7° | 113.2° |
C8 | C9 | O | 102.2° | 110.1° |
C9 | C8 | H10 | 108.8° | 105.4° |
C8 | C9 | H11 | 111.4° | 107.8° |
C8 | C18 | C20 | 112.0° | 109.5° |
C8 | C18 | C19 | 108.8° | 109.5° |
C18 | C8 | H10 | 108.3° | 105.2° |
C8 | C18 | H21 | 107.9° | 109.5° |
C2 | C3 | H4 | 111.4° | 108.2° |
C2 | C3 | H5 | 111.4° | 109.7° |
C3 | C2 | H6 | 115.5° | 119.6° |
C9 | O | C11 | 125.2° | 117.0° |
O | C9 | H11 | 112.6° | 107.1° |
C20 | C18 | C19 | 112.4° | 109.4° |
C20 | C18 | H21 | 107.7° | 109.5° |
C18 | C20 | H22 | 109.5° | 109.5° |
C18 | C20 | H23 | 109.4° | 109.5° |
C18 | C20 | H24 | 109.5° | 109.4° |
C19 | C18 | H21 | 107.8° | 109.4° |
C18 | C19 | H25 | 109.5° | 109.5° |
C18 | C19 | H26 | 109.5° | 109.5° |
C18 | C19 | H27 | 109.5° | 109.5° |
O | C11 | O1 | 114.5° | 120.0° |
O | C11 | C12 | 128.5° | 120.0° |
O1 | C11 | C12 | 116.3° | 120.0° |
C11 | C12 | C13 | 120.5° | 120.1° |
C11 | C12 | C17 | 121.1° | 120.1° |
C12 | C13 | C14 | 119.8° | 119.9° |
C13 | C12 | C17 | 118.3° | 119.8° |
C12 | C13 | H17 | 120.1° | 120.1° |
C13 | C14 | C15 | 122.0° | 120.1° |
C13 | C14 | H16 | 119.0° | 120.0° |
C14 | C13 | H17 | 120.1° | 120.0° |
C12 | C17 | C16 | 122.7° | 119.9° |
C12 | C17 | H14 | 118.7° | 120.1° |
C14 | C15 | C16 | 120.2° | 120.2° |
C14 | C15 | O2 | 117.2° | 119.9° |
C15 | C14 | H16 | 119.0° | 119.9° |
C17 | C16 | C15 | 116.9° | 120.1° |
C16 | C17 | H14 | 118.6° | 120.0° |
C17 | C16 | H15 | 121.6° | 119.9° |
C16 | C15 | O2 | 122.7° | 119.9° |
C15 | C16 | H15 | 121.6° | 120.0° |
C15 | O2 | H12 | 109.5° | 114.0° |
H1 | C4 | H2 | 109.4° | 107.1° |
H4 | C3 | H5 | 109.5° | 108.1° |
H7 | C10 | H8 | 109.5° | 108.7° |
H18 | C | H19 | 109.5° | 109.5° |
H18 | C | H20 | 109.4° | 109.5° |
H19 | C | H20 | 109.5° | 109.5° |
H22 | C20 | H23 | 109.5° | 109.5° |
H22 | C20 | H24 | 109.4° | 109.5° |
H23 | C20 | H24 | 109.5° | 109.5° |
H25 | C19 | H26 | 109.5° | 109.4° |
H25 | C19 | H27 | 109.5° | 109.4° |
H26 | C19 | H27 | 109.5° | 109.5° |
H28 | C21 | H29 | 109.4° | 109.5° |
H28 | C21 | H30 | 109.5° | 109.5° |
H29 | C21 | H30 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C5 | C6 | C4 | 111.4° | 125.6° |
O3 | C5 | C6 | C21 | 118.9° | 117.6° |
O3 | C5 | C6 | C7 | 173.5° | 42.2° |
O3 | C5 | C4 | C21 | 117.9° | 117.8° |
O3 | C5 | C4 | C3 | 147.3° | 12.1° |
O3 | C5 | C4 | H1 | 26.2° | 111.3° |
O3 | C5 | C4 | H2 | 91.7° | 132.0° |
O3 | C5 | C6 | H3 | 6.5° | 137.9° |
O3 | C5 | C21 | H28 | 180.0° | 178.9° |
O3 | C5 | C21 | H29 | 60.0° | 58.9° |
O3 | C5 | C21 | H30 | 60.0° | 61.0° |
C5 | C6 | C7 | H3 | 180.0° | 179.9° |
C6 | C5 | C4 | C21 | 128.3° | 116.9° |
C6 | C5 | C4 | C3 | 99.0° | 137.4° |
C5 | C6 | C7 | C8 | 1.4° | 0.5° |
C6 | C5 | C4 | H1 | 140.0° | 14.0° |
C6 | C5 | C4 | H2 | 22.1° | 102.7° |
C5 | C6 | C7 | H9 | 178.7° | 179.6° |
C6 | C5 | O3 | H13 | 180.0° | 55.6° |
C6 | C5 | C21 | H28 | 63.8° | 58.5° |
C6 | C5 | C21 | H29 | 56.2° | 61.5° |
C6 | C5 | C21 | H30 | 176.2° | 178.5° |
C7 | C6 | C5 | C4 | 62.1° | 83.4° |
C7 | C6 | C5 | C21 | 67.6° | 159.8° |
C6 | C7 | C8 | H9 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 125.7° | 67.1° |
C6 | C7 | C8 | C18 | 112.5° | 63.5° |
C6 | C7 | C8 | H10 | 10.0° | 178.0° |
C5 | C4 | C3 | H1 | 121.1° | 123.2° |
C5 | C4 | C3 | H2 | 121.0° | 119.8° |
C5 | C4 | C3 | C2 | 136.7° | 130.9° |
C5 | C4 | H1 | H2 | 116.8° | 117.4° |
C4 | C5 | C6 | H3 | 117.9° | 96.4° |
C5 | C4 | C3 | H4 | 18.0° | 111.0° |
C5 | C4 | C3 | H5 | 104.6° | 8.7° |
C4 | C5 | O3 | H13 | 59.1° | 180.0° |
C4 | C5 | C21 | H28 | 67.1° | 60.1° |
C4 | C5 | C21 | H29 | 172.9° | 180.0° |
C4 | C5 | C21 | H30 | 52.9° | 60.0° |
C21 | C5 | C4 | C3 | 29.3° | 105.8° |
C21 | C5 | C4 | H1 | 91.7° | 130.9° |
C21 | C5 | C4 | H2 | 150.4° | 14.2° |
C21 | C5 | C6 | H3 | 112.4° | 20.3° |
C21 | C5 | O3 | H13 | 60.9° | 62.2° |
C5 | C21 | H28 | H29 | 120.0° | 120.0° |
C5 | C21 | H28 | H30 | 120.0° | 120.0° |
C5 | C21 | H29 | H30 | 120.0° | 120.0° |
C4 | C3 | C2 | C1 | 54.2° | 78.1° |
C4 | C3 | C2 | H4 | 118.7° | 118.5° |
C4 | C3 | C2 | H5 | 118.7° | 123.8° |
C3 | C4 | H1 | H2 | 116.8° | 117.7° |
C4 | C3 | H4 | H5 | 123.7° | 122.3° |
C4 | C3 | C2 | H6 | 125.8° | 101.9° |
C7 | C8 | C9 | C10 | 60.4° | 102.1° |
C7 | C8 | C9 | C18 | 125.4° | 130.6° |
C7 | C8 | C9 | H10 | 115.6° | 115.1° |
C7 | C8 | C18 | H10 | 122.7° | 114.8° |
C7 | C8 | C9 | O | 179.4° | 22.4° |
C7 | C8 | C18 | C20 | 17.3° | 52.8° |
C7 | C8 | C18 | C19 | 142.2° | 172.8° |
C8 | C7 | C6 | H3 | 178.6° | 179.6° |
C7 | C8 | C9 | H11 | 58.9° | 138.9° |
C7 | C8 | C18 | H21 | 101.1° | 67.3° |
C1 | C10 | C9 | H7 | 119.6° | 118.8° |
C1 | C10 | C9 | H8 | 119.6° | 120.8° |
C10 | C1 | C2 | C | 177.0° | 179.8° |
C1 | C10 | C9 | C8 | 89.0° | 149.9° |
C10 | C1 | C2 | C3 | 4.1° | 0.0° |
C1 | C10 | C9 | O | 21.8° | 25.8° |
C10 | C1 | C2 | H6 | 175.9° | 180.0° |
C1 | C10 | H7 | H8 | 121.1° | 117.8° |
C1 | C10 | C9 | H11 | 151.5° | 91.0° |
C10 | C1 | C | H18 | 180.0° | 175.3° |
C10 | C1 | C | H19 | 60.0° | 64.7° |
C10 | C1 | C | H20 | 60.0° | 55.3° |
C9 | C10 | C1 | C2 | 69.3° | 107.8° |
C9 | C10 | C1 | C | 107.7° | 72.5° |
C10 | C9 | C8 | O | 120.2° | 124.4° |
C10 | C9 | C8 | H11 | 119.3° | 119.0° |
C10 | C9 | C8 | C18 | 174.2° | 28.5° |
C10 | C9 | O | H11 | 128.9° | 117.2° |
C10 | C9 | O | C11 | 84.2° | 153.9° |
C9 | C10 | H7 | H8 | 121.1° | 122.3° |
C10 | C9 | C8 | H10 | 55.2° | 142.9° |
C1 | C2 | C3 | H6 | 180.0° | 180.0° |
C1 | C2 | C3 | H4 | 64.5° | 163.4° |
C1 | C2 | C3 | H5 | 172.8° | 45.7° |
C2 | C1 | C10 | H7 | 171.1° | 132.8° |
C2 | C1 | C10 | H8 | 50.3° | 15.0° |
C2 | C1 | C | H18 | 2.5° | 4.9° |
C2 | C1 | C | H19 | 122.5° | 115.0° |
C2 | C1 | C | H20 | 117.5° | 125.0° |
C | C1 | C2 | C3 | 178.9° | 179.7° |
C | C1 | C2 | H6 | 1.0° | 0.2° |
C | C1 | C10 | H7 | 11.9° | 46.9° |
C | C1 | C10 | H8 | 132.7° | 164.8° |
C1 | C | H18 | H19 | 120.0° | 119.9° |
C1 | C | H18 | H20 | 120.0° | 120.0° |
C1 | C | H19 | H20 | 120.0° | 120.0° |
C9 | C8 | C18 | H10 | 119.3° | 114.5° |
C8 | C9 | O | H11 | 119.6° | 117.0° |
C9 | C8 | C18 | C20 | 135.3° | 176.5° |
C9 | C8 | C18 | C19 | 99.8° | 56.5° |
C8 | C9 | O | C11 | 164.3° | 80.3° |
C8 | C9 | C10 | H7 | 151.4° | 91.4° |
C8 | C9 | C10 | H8 | 30.6° | 29.0° |
C9 | C8 | C7 | H9 | 54.3° | 113.0° |
C9 | C8 | C18 | H21 | 16.9° | 63.5° |
C18 | C8 | C9 | O | 54.0° | 152.9° |
C8 | C18 | C20 | C19 | 122.9° | 120.0° |
C8 | C18 | C20 | H21 | 118.5° | 120.1° |
C8 | C18 | C19 | H21 | 116.7° | 120.0° |
C18 | C8 | C7 | H9 | 67.5° | 116.4° |
C18 | C8 | C9 | H11 | 66.5° | 90.5° |
C8 | C18 | C20 | H22 | 180.0° | 60.0° |
C8 | C18 | C20 | H23 | 60.0° | 180.0° |
C8 | C18 | C20 | H24 | 60.0° | 60.0° |
C8 | C18 | C19 | H25 | 180.0° | 65.7° |
C8 | C18 | C19 | H26 | 60.0° | 174.3° |
C8 | C18 | C19 | H27 | 60.0° | 54.2° |
C2 | C3 | C4 | H1 | 102.3° | 7.7° |
C2 | C3 | C4 | H2 | 15.6° | 109.2° |
C2 | C3 | H4 | H5 | 123.7° | 118.7° |
C9 | O | C11 | O1 | 120.1° | 5.1° |
C9 | O | C11 | C12 | 70.4° | 174.8° |
O | C9 | C10 | H7 | 97.8° | 144.5° |
O | C9 | C10 | H8 | 141.4° | 95.0° |
O | C9 | C8 | H10 | 65.0° | 92.7° |
C20 | C18 | C19 | H21 | 118.6° | 119.9° |
C20 | C18 | C8 | H10 | 105.4° | 62.0° |
C18 | C20 | H22 | H23 | 120.0° | 120.0° |
C18 | C20 | H22 | H24 | 120.0° | 119.9° |
C18 | C20 | H23 | H24 | 120.0° | 120.0° |
C20 | C18 | C19 | H25 | 55.3° | 174.3° |
C20 | C18 | C19 | H26 | 64.7° | 54.3° |
C20 | C18 | C19 | H27 | 175.3° | 65.8° |
C19 | C18 | C8 | H10 | 19.5° | 58.0° |
C19 | C18 | C20 | H22 | 57.1° | 60.0° |
C19 | C18 | C20 | H23 | 177.2° | 60.0° |
C19 | C18 | C20 | H24 | 62.9° | 180.0° |
C18 | C19 | H25 | H26 | 120.0° | 120.0° |
C18 | C19 | H25 | H27 | 120.0° | 120.0° |
C18 | C19 | H26 | H27 | 120.0° | 120.0° |
O | C11 | O1 | C12 | 170.9° | 179.9° |
O | C11 | C12 | C13 | 11.7° | 0.2° |
O | C11 | C12 | C17 | 166.4° | 180.0° |
C11 | O | C9 | H11 | 44.7° | 36.7° |
O1 | C11 | C12 | C13 | 179.0° | 179.7° |
O1 | C11 | C12 | C17 | 2.9° | 0.1° |
C11 | C12 | C13 | C17 | 178.2° | 179.8° |
C11 | C12 | C13 | C14 | 177.7° | 179.7° |
C11 | C12 | C17 | C16 | 176.8° | 180.0° |
C11 | C12 | C17 | H14 | 3.2° | 0.0° |
C11 | C12 | C13 | H17 | 2.3° | 0.1° |
C12 | C13 | C14 | H17 | 180.0° | 179.8° |
C12 | C13 | C14 | C15 | 0.4° | 0.5° |
C13 | C12 | C17 | C16 | 1.4° | 0.2° |
C13 | C12 | C17 | H14 | 178.6° | 179.8° |
C12 | C13 | C14 | H16 | 179.6° | 179.7° |
C14 | C13 | C12 | C17 | 0.5° | 0.5° |
C13 | C14 | C15 | H16 | 180.0° | 179.7° |
C13 | C14 | C15 | C16 | 0.3° | 0.3° |
C13 | C14 | C15 | O2 | 180.0° | 179.8° |
C12 | C17 | C16 | H14 | 180.0° | 180.0° |
C12 | C17 | C16 | C15 | 1.4° | 0.1° |
C12 | C17 | C16 | H15 | 178.6° | 180.0° |
C17 | C12 | C13 | H17 | 179.5° | 179.7° |
C14 | C15 | C16 | C17 | 0.5° | 0.0° |
C14 | C15 | C16 | O2 | 179.7° | 179.9° |
C14 | C15 | O2 | H12 | 180.0° | 90.1° |
C14 | C15 | C16 | H15 | 179.4° | 180.0° |
C15 | C14 | C13 | H17 | 179.6° | 179.7° |
C17 | C16 | C15 | H15 | 180.0° | 180.0° |
C17 | C16 | C15 | O2 | 179.1° | 179.9° |
C16 | C15 | O2 | H12 | 0.3° | 90.0° |
C15 | C16 | C17 | H14 | 178.6° | 180.0° |
C16 | C15 | C14 | H16 | 179.7° | 180.0° |
O2 | C15 | C16 | H15 | 0.9° | 0.1° |
O2 | C15 | C14 | H16 | 0.0° | 0.1° |
H1 | C4 | C3 | H4 | 139.0° | 125.8° |
H1 | C4 | C3 | H5 | 16.4° | 114.6° |
H2 | C4 | C3 | H4 | 103.1° | 8.9° |
H2 | C4 | C3 | H5 | 134.3° | 128.5° |
H3 | C6 | C7 | H9 | 1.3° | 0.3° |
H4 | C3 | C2 | H6 | 115.5° | 16.6° |
H5 | C3 | C2 | H6 | 7.1° | 134.3° |
H7 | C10 | C9 | H11 | 31.8° | 27.7° |
H8 | C10 | C9 | H11 | 88.9° | 148.1° |
H9 | C7 | C8 | H10 | 170.0° | 1.9° |
H10 | C8 | C9 | H11 | 174.5° | 23.9° |
H10 | C8 | C18 | H21 | 136.2° | 178.0° |
H14 | C17 | C16 | H15 | 1.4° | 0.0° |
H16 | C14 | C13 | H17 | 0.4° | 0.1° |
H18 | C | H19 | H20 | 119.9° | 120.0° |
H21 | C18 | C20 | H22 | 61.5° | 180.0° |
H21 | C18 | C20 | H23 | 58.5° | 60.0° |
H21 | C18 | C20 | H24 | 178.5° | 60.1° |
H21 | C18 | C19 | H25 | 63.3° | 54.3° |
H21 | C18 | C19 | H26 | 176.7° | 65.7° |
H21 | C18 | C19 | H27 | 56.7° | 174.3° |
H22 | C20 | H23 | H24 | 120.0° | 120.1° |
H25 | C19 | H26 | H27 | 120.0° | 120.0° |
H28 | C21 | H29 | H30 | 120.0° | 120.0° |