A1CE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.52Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | doub | 1.30Å | 1.33Å | |
| C16 | C21 | sing | 1.50Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.50Å | 1.49Å | |
| C21 | C23 | sing | 1.52Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C23 | C13 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.52Å | 1.53Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C26 | sing | 1.55Å | 1.54Å | |
| C25 | C26 | sing | 1.55Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| C26 | C9 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.55Å | 1.55Å | |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O1 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H40 | sing | 1.09Å | 1.10Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| O2 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C18 | C17 | 110.8° | 109.5° |
| O2 | C18 | C19 | 110.4° | 109.5° |
| O2 | C18 | H21 | 109.1° | 109.5° |
| C18 | O2 | H46 | 109.5° | 114.0° |
| C17 | C18 | C19 | 110.4° | 109.4° |
| C18 | C17 | C16 | 111.9° | 108.4° |
| C18 | C17 | H19 | 108.9° | 109.6° |
| C18 | C17 | H20 | 108.9° | 109.7° |
| C17 | C18 | H21 | 108.0° | 109.4° |
| C18 | C19 | C20 | 111.1° | 109.7° |
| C19 | C18 | H21 | 108.1° | 109.5° |
| C18 | C19 | H22 | 109.1° | 109.4° |
| C18 | C19 | H23 | 109.0° | 109.5° |
| C17 | C16 | C15 | 120.8° | 118.3° |
| C17 | C16 | C21 | 116.0° | 117.8° |
| C16 | C17 | H19 | 108.9° | 109.7° |
| C16 | C17 | H20 | 108.8° | 109.7° |
| C19 | C20 | C21 | 114.2° | 109.4° |
| C20 | C19 | H22 | 109.0° | 109.4° |
| C20 | C19 | H23 | 109.1° | 109.4° |
| C19 | C20 | H24 | 108.3° | 109.5° |
| C19 | C20 | H25 | 108.3° | 109.5° |
| C15 | C16 | C21 | 123.2° | 123.9° |
| C16 | C15 | C14 | 124.9° | 123.0° |
| C16 | C15 | H18 | 117.5° | 118.5° |
| C16 | C21 | C20 | 108.6° | 109.4° |
| C16 | C21 | C22 | 108.1° | 108.2° |
| C16 | C21 | C23 | 109.9° | 113.9° |
| C20 | C21 | C22 | 109.8° | 108.1° |
| C20 | C21 | C23 | 108.7° | 110.3° |
| C21 | C20 | H24 | 108.3° | 109.5° |
| C21 | C20 | H25 | 108.3° | 109.5° |
| C22 | C21 | C23 | 111.7° | 106.7° |
| C21 | C22 | H26 | 109.5° | 109.4° |
| C21 | C22 | H27 | 109.5° | 109.4° |
| C21 | C22 | H28 | 109.5° | 109.5° |
| C15 | C14 | C13 | 112.3° | 109.2° |
| C15 | C14 | H16 | 108.7° | 109.5° |
| C15 | C14 | H17 | 108.8° | 109.6° |
| C14 | C15 | H18 | 117.5° | 118.5° |
| C21 | C23 | C13 | 112.4° | 110.5° |
| C21 | C23 | C24 | 112.7° | 109.7° |
| C21 | C23 | H29 | 106.2° | 108.4° |
| C14 | C13 | C23 | 109.0° | 109.0° |
| C14 | C13 | C12 | 110.6° | 109.5° |
| C14 | C13 | H15 | 109.0° | 110.2° |
| C13 | C14 | H16 | 108.8° | 109.5° |
| C13 | C14 | H17 | 108.7° | 109.6° |
| C13 | C23 | C24 | 112.4° | 113.1° |
| C23 | C13 | C12 | 110.4° | 107.5° |
| C23 | C13 | H15 | 108.8° | 110.3° |
| C13 | C23 | H29 | 106.3° | 107.1° |
| C23 | C24 | C25 | 112.8° | 111.7° |
| C24 | C23 | H29 | 106.3° | 107.9° |
| C23 | C24 | H30 | 108.6° | 109.1° |
| C23 | C24 | H31 | 108.6° | 109.0° |
| C13 | C12 | C11 | 119.0° | 115.8° |
| C13 | C12 | C26 | 116.1° | 107.3° |
| C13 | C12 | H14 | 105.7° | 110.9° |
| C12 | C13 | H15 | 109.0° | 110.2° |
| C24 | C25 | C26 | 111.4° | 107.5° |
| C25 | C24 | H30 | 108.6° | 109.0° |
| C25 | C24 | H31 | 108.6° | 109.0° |
| C24 | C25 | H32 | 109.0° | 109.9° |
| C24 | C25 | H33 | 109.0° | 109.9° |
| C11 | C12 | C26 | 103.9° | 101.7° |
| C12 | C11 | C10 | 103.8° | 102.9° |
| C12 | C11 | H12 | 110.9° | 110.7° |
| C12 | C11 | H13 | 110.9° | 110.9° |
| C11 | C12 | H14 | 105.6° | 110.3° |
| C12 | C26 | C25 | 107.3° | 107.5° |
| C12 | C26 | C27 | 112.2° | 109.9° |
| C12 | C26 | C9 | 98.4° | 103.2° |
| C26 | C12 | H14 | 105.5° | 110.5° |
| C25 | C26 | C27 | 111.2° | 109.0° |
| C25 | C26 | C9 | 117.0° | 116.8° |
| C26 | C25 | H32 | 109.0° | 107.8° |
| C26 | C25 | H33 | 109.0° | 111.6° |
| C27 | C26 | C9 | 110.0° | 110.1° |
| C26 | C27 | H34 | 109.5° | 109.4° |
| C26 | C27 | H35 | 109.5° | 109.5° |
| C26 | C27 | H36 | 109.5° | 109.5° |
| C11 | C10 | C9 | 106.3° | 106.4° |
| C11 | C10 | H10 | 110.3° | 110.1° |
| C11 | C10 | H11 | 110.2° | 110.1° |
| C10 | C11 | H12 | 110.9° | 110.7° |
| C10 | C11 | H13 | 110.9° | 110.7° |
| C26 | C9 | C10 | 101.8° | 105.3° |
| C26 | C9 | C7 | 120.0° | 110.2° |
| C26 | C9 | H45 | 107.1° | 110.3° |
| C10 | C9 | C7 | 112.9° | 110.3° |
| C9 | C10 | H10 | 110.3° | 110.1° |
| C9 | C10 | H11 | 110.3° | 110.1° |
| C10 | C9 | H45 | 107.1° | 110.4° |
| C9 | C7 | C8 | 113.0° | 109.5° |
| C9 | C7 | C6 | 110.6° | 109.4° |
| C9 | C7 | H41 | 107.7° | 109.5° |
| C7 | C9 | H45 | 107.2° | 110.3° |
| C8 | C7 | C6 | 109.9° | 109.5° |
| C8 | C7 | H41 | 107.8° | 109.5° |
| C7 | C8 | H42 | 109.5° | 109.5° |
| C7 | C8 | H43 | 109.5° | 109.4° |
| C7 | C8 | H44 | 109.5° | 109.5° |
| C7 | C6 | C5 | 114.0° | 109.5° |
| C7 | C6 | H39 | 108.3° | 109.5° |
| C7 | C6 | H40 | 108.3° | 109.5° |
| C6 | C7 | H41 | 107.7° | 109.4° |
| C6 | C5 | C4 | 115.7° | 109.5° |
| C6 | C5 | H37 | 107.9° | 109.5° |
| C6 | C5 | H38 | 107.9° | 109.5° |
| C5 | C6 | H39 | 108.3° | 109.5° |
| C5 | C6 | H40 | 108.4° | 109.4° |
| C5 | C4 | O1 | 106.5° | 109.5° |
| C5 | C4 | C2 | 112.6° | 109.5° |
| C5 | C4 | H2 | 109.8° | 109.5° |
| C4 | C5 | H37 | 107.9° | 109.5° |
| C4 | C5 | H38 | 107.9° | 109.4° |
| O1 | C4 | C2 | 107.1° | 109.5° |
| C4 | O1 | H1 | 109.5° | 114.0° |
| O1 | C4 | H2 | 111.1° | 109.5° |
| C4 | C2 | C1 | 110.2° | 109.5° |
| C4 | C2 | C3 | 111.5° | 109.5° |
| C2 | C4 | H2 | 109.6° | 109.5° |
| C4 | C2 | H3 | 108.2° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C3 | C2 | H3 | 108.4° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H4 | C1 | H6 | 109.4° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.4° |
| H7 | C3 | H9 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 110.1° |
| H12 | C11 | H13 | 109.5° | 110.7° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.7° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.6° |
| H30 | C24 | H31 | 109.5° | 109.0° |
| H32 | C25 | H33 | 109.5° | 110.0° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H36 | 109.5° | 109.4° |
| H35 | C27 | H36 | 109.4° | 109.5° |
| H37 | C5 | H38 | 109.5° | 109.4° |
| H39 | C6 | H40 | 109.5° | 109.5° |
| H42 | C8 | H43 | 109.5° | 109.5° |
| H42 | C8 | H44 | 109.5° | 109.5° |
| H43 | C8 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C18 | C17 | C19 | 122.6° | 120.0° |
| O2 | C18 | C17 | H21 | 119.4° | 120.0° |
| O2 | C18 | C19 | H21 | 119.2° | 120.0° |
| O2 | C18 | C17 | C16 | 177.0° | 175.2° |
| O2 | C18 | C19 | C20 | 179.7° | 176.3° |
| O2 | C18 | C17 | H19 | 56.6° | 65.1° |
| O2 | C18 | C17 | H20 | 62.7° | 55.4° |
| O2 | C18 | C19 | H22 | 60.0° | 56.2° |
| O2 | C18 | C19 | H23 | 59.5° | 63.6° |
| C17 | C18 | C19 | H21 | 117.9° | 120.0° |
| C18 | C17 | C16 | H19 | 120.4° | 119.7° |
| C18 | C17 | C16 | H20 | 120.3° | 119.8° |
| C17 | C18 | C19 | C20 | 56.9° | 63.7° |
| C18 | C17 | C16 | C15 | 127.6° | 128.4° |
| C18 | C17 | C16 | C21 | 51.9° | 51.5° |
| C18 | C17 | H19 | H20 | 118.9° | 120.5° |
| C17 | C18 | C19 | H22 | 177.1° | 176.3° |
| C17 | C18 | C19 | H23 | 63.4° | 56.4° |
| C17 | C18 | O2 | H46 | 180.0° | 60.0° |
| C19 | C18 | C17 | C16 | 54.3° | 55.2° |
| C18 | C19 | C20 | H22 | 120.3° | 120.0° |
| C18 | C19 | C20 | H23 | 120.3° | 120.1° |
| C18 | C19 | C20 | C21 | 56.5° | 62.8° |
| C19 | C18 | C17 | H19 | 66.0° | 174.9° |
| C19 | C18 | C17 | H20 | 174.7° | 64.6° |
| C18 | C19 | H22 | H23 | 119.2° | 119.9° |
| C18 | C19 | C20 | H24 | 64.2° | 57.2° |
| C18 | C19 | C20 | H25 | 177.3° | 177.2° |
| C19 | C18 | O2 | H46 | 57.4° | 180.0° |
| C17 | C16 | C15 | C21 | 179.4° | 179.9° |
| C17 | C16 | C21 | C20 | 48.0° | 51.2° |
| C17 | C16 | C21 | C22 | 71.1° | 66.3° |
| C17 | C16 | C15 | C14 | 178.6° | 179.6° |
| C17 | C16 | C21 | C23 | 166.8° | 175.2° |
| C17 | C16 | C15 | H18 | 1.4° | 0.5° |
| C16 | C17 | H19 | H20 | 118.9° | 120.5° |
| C16 | C17 | C18 | H21 | 63.7° | 64.8° |
| C19 | C20 | C21 | C16 | 50.0° | 54.3° |
| C19 | C20 | C21 | H24 | 120.7° | 120.0° |
| C19 | C20 | C21 | H25 | 120.7° | 120.0° |
| C19 | C20 | C21 | C22 | 68.0° | 63.3° |
| C19 | C20 | C21 | C23 | 169.6° | 179.7° |
| C20 | C19 | C18 | H21 | 61.0° | 56.3° |
| C20 | C19 | H22 | H23 | 119.2° | 119.9° |
| C19 | C20 | H24 | H25 | 117.8° | 120.0° |
| C15 | C16 | C21 | C20 | 131.4° | 128.7° |
| C15 | C16 | C21 | C22 | 109.5° | 113.8° |
| C16 | C15 | C14 | H18 | 180.0° | 180.0° |
| C15 | C16 | C21 | C23 | 12.6° | 4.7° |
| C16 | C15 | C14 | C13 | 15.2° | 26.4° |
| C16 | C15 | C14 | H16 | 135.6° | 93.4° |
| C16 | C15 | C14 | H17 | 105.2° | 146.4° |
| C15 | C16 | C17 | H19 | 112.1° | 8.7° |
| C15 | C16 | C17 | H20 | 7.2° | 111.8° |
| C16 | C21 | C20 | C22 | 118.0° | 117.6° |
| C16 | C21 | C20 | C23 | 119.6° | 126.1° |
| C16 | C21 | C22 | C23 | 121.1° | 123.0° |
| C21 | C16 | C15 | C14 | 2.0° | 0.3° |
| C16 | C21 | C23 | C13 | 44.4° | 35.0° |
| C16 | C21 | C23 | C24 | 172.6° | 160.4° |
| C21 | C16 | C15 | H18 | 178.0° | 179.6° |
| C21 | C16 | C17 | H19 | 68.5° | 171.2° |
| C21 | C16 | C17 | H20 | 172.2° | 68.3° |
| C16 | C21 | C20 | H24 | 70.7° | 65.7° |
| C16 | C21 | C20 | H25 | 170.7° | 174.3° |
| C16 | C21 | C22 | H26 | 180.0° | 67.8° |
| C16 | C21 | C22 | H27 | 60.0° | 172.2° |
| C16 | C21 | C22 | H28 | 60.0° | 52.2° |
| C16 | C21 | C23 | H29 | 71.4° | 82.0° |
| C20 | C21 | C22 | C23 | 120.7° | 118.7° |
| C20 | C21 | C23 | C13 | 163.1° | 158.5° |
| C20 | C21 | C23 | C24 | 68.6° | 76.1° |
| C21 | C20 | C19 | H22 | 176.8° | 177.2° |
| C21 | C20 | C19 | H23 | 63.7° | 57.3° |
| C21 | C20 | H24 | H25 | 117.8° | 120.1° |
| C20 | C21 | C22 | H26 | 61.7° | 173.8° |
| C20 | C21 | C22 | H27 | 58.3° | 53.9° |
| C20 | C21 | C22 | H28 | 178.2° | 66.2° |
| C20 | C21 | C23 | H29 | 47.4° | 41.5° |
| C22 | C21 | C23 | C13 | 75.6° | 84.3° |
| C22 | C21 | C23 | C24 | 52.6° | 41.1° |
| C22 | C21 | C20 | H24 | 171.3° | 176.7° |
| C22 | C21 | C20 | H25 | 52.7° | 56.7° |
| C21 | C22 | H26 | H27 | 120.0° | 119.9° |
| C21 | C22 | H26 | H28 | 120.0° | 119.9° |
| C21 | C22 | H27 | H28 | 120.0° | 120.0° |
| C22 | C21 | C23 | H29 | 168.6° | 158.7° |
| C15 | C14 | C13 | H16 | 120.4° | 119.8° |
| C15 | C14 | C13 | H17 | 120.5° | 120.0° |
| C15 | C14 | C13 | C23 | 45.4° | 55.7° |
| C15 | C14 | C13 | C12 | 167.0° | 173.0° |
| C15 | C14 | C13 | H15 | 73.2° | 65.5° |
| C15 | C14 | H16 | H17 | 118.7° | 120.2° |
| C21 | C23 | C13 | C14 | 62.0° | 61.3° |
| C21 | C23 | C13 | C24 | 128.4° | 123.4° |
| C21 | C23 | C13 | H29 | 115.7° | 117.8° |
| C21 | C23 | C24 | H29 | 115.9° | 117.9° |
| C21 | C23 | C13 | C12 | 176.3° | 179.9° |
| C21 | C23 | C24 | C25 | 179.7° | 176.9° |
| C21 | C23 | C13 | H15 | 56.7° | 59.9° |
| C23 | C21 | C20 | H24 | 48.9° | 60.4° |
| C23 | C21 | C20 | H25 | 69.7° | 59.7° |
| C23 | C21 | C22 | H26 | 59.0° | 55.2° |
| C23 | C21 | C22 | H27 | 178.9° | 64.8° |
| C23 | C21 | C22 | H28 | 61.1° | 175.1° |
| C21 | C23 | C24 | H30 | 59.2° | 62.5° |
| C21 | C23 | C24 | H31 | 59.8° | 56.3° |
| C14 | C13 | C23 | C12 | 121.7° | 118.6° |
| C14 | C13 | C23 | H15 | 118.7° | 121.2° |
| C14 | C13 | C23 | C24 | 169.5° | 175.3° |
| C14 | C13 | C12 | H15 | 119.8° | 121.4° |
| C14 | C13 | C12 | C11 | 61.6° | 64.9° |
| C14 | C13 | C12 | C26 | 173.2° | 177.6° |
| C14 | C13 | C12 | H14 | 56.7° | 61.7° |
| C13 | C14 | H16 | H17 | 118.7° | 120.2° |
| C13 | C14 | C15 | H18 | 164.8° | 153.6° |
| C14 | C13 | C23 | H29 | 53.7° | 56.5° |
| C13 | C23 | C24 | H29 | 115.8° | 118.2° |
| C23 | C13 | C12 | H15 | 119.5° | 120.3° |
| C13 | C23 | C24 | C25 | 52.0° | 53.0° |
| C23 | C13 | C12 | C11 | 177.6° | 176.7° |
| C23 | C13 | C12 | C26 | 52.4° | 64.1° |
| C23 | C13 | C12 | H14 | 64.1° | 56.6° |
| C23 | C13 | C14 | H16 | 165.8° | 64.2° |
| C23 | C13 | C14 | H17 | 75.1° | 175.7° |
| C13 | C23 | C24 | H30 | 172.5° | 173.6° |
| C13 | C23 | C24 | H31 | 68.5° | 67.5° |
| C24 | C23 | C13 | C12 | 47.8° | 56.6° |
| C23 | C24 | C25 | H30 | 120.5° | 120.6° |
| C23 | C24 | C25 | H31 | 120.5° | 120.6° |
| C23 | C24 | C25 | C26 | 57.4° | 55.1° |
| C24 | C23 | C13 | H15 | 71.8° | 63.6° |
| C23 | C24 | H30 | H31 | 118.5° | 118.9° |
| C23 | C24 | C25 | H32 | 62.9° | 61.9° |
| C23 | C24 | C25 | H33 | 177.7° | 176.9° |
| C13 | C12 | C11 | C26 | 130.9° | 115.9° |
| C13 | C12 | C11 | H14 | 118.3° | 126.9° |
| C13 | C12 | C26 | H14 | 116.6° | 120.9° |
| C13 | C12 | C26 | C25 | 56.5° | 69.6° |
| C13 | C12 | C26 | C27 | 65.9° | 48.9° |
| C13 | C12 | C11 | C10 | 162.8° | 157.5° |
| C13 | C12 | C26 | C9 | 178.4° | 166.4° |
| C13 | C12 | C11 | H12 | 43.7° | 84.2° |
| C13 | C12 | C11 | H13 | 78.1° | 39.1° |
| C12 | C13 | C14 | H16 | 72.6° | 53.2° |
| C12 | C13 | C14 | H17 | 46.5° | 67.0° |
| C12 | C13 | C23 | H29 | 68.0° | 62.1° |
| C24 | C25 | C26 | C12 | 56.8° | 63.4° |
| C24 | C25 | C26 | H32 | 120.3° | 118.5° |
| C24 | C25 | C26 | H33 | 120.3° | 120.7° |
| C24 | C25 | C26 | C27 | 66.2° | 55.7° |
| C24 | C25 | C26 | C9 | 166.2° | 178.8° |
| C25 | C24 | C23 | H29 | 63.8° | 65.2° |
| C25 | C24 | H30 | H31 | 118.5° | 118.8° |
| C24 | C25 | H32 | H33 | 119.1° | 121.2° |
| C11 | C12 | C26 | H14 | 110.8° | 117.1° |
| C11 | C12 | C26 | C25 | 170.9° | 168.5° |
| C11 | C12 | C26 | C27 | 66.7° | 73.0° |
| C12 | C11 | C10 | H12 | 119.1° | 118.3° |
| C12 | C11 | C10 | H13 | 119.1° | 118.5° |
| C11 | C12 | C26 | C9 | 49.1° | 44.4° |
| C12 | C11 | C10 | C9 | 1.9° | 23.9° |
| C12 | C11 | C10 | H10 | 121.4° | 143.1° |
| C12 | C11 | C10 | H11 | 117.6° | 95.3° |
| C12 | C11 | H12 | H13 | 122.6° | 123.4° |
| C11 | C12 | C13 | H15 | 58.2° | 56.5° |
| C12 | C26 | C25 | C27 | 123.0° | 119.1° |
| C12 | C26 | C25 | C9 | 109.4° | 115.3° |
| C12 | C26 | C27 | C9 | 108.5° | 113.1° |
| C26 | C12 | C11 | C10 | 31.9° | 41.6° |
| C12 | C26 | C9 | C10 | 46.5° | 29.3° |
| C12 | C26 | C9 | C7 | 171.9° | 148.2° |
| C26 | C12 | C11 | H12 | 87.2° | 160.0° |
| C26 | C12 | C11 | H13 | 151.0° | 76.7° |
| C26 | C12 | C13 | H15 | 67.0° | 56.2° |
| C12 | C26 | C25 | H32 | 63.5° | 55.1° |
| C12 | C26 | C25 | H33 | 177.1° | 175.9° |
| C12 | C26 | C27 | H34 | 180.0° | 59.8° |
| C12 | C26 | C27 | H35 | 60.0° | 179.8° |
| C12 | C26 | C27 | H36 | 60.0° | 60.2° |
| C12 | C26 | C9 | H45 | 65.7° | 89.8° |
| C25 | C26 | C27 | C9 | 131.3° | 129.4° |
| C25 | C26 | C9 | C10 | 160.9° | 147.0° |
| C25 | C26 | C9 | C7 | 73.7° | 94.1° |
| C25 | C26 | C12 | H14 | 60.1° | 51.4° |
| C26 | C25 | C24 | H30 | 178.0° | 175.8° |
| C26 | C25 | C24 | H31 | 63.1° | 65.4° |
| C26 | C25 | H32 | H33 | 119.1° | 121.9° |
| C25 | C26 | C27 | H34 | 59.8° | 177.3° |
| C25 | C26 | C27 | H35 | 60.2° | 62.6° |
| C25 | C26 | C27 | H36 | 179.8° | 57.4° |
| C25 | C26 | C9 | H45 | 48.7° | 27.9° |
| C27 | C26 | C9 | C10 | 70.9° | 88.0° |
| C27 | C26 | C9 | C7 | 54.5° | 30.9° |
| C27 | C26 | C12 | H14 | 177.5° | 169.9° |
| C27 | C26 | C25 | H32 | 173.5° | 174.1° |
| C27 | C26 | C25 | H33 | 54.1° | 65.0° |
| C26 | C27 | H34 | H35 | 120.0° | 120.1° |
| C26 | C27 | H34 | H36 | 120.0° | 119.9° |
| C26 | C27 | H35 | H36 | 120.0° | 120.0° |
| C27 | C26 | C9 | H45 | 176.9° | 152.9° |
| C11 | C10 | C9 | C26 | 28.2° | 3.5° |
| C11 | C10 | C9 | H10 | 119.5° | 119.2° |
| C11 | C10 | C9 | H11 | 119.5° | 119.2° |
| C11 | C10 | C9 | C7 | 158.2° | 122.4° |
| C11 | C10 | H10 | H11 | 121.5° | 121.5° |
| C10 | C11 | H12 | H13 | 122.6° | 123.1° |
| C10 | C11 | C12 | H14 | 78.9° | 75.6° |
| C11 | C10 | C9 | H45 | 84.0° | 115.5° |
| C26 | C9 | C10 | C7 | 130.0° | 118.9° |
| C26 | C9 | C10 | H45 | 112.2° | 119.0° |
| C26 | C9 | C7 | H45 | 122.3° | 122.0° |
| C26 | C9 | C7 | C8 | 78.4° | 65.8° |
| C26 | C9 | C7 | C6 | 157.9° | 174.2° |
| C26 | C9 | C10 | H10 | 91.3° | 115.7° |
| C26 | C9 | C10 | H11 | 147.7° | 122.8° |
| C9 | C26 | C12 | H14 | 61.8° | 72.7° |
| C9 | C26 | C25 | H32 | 45.9° | 60.3° |
| C9 | C26 | C25 | H33 | 73.5° | 60.6° |
| C9 | C26 | C27 | H34 | 71.5° | 53.3° |
| C9 | C26 | C27 | H35 | 168.5° | 66.8° |
| C9 | C26 | C27 | H36 | 48.5° | 173.2° |
| C26 | C9 | C7 | H41 | 40.5° | 54.2° |
| C10 | C9 | C7 | H45 | 117.7° | 122.2° |
| C10 | C9 | C7 | C8 | 161.6° | 178.3° |
| C10 | C9 | C7 | C6 | 38.0° | 58.3° |
| C9 | C10 | H10 | H11 | 121.5° | 121.5° |
| C9 | C10 | C11 | H12 | 117.2° | 142.2° |
| C9 | C10 | C11 | H13 | 121.0° | 94.6° |
| C10 | C9 | C7 | H41 | 79.5° | 61.6° |
| C9 | C7 | C8 | C6 | 124.0° | 120.0° |
| C9 | C7 | C8 | H41 | 118.9° | 120.1° |
| C9 | C7 | C6 | H41 | 117.4° | 120.0° |
| C9 | C7 | C6 | C5 | 177.8° | 175.0° |
| C7 | C9 | C10 | H10 | 38.7° | 3.2° |
| C7 | C9 | C10 | H11 | 82.3° | 118.4° |
| C9 | C7 | C6 | H39 | 57.2° | 65.0° |
| C9 | C7 | C6 | H40 | 61.5° | 55.0° |
| C9 | C7 | C8 | H42 | 180.0° | 64.0° |
| C9 | C7 | C8 | H43 | 60.0° | 176.0° |
| C9 | C7 | C8 | H44 | 60.0° | 56.1° |
| C8 | C7 | C6 | H41 | 117.2° | 120.0° |
| C8 | C7 | C6 | C5 | 56.8° | 65.0° |
| C8 | C7 | C6 | H39 | 177.4° | 55.0° |
| C8 | C7 | C6 | H40 | 63.9° | 175.0° |
| C7 | C8 | H42 | H43 | 120.0° | 120.0° |
| C7 | C8 | H42 | H44 | 120.0° | 120.0° |
| C7 | C8 | H43 | H44 | 120.0° | 120.0° |
| C8 | C7 | C9 | H45 | 43.9° | 56.1° |
| C7 | C6 | C5 | H39 | 120.7° | 120.0° |
| C7 | C6 | C5 | H40 | 120.7° | 120.0° |
| C7 | C6 | C5 | C4 | 165.0° | 180.0° |
| C7 | C6 | C5 | H37 | 74.0° | 60.0° |
| C7 | C6 | C5 | H38 | 44.2° | 60.0° |
| C7 | C6 | H39 | H40 | 117.9° | 120.0° |
| C6 | C7 | C8 | H42 | 56.0° | 176.1° |
| C6 | C7 | C8 | H43 | 64.0° | 56.1° |
| C6 | C7 | C8 | H44 | 176.0° | 63.9° |
| C6 | C7 | C9 | H45 | 79.7° | 63.8° |
| C6 | C5 | C4 | H37 | 120.9° | 120.1° |
| C6 | C5 | C4 | H38 | 120.9° | 120.0° |
| C6 | C5 | C4 | O1 | 60.4° | 65.0° |
| C6 | C5 | C4 | C2 | 177.5° | 175.0° |
| C6 | C5 | C4 | H2 | 60.0° | 55.0° |
| C6 | C5 | H37 | H38 | 117.2° | 120.0° |
| C5 | C6 | H39 | H40 | 118.0° | 120.0° |
| C5 | C6 | C7 | H41 | 60.4° | 55.0° |
| C5 | C4 | O1 | C2 | 120.7° | 120.0° |
| C5 | C4 | O1 | H2 | 119.6° | 120.0° |
| C5 | C4 | C2 | H2 | 122.6° | 120.0° |
| C5 | C4 | C2 | C1 | 45.6° | 65.0° |
| C5 | C4 | C2 | C3 | 168.2° | 175.0° |
| C5 | C4 | O1 | H1 | 180.0° | 60.0° |
| C5 | C4 | C2 | H3 | 72.7° | 55.0° |
| C4 | C5 | H37 | H38 | 117.2° | 119.9° |
| C4 | C5 | C6 | H39 | 44.4° | 60.0° |
| C4 | C5 | C6 | H40 | 74.3° | 60.0° |
| O1 | C4 | C2 | H2 | 120.6° | 120.0° |
| O1 | C4 | C2 | C1 | 71.2° | 55.0° |
| O1 | C4 | C2 | C3 | 51.4° | 65.0° |
| O1 | C4 | C2 | H3 | 170.5° | 175.0° |
| O1 | C4 | C5 | H37 | 178.7° | 55.0° |
| O1 | C4 | C5 | H38 | 60.5° | 175.0° |
| C4 | C2 | C1 | C3 | 123.4° | 120.0° |
| C4 | C2 | C1 | H3 | 118.3° | 120.0° |
| C4 | C2 | C3 | H3 | 119.0° | 120.0° |
| C2 | C4 | O1 | H1 | 59.3° | 60.0° |
| C4 | C2 | C1 | H4 | 180.0° | 180.0° |
| C4 | C2 | C1 | H5 | 60.0° | 60.0° |
| C4 | C2 | C1 | H6 | 60.0° | 60.0° |
| C4 | C2 | C3 | H7 | 180.0° | 60.0° |
| C4 | C2 | C3 | H8 | 60.0° | 180.0° |
| C4 | C2 | C3 | H9 | 60.0° | 60.0° |
| C2 | C4 | C5 | H37 | 61.6° | 65.0° |
| C2 | C4 | C5 | H38 | 56.6° | 55.0° |
| C1 | C2 | C3 | H3 | 118.4° | 120.0° |
| C1 | C2 | C4 | H2 | 168.2° | 175.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | H7 | 57.4° | 180.0° |
| C1 | C2 | C3 | H8 | 62.6° | 60.0° |
| C1 | C2 | C3 | H9 | 177.4° | 60.0° |
| C3 | C2 | C4 | H2 | 69.2° | 55.0° |
| C3 | C2 | C1 | H4 | 56.6° | 60.0° |
| C3 | C2 | C1 | H5 | 176.7° | 180.0° |
| C3 | C2 | C1 | H6 | 63.3° | 60.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C2 | C3 | H7 | H9 | 120.0° | 120.0° |
| C2 | C3 | H8 | H9 | 120.0° | 120.1° |
| H1 | O1 | C4 | H2 | 60.4° | 180.0° |
| H2 | C4 | C2 | H3 | 49.9° | 65.0° |
| H2 | C4 | C5 | H37 | 60.9° | 175.1° |
| H2 | C4 | C5 | H38 | 179.1° | 65.0° |
| H3 | C2 | C1 | H4 | 61.8° | 60.0° |
| H3 | C2 | C1 | H5 | 58.3° | 60.0° |
| H3 | C2 | C1 | H6 | 178.3° | 179.9° |
| H3 | C2 | C3 | H7 | 61.0° | 60.0° |
| H3 | C2 | C3 | H8 | 179.0° | 59.9° |
| H3 | C2 | C3 | H9 | 59.0° | 180.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H7 | C3 | H8 | H9 | 120.0° | 120.0° |
| H10 | C10 | C11 | H12 | 2.3° | 98.5° |
| H10 | C10 | C11 | H13 | 119.5° | 24.6° |
| H10 | C10 | C9 | H45 | 156.5° | 125.2° |
| H11 | C10 | C11 | H12 | 123.3° | 23.0° |
| H11 | C10 | C11 | H13 | 1.5° | 146.2° |
| H11 | C10 | C9 | H45 | 35.5° | 3.7° |
| H12 | C11 | C12 | H14 | 162.1° | 42.7° |
| H13 | C11 | C12 | H14 | 40.3° | 166.0° |
| H14 | C12 | C13 | H15 | 176.5° | 176.9° |
| H15 | C13 | C14 | H16 | 47.2° | 174.6° |
| H15 | C13 | C14 | H17 | 166.3° | 54.5° |
| H15 | C13 | C23 | H29 | 172.4° | 177.7° |
| H16 | C14 | C15 | H18 | 44.4° | 86.6° |
| H17 | C14 | C15 | H18 | 74.8° | 33.6° |
| H19 | C17 | C18 | H21 | 176.0° | 54.9° |
| H20 | C17 | C18 | H21 | 56.7° | 175.4° |
| H21 | C18 | C19 | H22 | 59.2° | 63.8° |
| H21 | C18 | C19 | H23 | 178.7° | 176.3° |
| H21 | C18 | O2 | H46 | 61.3° | 60.0° |
| H22 | C19 | C20 | H24 | 56.1° | 62.9° |
| H22 | C19 | C20 | H25 | 62.5° | 57.1° |
| H23 | C19 | C20 | H24 | 175.6° | 177.3° |
| H23 | C19 | C20 | H25 | 57.0° | 62.7° |
| H26 | C22 | H27 | H28 | 120.0° | 120.1° |
| H29 | C23 | C24 | H30 | 56.7° | 55.3° |
| H29 | C23 | C24 | H31 | 175.7° | 174.2° |
| H30 | C24 | C25 | H32 | 57.7° | 58.7° |
| H30 | C24 | C25 | H33 | 61.8° | 62.5° |
| H31 | C24 | C25 | H32 | 176.6° | 177.5° |
| H31 | C24 | C25 | H33 | 57.2° | 56.3° |
| H34 | C27 | H35 | H36 | 120.0° | 120.0° |
| H37 | C5 | C6 | H39 | 165.3° | 180.0° |
| H37 | C5 | C6 | H40 | 46.6° | 60.0° |
| H38 | C5 | C6 | H39 | 76.5° | 60.0° |
| H38 | C5 | C6 | H40 | 164.8° | 180.0° |
| H39 | C6 | C7 | H41 | 60.3° | 175.0° |
| H40 | C6 | C7 | H41 | 178.9° | 65.0° |
| H41 | C7 | C8 | H42 | 61.2° | 56.1° |
| H41 | C7 | C8 | H43 | 178.8° | 63.9° |
| H41 | C7 | C8 | H44 | 58.8° | 176.1° |
| H41 | C7 | C9 | H45 | 162.8° | 176.2° |
| H42 | C8 | H43 | H44 | 120.0° | 120.0° |
