4QM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C9 | sing | 1.53Å | 1.56Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.55Å | 1.55Å | |
| C9 | C5 | sing | 1.52Å | 1.56Å | |
| C8 | C7 | sing | 1.55Å | 1.52Å | |
| C4 | C5 | sing | 1.52Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | C10 | sing | 1.53Å | 1.54Å | |
| O2 | C13 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C18 | sing | 1.52Å | 1.57Å | |
| C3 | C19 | sing | 1.52Å | 1.54Å | |
| O3 | C17 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C1 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.54Å | 1.56Å | |
| C19 | C2 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C15 | sing | 1.53Å | 1.54Å | |
| C2 | C11 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| O2 | H40 | sing | 0.97Å | 0.95Å | |
| O3 | H41 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 111.1° | 109.5° |
| C24 | C23 | H35 | 109.1° | 109.5° |
| C24 | C23 | H36 | 109.0° | 109.5° |
| C23 | C24 | H37 | 109.5° | 109.5° |
| C23 | C24 | H38 | 109.5° | 109.5° |
| C23 | C24 | H39 | 109.5° | 109.5° |
| C23 | C22 | C20 | 118.3° | 109.5° |
| C23 | C22 | H33 | 107.2° | 109.5° |
| C23 | C22 | H34 | 107.2° | 109.5° |
| C22 | C23 | H35 | 109.1° | 109.4° |
| C22 | C23 | H36 | 109.1° | 109.5° |
| C22 | C20 | C21 | 109.9° | 109.5° |
| C22 | C20 | C9 | 112.8° | 109.5° |
| C22 | C20 | H29 | 106.3° | 109.5° |
| C20 | C22 | H33 | 107.2° | 109.4° |
| C20 | C22 | H34 | 107.2° | 109.5° |
| C21 | C20 | C9 | 114.6° | 109.4° |
| C21 | C20 | H29 | 106.4° | 109.5° |
| C20 | C21 | H30 | 109.5° | 109.5° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C20 | C9 | C8 | 113.4° | 110.3° |
| C20 | C9 | C5 | 120.6° | 110.3° |
| C20 | C9 | H11 | 105.9° | 110.3° |
| C9 | C20 | H29 | 106.1° | 109.5° |
| O4 | C4 | C5 | 113.0° | 109.9° |
| O4 | C4 | C3 | 106.2° | 109.9° |
| O4 | C4 | H5 | 108.1° | 110.0° |
| C4 | O4 | H42 | 109.5° | 114.0° |
| C8 | C9 | C5 | 104.1° | 105.3° |
| C9 | C8 | C7 | 108.1° | 106.4° |
| C9 | C8 | H9 | 109.8° | 110.1° |
| C9 | C8 | H10 | 109.8° | 110.1° |
| C8 | C9 | H11 | 106.0° | 110.2° |
| C9 | C5 | C4 | 117.7° | 116.5° |
| C9 | C5 | C6 | 100.7° | 103.3° |
| C9 | C5 | C10 | 111.3° | 109.7° |
| C5 | C9 | H11 | 105.9° | 110.3° |
| C8 | C7 | C6 | 103.5° | 102.9° |
| C8 | C7 | H7 | 110.9° | 110.8° |
| C8 | C7 | H8 | 111.0° | 110.9° |
| C7 | C8 | H9 | 109.8° | 110.0° |
| C7 | C8 | H10 | 109.8° | 110.1° |
| C5 | C4 | C3 | 115.5° | 107.3° |
| C4 | C5 | C6 | 108.3° | 107.4° |
| C4 | C5 | C10 | 107.2° | 109.7° |
| C5 | C4 | H5 | 106.8° | 109.9° |
| C4 | C3 | C19 | 115.7° | 111.3° |
| C4 | C3 | H3 | 107.9° | 109.1° |
| C4 | C3 | H4 | 107.9° | 109.0° |
| C3 | C4 | H5 | 106.9° | 109.9° |
| C6 | C5 | C10 | 111.5° | 109.8° |
| C5 | C6 | C7 | 105.1° | 101.7° |
| C5 | C6 | C18 | 114.1° | 107.0° |
| C5 | C6 | H6 | 105.2° | 110.5° |
| C5 | C10 | H12 | 109.5° | 109.5° |
| C5 | C10 | H13 | 109.5° | 109.4° |
| C5 | C10 | H14 | 109.5° | 109.5° |
| O2 | C13 | C12 | 111.8° | 109.5° |
| O2 | C13 | C14 | 107.6° | 109.5° |
| O2 | C13 | H20 | 109.4° | 109.5° |
| C13 | O2 | H40 | 109.5° | 114.0° |
| C7 | C6 | C18 | 121.0° | 115.9° |
| C7 | C6 | H6 | 105.2° | 110.4° |
| C6 | C7 | H7 | 111.0° | 110.7° |
| C6 | C7 | H8 | 110.9° | 110.7° |
| C6 | C18 | C19 | 110.2° | 107.2° |
| C6 | C18 | C17 | 113.3° | 110.4° |
| C18 | C6 | H6 | 104.9° | 110.9° |
| C6 | C18 | H27 | 107.0° | 109.8° |
| C3 | C19 | C18 | 112.9° | 111.6° |
| C3 | C19 | C2 | 113.2° | 110.0° |
| C19 | C3 | H3 | 107.9° | 109.1° |
| C19 | C3 | H4 | 107.9° | 109.1° |
| C3 | C19 | H28 | 105.4° | 108.9° |
| O3 | C17 | C18 | 111.5° | 109.4° |
| O3 | C17 | C16 | 107.7° | 109.5° |
| O3 | C17 | H26 | 108.6° | 109.5° |
| C17 | O3 | H41 | 109.5° | 113.9° |
| C13 | C12 | C1 | 111.5° | 109.5° |
| C12 | C13 | C14 | 111.7° | 109.5° |
| C13 | C12 | H18 | 108.9° | 109.5° |
| C13 | C12 | H19 | 109.0° | 109.5° |
| C12 | C13 | H20 | 108.1° | 109.4° |
| C12 | C1 | C2 | 116.7° | 109.4° |
| C12 | C1 | H1 | 107.6° | 109.5° |
| C12 | C1 | H2 | 107.6° | 109.5° |
| C1 | C12 | H18 | 109.0° | 109.5° |
| C1 | C12 | H19 | 109.0° | 109.4° |
| C18 | C19 | C2 | 114.0° | 109.3° |
| C19 | C18 | C17 | 111.6° | 109.2° |
| C19 | C18 | H27 | 107.0° | 110.6° |
| C18 | C19 | H28 | 105.1° | 108.8° |
| C19 | C2 | C1 | 113.6° | 109.4° |
| C19 | C2 | C15 | 107.9° | 109.3° |
| C19 | C2 | C11 | 111.9° | 109.7° |
| C2 | C19 | H28 | 105.1° | 108.2° |
| C13 | C14 | C15 | 114.3° | 109.5° |
| C14 | C13 | H20 | 108.1° | 109.4° |
| C13 | C14 | H21 | 108.2° | 109.5° |
| C13 | C14 | H22 | 108.2° | 109.5° |
| C18 | C17 | C16 | 114.5° | 109.5° |
| C18 | C17 | H26 | 107.1° | 109.4° |
| C17 | C18 | H27 | 107.3° | 109.7° |
| C14 | C15 | C2 | 114.5° | 109.4° |
| C14 | C15 | C16 | 109.5° | 109.4° |
| C15 | C14 | H21 | 108.2° | 109.4° |
| C15 | C14 | H22 | 108.2° | 109.4° |
| C14 | C15 | H23 | 105.9° | 109.5° |
| C17 | C16 | C15 | 117.0° | 109.5° |
| C17 | C16 | H24 | 107.6° | 109.4° |
| C17 | C16 | H25 | 107.5° | 109.4° |
| C16 | C17 | H26 | 107.2° | 109.5° |
| C1 | C2 | C15 | 109.0° | 109.4° |
| C1 | C2 | C11 | 105.7° | 109.5° |
| C2 | C1 | H1 | 107.6° | 109.4° |
| C2 | C1 | H2 | 107.6° | 109.5° |
| C15 | C2 | C11 | 108.6° | 109.5° |
| C2 | C15 | C16 | 114.3° | 109.4° |
| C2 | C15 | H23 | 105.9° | 109.5° |
| C2 | C11 | H15 | 109.5° | 109.5° |
| C2 | C11 | H16 | 109.5° | 109.5° |
| C2 | C11 | H17 | 109.5° | 109.5° |
| C16 | C15 | H23 | 105.9° | 109.7° |
| C15 | C16 | H24 | 107.6° | 109.5° |
| C15 | C16 | H25 | 107.6° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.1° |
| H7 | C7 | H8 | 109.5° | 110.7° |
| H9 | C8 | H10 | 109.5° | 110.0° |
| H12 | C10 | H13 | 109.4° | 109.4° |
| H12 | C10 | H14 | 109.4° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.4° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.4° | 109.5° |
| H30 | C21 | H32 | 109.5° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.4° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.5° | 109.5° |
| H37 | C24 | H39 | 109.4° | 109.4° |
| H38 | C24 | H39 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H35 | 120.3° | 120.0° |
| C24 | C23 | C22 | H36 | 120.2° | 120.0° |
| C24 | C23 | C22 | C20 | 151.7° | 180.0° |
| C24 | C23 | C22 | H33 | 87.0° | 60.1° |
| C24 | C23 | C22 | H34 | 30.5° | 60.0° |
| C24 | C23 | H35 | H36 | 119.2° | 120.1° |
| C23 | C24 | H37 | H38 | 120.0° | 120.0° |
| C23 | C24 | H37 | H39 | 120.0° | 119.9° |
| C23 | C24 | H38 | H39 | 120.0° | 120.0° |
| C23 | C22 | C20 | H33 | 121.2° | 120.0° |
| C23 | C22 | C20 | H34 | 121.2° | 120.0° |
| C23 | C22 | C20 | C21 | 3.1° | 65.0° |
| C23 | C22 | C20 | C9 | 126.2° | 175.0° |
| C23 | C22 | C20 | H29 | 117.9° | 55.0° |
| C23 | C22 | H33 | H34 | 116.0° | 120.1° |
| C22 | C23 | H35 | H36 | 119.3° | 120.0° |
| C22 | C23 | C24 | H37 | 180.0° | 59.9° |
| C22 | C23 | C24 | H38 | 60.0° | 179.9° |
| C22 | C23 | C24 | H39 | 60.0° | 60.0° |
| C22 | C20 | C21 | C9 | 128.3° | 120.0° |
| C22 | C20 | C21 | H29 | 114.7° | 120.0° |
| C22 | C20 | C9 | H29 | 116.0° | 120.0° |
| C22 | C20 | C9 | C8 | 64.1° | 61.4° |
| C22 | C20 | C9 | C5 | 171.6° | 177.4° |
| C22 | C20 | C9 | H11 | 51.7° | 60.6° |
| C22 | C20 | C21 | H30 | 180.0° | 60.0° |
| C22 | C20 | C21 | H31 | 60.0° | 180.0° |
| C22 | C20 | C21 | H32 | 60.0° | 60.0° |
| C20 | C22 | H33 | H34 | 116.0° | 120.0° |
| C20 | C22 | C23 | H35 | 31.5° | 60.0° |
| C20 | C22 | C23 | H36 | 88.0° | 60.0° |
| C21 | C20 | C9 | H29 | 117.2° | 120.0° |
| C21 | C20 | C9 | C8 | 169.1° | 178.6° |
| C21 | C20 | C9 | C5 | 44.8° | 62.6° |
| C21 | C20 | C9 | H11 | 75.2° | 59.5° |
| C20 | C21 | H30 | H31 | 120.0° | 120.1° |
| C20 | C21 | H30 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C21 | C20 | C22 | H33 | 124.4° | 175.0° |
| C21 | C20 | C22 | H34 | 118.1° | 55.0° |
| C20 | C9 | C8 | C5 | 132.9° | 119.0° |
| C20 | C9 | C8 | H11 | 115.7° | 122.0° |
| C20 | C9 | C5 | H11 | 119.9° | 122.1° |
| C20 | C9 | C8 | C7 | 148.2° | 122.4° |
| C20 | C9 | C5 | C4 | 78.6° | 94.3° |
| C20 | C9 | C5 | C6 | 164.1° | 148.2° |
| C20 | C9 | C5 | C10 | 45.8° | 31.2° |
| C20 | C9 | C8 | H9 | 91.9° | 3.2° |
| C20 | C9 | C8 | H10 | 28.5° | 118.3° |
| C9 | C20 | C21 | H30 | 51.7° | 60.0° |
| C9 | C20 | C21 | H31 | 171.7° | 60.0° |
| C9 | C20 | C21 | H32 | 68.3° | 180.0° |
| C9 | C20 | C22 | H33 | 4.9° | 55.0° |
| C9 | C20 | C22 | H34 | 112.6° | 65.0° |
| O4 | C4 | C5 | C9 | 41.2° | 60.2° |
| O4 | C4 | C5 | C3 | 122.5° | 119.5° |
| O4 | C4 | C5 | H5 | 118.8° | 121.1° |
| O4 | C4 | C3 | H5 | 115.2° | 121.1° |
| O4 | C4 | C5 | C6 | 71.9° | 55.1° |
| O4 | C4 | C5 | C10 | 167.6° | 174.4° |
| O4 | C4 | C3 | C19 | 80.6° | 62.1° |
| O4 | C4 | C3 | H3 | 158.5° | 177.4° |
| O4 | C4 | C3 | H4 | 40.3° | 58.4° |
| C8 | C9 | C5 | H11 | 111.5° | 118.9° |
| C9 | C8 | C7 | H9 | 119.8° | 119.3° |
| C9 | C8 | C7 | H10 | 119.8° | 119.3° |
| C8 | C9 | C5 | C4 | 152.8° | 146.7° |
| C8 | C9 | C5 | C6 | 35.5° | 29.2° |
| C8 | C9 | C5 | C10 | 82.8° | 87.8° |
| C9 | C8 | C7 | C6 | 11.2° | 24.0° |
| C9 | C8 | C7 | H7 | 130.3° | 94.3° |
| C9 | C8 | C7 | H8 | 107.8° | 142.4° |
| C9 | C8 | H9 | H10 | 120.6° | 121.6° |
| C8 | C9 | C20 | H29 | 51.9° | 58.6° |
| C5 | C9 | C8 | C7 | 15.3° | 3.4° |
| C9 | C5 | C4 | C6 | 113.1° | 115.3° |
| C9 | C5 | C4 | C10 | 126.4° | 125.4° |
| C9 | C5 | C4 | C3 | 163.7° | 179.6° |
| C9 | C5 | C6 | C10 | 118.2° | 117.0° |
| C9 | C5 | C6 | C7 | 43.7° | 44.4° |
| C9 | C5 | C6 | C18 | 178.5° | 166.3° |
| C9 | C5 | C4 | H5 | 77.6° | 61.0° |
| C9 | C5 | C6 | H6 | 67.1° | 72.8° |
| C5 | C9 | C8 | H9 | 135.1° | 115.8° |
| C5 | C9 | C8 | H10 | 104.5° | 122.7° |
| C9 | C5 | C10 | H12 | 180.0° | 172.8° |
| C9 | C5 | C10 | H13 | 60.0° | 52.9° |
| C9 | C5 | C10 | H14 | 60.0° | 67.2° |
| C5 | C9 | C20 | H29 | 72.4° | 57.3° |
| C8 | C7 | C6 | C5 | 34.5° | 41.6° |
| C8 | C7 | C6 | H7 | 119.0° | 118.4° |
| C8 | C7 | C6 | H8 | 119.0° | 118.5° |
| C8 | C7 | C6 | C18 | 165.5° | 157.2° |
| C8 | C7 | C6 | H6 | 76.2° | 75.6° |
| C8 | C7 | H7 | H8 | 122.8° | 123.4° |
| C7 | C8 | H9 | H10 | 120.7° | 121.5° |
| C7 | C8 | C9 | H11 | 96.1° | 115.6° |
| C5 | C4 | C3 | H5 | 118.6° | 119.4° |
| C4 | C5 | C6 | C10 | 117.8° | 119.3° |
| C4 | C5 | C6 | C7 | 167.7° | 168.1° |
| C4 | C5 | C6 | C18 | 57.4° | 69.9° |
| C5 | C4 | C3 | C19 | 45.5° | 57.4° |
| C5 | C4 | C3 | H3 | 75.4° | 63.1° |
| C5 | C4 | C3 | H4 | 166.5° | 177.9° |
| C4 | C5 | C6 | H6 | 57.0° | 51.0° |
| C4 | C5 | C9 | H11 | 41.4° | 27.8° |
| C4 | C5 | C10 | H12 | 50.0° | 58.0° |
| C4 | C5 | C10 | H13 | 170.0° | 177.9° |
| C4 | C5 | C10 | H14 | 70.0° | 62.1° |
| C5 | C4 | O4 | H42 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 50.6° | 64.3° |
| C3 | C4 | C5 | C10 | 69.9° | 54.9° |
| C4 | C3 | C19 | H3 | 120.9° | 120.5° |
| C4 | C3 | C19 | H4 | 120.9° | 120.4° |
| C4 | C3 | C19 | C18 | 43.2° | 54.9° |
| C4 | C3 | C19 | C2 | 174.6° | 176.4° |
| C4 | C3 | H3 | H4 | 117.2° | 119.0° |
| C4 | C3 | C19 | H28 | 71.0° | 65.2° |
| C3 | C4 | O4 | H42 | 52.4° | 62.2° |
| C5 | C6 | C7 | C18 | 131.0° | 115.6° |
| C5 | C6 | C7 | H6 | 110.8° | 117.2° |
| C5 | C6 | C18 | H6 | 114.6° | 120.6° |
| C5 | C6 | C18 | C19 | 57.3° | 64.6° |
| C5 | C6 | C18 | C17 | 176.8° | 176.6° |
| C6 | C5 | C4 | H5 | 169.3° | 176.3° |
| C5 | C6 | C7 | H7 | 153.6° | 76.8° |
| C5 | C6 | C7 | H8 | 84.5° | 160.1° |
| C6 | C5 | C9 | H11 | 76.0° | 89.7° |
| C6 | C5 | C10 | H12 | 68.4° | 59.9° |
| C6 | C5 | C10 | H13 | 51.6° | 60.0° |
| C6 | C5 | C10 | H14 | 171.6° | 180.0° |
| C5 | C6 | C18 | H27 | 58.8° | 55.6° |
| C10 | C5 | C6 | C7 | 74.5° | 72.6° |
| C10 | C5 | C6 | C18 | 60.4° | 49.4° |
| C10 | C5 | C4 | H5 | 48.8° | 64.5° |
| C10 | C5 | C6 | H6 | 174.8° | 170.2° |
| C10 | C5 | C9 | H11 | 165.7° | 153.3° |
| C5 | C10 | H12 | H13 | 120.0° | 119.9° |
| C5 | C10 | H12 | H14 | 120.0° | 120.1° |
| C5 | C10 | H13 | H14 | 120.0° | 120.0° |
| O2 | C13 | C12 | C14 | 120.7° | 120.0° |
| O2 | C13 | C12 | H20 | 120.5° | 120.0° |
| O2 | C13 | C12 | C1 | 170.6° | 179.9° |
| O2 | C13 | C14 | H20 | 118.1° | 120.0° |
| O2 | C13 | C14 | C15 | 173.5° | 179.9° |
| O2 | C13 | C12 | H18 | 50.3° | 60.1° |
| O2 | C13 | C12 | H19 | 69.1° | 59.9° |
| O2 | C13 | C14 | H21 | 65.8° | 60.1° |
| O2 | C13 | C14 | H22 | 52.8° | 59.9° |
| C7 | C6 | C18 | H6 | 118.4° | 126.9° |
| C7 | C6 | C18 | C19 | 175.7° | 177.1° |
| C7 | C6 | C18 | C17 | 49.8° | 64.1° |
| C6 | C7 | H7 | H8 | 122.8° | 123.1° |
| C6 | C7 | C8 | H9 | 108.6° | 143.3° |
| C6 | C7 | C8 | H10 | 131.0° | 95.3° |
| C7 | C6 | C18 | H27 | 68.2° | 57.0° |
| C6 | C18 | C19 | C3 | 47.6° | 58.0° |
| C6 | C18 | C17 | O3 | 45.5° | 57.8° |
| C6 | C18 | C19 | C17 | 126.9° | 119.6° |
| C6 | C18 | C19 | H27 | 116.0° | 119.6° |
| C6 | C18 | C19 | C2 | 178.6° | 179.9° |
| C6 | C18 | C17 | H27 | 117.9° | 121.1° |
| C6 | C18 | C17 | C16 | 168.1° | 177.8° |
| C18 | C6 | C7 | H7 | 75.4° | 38.8° |
| C18 | C6 | C7 | H8 | 46.5° | 84.2° |
| C6 | C18 | C17 | H26 | 73.2° | 62.2° |
| C6 | C18 | C19 | H28 | 66.8° | 62.1° |
| C3 | C19 | C18 | C2 | 131.0° | 121.9° |
| C3 | C19 | C18 | H28 | 114.4° | 120.1° |
| C3 | C19 | C2 | H28 | 114.5° | 118.8° |
| C3 | C19 | C18 | C17 | 174.5° | 177.6° |
| C3 | C19 | C2 | C1 | 50.2° | 56.9° |
| C3 | C19 | C2 | C15 | 171.1° | 176.6° |
| C3 | C19 | C2 | C11 | 69.5° | 63.2° |
| C19 | C3 | H3 | H4 | 117.2° | 119.2° |
| C19 | C3 | C4 | H5 | 164.2° | 176.8° |
| C3 | C19 | C18 | H27 | 68.4° | 61.6° |
| O3 | C17 | C18 | C19 | 79.7° | 59.8° |
| O3 | C17 | C18 | C16 | 122.7° | 120.0° |
| O3 | C17 | C18 | H26 | 118.6° | 120.0° |
| O3 | C17 | C16 | H26 | 116.7° | 120.1° |
| O3 | C17 | C16 | C15 | 85.4° | 59.8° |
| O3 | C17 | C16 | H24 | 35.7° | 179.9° |
| O3 | C17 | C16 | H25 | 153.5° | 60.2° |
| O3 | C17 | C18 | H27 | 163.3° | 178.9° |
| C13 | C12 | C1 | H18 | 120.3° | 120.1° |
| C13 | C12 | C1 | H19 | 120.3° | 120.0° |
| C12 | C13 | C14 | H20 | 118.8° | 120.0° |
| C12 | C13 | C14 | C15 | 50.4° | 59.9° |
| C13 | C12 | C1 | C2 | 52.3° | 60.1° |
| C13 | C12 | C1 | H1 | 173.4° | 59.9° |
| C13 | C12 | C1 | H2 | 68.7° | 179.9° |
| C13 | C12 | H18 | H19 | 119.1° | 120.0° |
| C12 | C13 | C14 | H21 | 171.1° | 179.9° |
| C12 | C13 | C14 | H22 | 70.3° | 60.1° |
| C12 | C13 | O2 | H40 | 180.0° | 59.9° |
| C12 | C1 | C2 | C19 | 70.1° | 59.4° |
| C1 | C12 | C13 | C14 | 49.9° | 59.8° |
| C12 | C1 | C2 | H1 | 121.0° | 119.9° |
| C12 | C1 | C2 | H2 | 121.0° | 120.0° |
| C12 | C1 | C2 | C15 | 50.2° | 60.3° |
| C12 | C1 | C2 | C11 | 166.8° | 179.7° |
| C12 | C1 | H1 | H2 | 116.7° | 120.0° |
| C1 | C12 | H18 | H19 | 119.1° | 120.0° |
| C1 | C12 | C13 | H20 | 68.9° | 60.1° |
| C18 | C19 | C2 | H28 | 114.6° | 118.4° |
| C19 | C18 | C17 | H27 | 117.0° | 121.3° |
| C19 | C18 | C17 | C16 | 43.0° | 60.2° |
| C18 | C19 | C2 | C1 | 178.9° | 179.7° |
| C18 | C19 | C2 | C15 | 58.0° | 60.6° |
| C18 | C19 | C2 | C11 | 61.4° | 59.6° |
| C18 | C19 | C3 | H3 | 77.7° | 65.6° |
| C18 | C19 | C3 | H4 | 164.1° | 175.3° |
| C19 | C18 | C6 | H6 | 57.4° | 56.0° |
| C19 | C18 | C17 | H26 | 161.7° | 179.8° |
| C2 | C19 | C18 | C17 | 54.5° | 60.5° |
| C19 | C2 | C15 | C14 | 75.8° | 59.5° |
| C19 | C2 | C1 | C15 | 120.3° | 119.7° |
| C19 | C2 | C1 | C11 | 123.1° | 120.3° |
| C19 | C2 | C15 | C11 | 121.5° | 120.2° |
| C19 | C2 | C15 | C16 | 51.8° | 60.3° |
| C19 | C2 | C1 | H1 | 50.9° | 179.3° |
| C19 | C2 | C1 | H2 | 168.9° | 60.6° |
| C2 | C19 | C3 | H3 | 53.7° | 55.9° |
| C2 | C19 | C3 | H4 | 64.5° | 63.2° |
| C19 | C2 | C11 | H15 | 180.0° | 179.9° |
| C19 | C2 | C11 | H16 | 60.0° | 59.9° |
| C19 | C2 | C11 | H17 | 60.0° | 60.1° |
| C19 | C2 | C15 | H23 | 168.0° | 179.5° |
| C2 | C19 | C18 | H27 | 62.6° | 60.3° |
| C13 | C14 | C15 | H21 | 120.7° | 120.1° |
| C13 | C14 | C15 | H22 | 120.7° | 120.0° |
| C13 | C14 | C15 | C2 | 50.8° | 60.1° |
| C13 | C14 | C15 | C16 | 179.2° | 179.9° |
| C14 | C13 | C12 | H18 | 70.4° | 179.9° |
| C14 | C13 | C12 | H19 | 170.2° | 60.1° |
| C13 | C14 | H21 | H22 | 117.8° | 120.0° |
| C13 | C14 | C15 | H23 | 65.4° | 59.9° |
| C14 | C13 | O2 | H40 | 56.9° | 180.0° |
| C18 | C17 | C16 | H26 | 118.6° | 120.0° |
| C18 | C17 | C16 | C15 | 39.3° | 60.1° |
| C17 | C18 | C6 | H6 | 68.6° | 62.8° |
| C18 | C17 | C16 | H24 | 160.4° | 59.9° |
| C18 | C17 | C16 | H25 | 81.8° | 179.9° |
| C17 | C18 | C19 | H28 | 60.1° | 57.5° |
| C18 | C17 | O3 | H41 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 85.4° | 59.8° |
| C14 | C15 | C2 | C1 | 48.0° | 60.2° |
| C14 | C15 | C2 | C16 | 127.5° | 119.8° |
| C14 | C15 | C2 | H23 | 116.2° | 120.0° |
| C14 | C15 | C2 | C11 | 162.7° | 179.7° |
| C14 | C15 | C16 | H23 | 113.8° | 120.1° |
| C15 | C14 | C13 | H20 | 68.4° | 60.1° |
| C15 | C14 | H21 | H22 | 117.8° | 119.9° |
| C14 | C15 | C16 | H24 | 35.7° | 179.7° |
| C14 | C15 | C16 | H25 | 153.6° | 60.3° |
| C17 | C16 | C15 | C2 | 44.7° | 60.0° |
| C17 | C16 | C15 | H24 | 121.1° | 120.0° |
| C17 | C16 | C15 | H25 | 121.1° | 120.0° |
| C17 | C16 | C15 | H23 | 160.9° | 179.9° |
| C17 | C16 | H24 | H25 | 116.6° | 119.9° |
| C16 | C17 | C18 | H27 | 74.0° | 61.1° |
| C16 | C17 | O3 | H41 | 53.5° | 60.0° |
| C1 | C2 | C15 | C11 | 114.7° | 120.0° |
| C1 | C2 | C15 | C16 | 175.6° | 179.9° |
| C2 | C1 | H1 | H2 | 116.7° | 120.1° |
| C1 | C2 | C11 | H15 | 55.8° | 60.0° |
| C1 | C2 | C11 | H16 | 175.8° | 179.9° |
| C1 | C2 | C11 | H17 | 64.2° | 60.0° |
| C2 | C1 | C12 | H18 | 67.9° | 179.9° |
| C2 | C1 | C12 | H19 | 172.7° | 59.9° |
| C1 | C2 | C15 | H23 | 68.2° | 59.7° |
| C1 | C2 | C19 | H28 | 64.4° | 61.9° |
| C2 | C15 | C16 | H23 | 116.2° | 120.1° |
| C15 | C2 | C1 | H1 | 171.3° | 59.7° |
| C15 | C2 | C1 | H2 | 70.8° | 179.7° |
| C15 | C2 | C11 | H15 | 61.0° | 59.9° |
| C15 | C2 | C11 | H16 | 59.0° | 60.1° |
| C15 | C2 | C11 | H17 | 179.0° | 179.9° |
| C2 | C15 | C14 | H21 | 171.5° | 179.9° |
| C2 | C15 | C14 | H22 | 69.8° | 59.9° |
| C2 | C15 | C16 | H24 | 165.7° | 59.9° |
| C2 | C15 | C16 | H25 | 76.4° | 179.9° |
| C15 | C2 | C19 | H28 | 56.6° | 57.8° |
| C11 | C2 | C15 | C16 | 69.8° | 59.9° |
| C11 | C2 | C1 | H1 | 72.2° | 60.4° |
| C11 | C2 | C1 | H2 | 45.7° | 59.7° |
| C2 | C11 | H15 | H16 | 120.0° | 120.0° |
| C2 | C11 | H15 | H17 | 120.0° | 120.0° |
| C2 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C2 | C15 | H23 | 46.4° | 60.3° |
| C11 | C2 | C19 | H28 | 176.0° | 177.9° |
| C16 | C15 | C14 | H21 | 58.5° | 60.0° |
| C16 | C15 | C14 | H22 | 60.1° | 59.9° |
| C15 | C16 | H24 | H25 | 116.6° | 120.0° |
| C15 | C16 | C17 | H26 | 157.9° | 179.9° |
| H1 | C1 | C12 | H18 | 53.1° | 60.2° |
| H1 | C1 | C12 | H19 | 66.3° | 179.8° |
| H2 | C1 | C12 | H18 | 171.0° | 59.9° |
| H2 | C1 | C12 | H19 | 51.6° | 60.1° |
| H3 | C3 | C4 | H5 | 43.3° | 56.3° |
| H3 | C3 | C19 | H28 | 168.0° | 174.3° |
| H4 | C3 | C4 | H5 | 74.9° | 62.7° |
| H4 | C3 | C19 | H28 | 49.9° | 55.2° |
| H5 | C4 | O4 | H42 | 62.0° | 58.9° |
| H6 | C6 | C7 | H7 | 42.8° | 166.0° |
| H6 | C6 | C7 | H8 | 164.7° | 42.9° |
| H6 | C6 | C18 | H27 | 173.4° | 176.2° |
| H7 | C7 | C8 | H9 | 10.5° | 24.9° |
| H7 | C7 | C8 | H10 | 109.9° | 146.3° |
| H8 | C7 | C8 | H9 | 132.4° | 98.4° |
| H8 | C7 | C8 | H10 | 12.0° | 23.0° |
| H9 | C8 | C9 | H11 | 23.7° | 125.2° |
| H10 | C8 | C9 | H11 | 144.1° | 3.7° |
| H11 | C9 | C20 | H29 | 167.7° | 179.4° |
| H12 | C10 | H13 | H14 | 119.9° | 120.0° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| H18 | C12 | C13 | H20 | 170.8° | 59.9° |
| H19 | C12 | C13 | H20 | 51.4° | 179.9° |
| H20 | C13 | C14 | H21 | 52.3° | 59.9° |
| H20 | C13 | C14 | H22 | 170.9° | 179.9° |
| H20 | C13 | O2 | H40 | 60.3° | 60.1° |
| H21 | C14 | C15 | H23 | 55.3° | 60.2° |
| H22 | C14 | C15 | H23 | 173.9° | 179.9° |
| H23 | C15 | C16 | H24 | 78.1° | 60.1° |
| H23 | C15 | C16 | H25 | 39.8° | 59.9° |
| H24 | C16 | C17 | H26 | 81.0° | 60.1° |
| H25 | C16 | C17 | H26 | 36.8° | 59.9° |
| H26 | C17 | C18 | H27 | 44.7° | 58.9° |
| H26 | C17 | O3 | H41 | 62.3° | 60.0° |
| H27 | C18 | C19 | H28 | 177.2° | 178.3° |
| H29 | C20 | C21 | H30 | 65.3° | 180.0° |
| H29 | C20 | C21 | H31 | 54.7° | 59.9° |
| H29 | C20 | C21 | H32 | 174.7° | 60.0° |
| H29 | C20 | C22 | H33 | 120.8° | 65.0° |
| H29 | C20 | C22 | H34 | 3.3° | 175.0° |
| H30 | C21 | H31 | H32 | 120.0° | 119.9° |
| H33 | C22 | C23 | H35 | 152.7° | 180.0° |
| H33 | C22 | C23 | H36 | 33.2° | 60.0° |
| H34 | C22 | C23 | H35 | 89.8° | 60.0° |
| H34 | C22 | C23 | H36 | 150.7° | 180.0° |
| H35 | C23 | C24 | H37 | 59.7° | 60.0° |
| H35 | C23 | C24 | H38 | 60.3° | 60.0° |
| H35 | C23 | C24 | H39 | 179.7° | 179.9° |
| H36 | C23 | C24 | H37 | 59.7° | 179.9° |
| H36 | C23 | C24 | H38 | 179.8° | 60.1° |
| H36 | C23 | C24 | H39 | 60.2° | 60.0° |
| H37 | C24 | H38 | H39 | 119.9° | 120.0° |
