5JK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C7 | sing | 1.43Å | 1.44Å | |
| O1 | C3 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.52Å | 1.50Å | |
| C6 | C7 | sing | 1.50Å | 1.50Å | |
| C6 | C5 | doub | 1.30Å | 1.36Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | C10 | sing | 1.50Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C8 | C14 | sing | 1.52Å | 1.53Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.55Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.52Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| C10 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | C13 | sing | 1.52Å | 1.54Å | |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.52Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| C8 | 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 | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C7 | C6 | 102.1° | 109.5° |
| O2 | C7 | C8 | 111.0° | 109.5° |
| O2 | C7 | H23 | 111.1° | 109.5° |
| C7 | O2 | H24 | 109.5° | 114.0° |
| O1 | C3 | C4 | 110.0° | 109.5° |
| O1 | C3 | C2 | 110.1° | 109.5° |
| O1 | C3 | H16 | 109.0° | 109.5° |
| C3 | O1 | H17 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.5° | 108.4° |
| C4 | C3 | C2 | 112.1° | 109.4° |
| C4 | C3 | H16 | 107.8° | 109.5° |
| C3 | C4 | H18 | 108.2° | 109.7° |
| C3 | C4 | H19 | 108.2° | 109.6° |
| C4 | C5 | C6 | 116.6° | 118.3° |
| C4 | C5 | C10 | 121.3° | 117.8° |
| C5 | C4 | H18 | 108.2° | 109.7° |
| C5 | C4 | H19 | 108.2° | 109.7° |
| C7 | C6 | C5 | 120.4° | 123.0° |
| C6 | C7 | C8 | 112.7° | 109.2° |
| C7 | C6 | H21 | 119.8° | 118.5° |
| C6 | C7 | H23 | 110.1° | 109.5° |
| C6 | C5 | C10 | 122.0° | 123.9° |
| C5 | C6 | H21 | 119.8° | 118.5° |
| C7 | C8 | C14 | 113.4° | 109.5° |
| C7 | C8 | C9 | 108.3° | 108.1° |
| C8 | C7 | H23 | 109.8° | 109.5° |
| C7 | C8 | H25 | 108.4° | 110.3° |
| C3 | C2 | C1 | 107.1° | 109.7° |
| C3 | C2 | H14 | 110.0° | 109.4° |
| C3 | C2 | H15 | 110.0° | 109.4° |
| C2 | C3 | H16 | 107.8° | 109.5° |
| C5 | C10 | C9 | 109.0° | 113.3° |
| C5 | C10 | C1 | 111.0° | 109.5° |
| C5 | C10 | C19 | 103.8° | 107.6° |
| C14 | C15 | C16 | 103.2° | 102.9° |
| C15 | C14 | C8 | 118.1° | 115.8° |
| C15 | C14 | C13 | 103.9° | 101.7° |
| C15 | C14 | H26 | 106.6° | 110.9° |
| C14 | C15 | H27 | 111.0° | 110.8° |
| C14 | C15 | H28 | 111.0° | 110.7° |
| C15 | C16 | C17 | 107.4° | 106.4° |
| C16 | C15 | H27 | 111.0° | 110.7° |
| C16 | C15 | H28 | 111.0° | 110.7° |
| C15 | C16 | H29 | 110.0° | 110.1° |
| C15 | C16 | H30 | 110.0° | 110.0° |
| C14 | C8 | C9 | 109.9° | 107.6° |
| C8 | C14 | C13 | 114.8° | 107.3° |
| C14 | C8 | H25 | 108.4° | 110.3° |
| C8 | C14 | H26 | 106.4° | 110.4° |
| C8 | C9 | C10 | 112.1° | 110.5° |
| C8 | C9 | C11 | 112.5° | 111.8° |
| C8 | C9 | H8 | 106.6° | 107.9° |
| C9 | C8 | H25 | 108.3° | 111.0° |
| C14 | C13 | C17 | 98.8° | 103.5° |
| C14 | C13 | C12 | 105.9° | 107.0° |
| C14 | C13 | C18 | 113.2° | 109.9° |
| C13 | C14 | H26 | 106.3° | 110.4° |
| C2 | C1 | C10 | 114.1° | 109.3° |
| C2 | C1 | H12 | 108.3° | 109.5° |
| C2 | C1 | H13 | 108.3° | 109.5° |
| C1 | C2 | H14 | 110.1° | 109.4° |
| C1 | C2 | H15 | 110.0° | 109.4° |
| C10 | C9 | C11 | 112.1° | 109.8° |
| C9 | C10 | C1 | 106.8° | 110.0° |
| C9 | C10 | C19 | 114.0° | 108.2° |
| C10 | C9 | H8 | 106.7° | 108.4° |
| C9 | C11 | C12 | 114.7° | 111.7° |
| C9 | C11 | H6 | 108.1° | 109.0° |
| C9 | C11 | H7 | 108.1° | 109.0° |
| C11 | C9 | H8 | 106.4° | 108.3° |
| C16 | C17 | C13 | 103.1° | 105.2° |
| C16 | C17 | C20 | 112.1° | 110.3° |
| C17 | C16 | H29 | 110.0° | 109.9° |
| C17 | C16 | H30 | 110.0° | 110.3° |
| C16 | C17 | H31 | 106.9° | 110.3° |
| C1 | C10 | C19 | 112.3° | 108.1° |
| C10 | C1 | H12 | 108.3° | 109.5° |
| C10 | C1 | H13 | 108.3° | 109.5° |
| C10 | C19 | H9 | 109.5° | 109.5° |
| C10 | C19 | H10 | 109.5° | 109.5° |
| C10 | C19 | H11 | 109.5° | 109.4° |
| C13 | C17 | C20 | 120.5° | 110.6° |
| C17 | C13 | C12 | 114.9° | 116.4° |
| C17 | C13 | C18 | 110.9° | 109.9° |
| C13 | C17 | H31 | 106.8° | 110.1° |
| C17 | C20 | C22 | 111.5° | 109.5° |
| C17 | C20 | C21 | 112.2° | 109.5° |
| C20 | C17 | H31 | 106.7° | 110.3° |
| C17 | C20 | H32 | 108.1° | 109.5° |
| C12 | C13 | C18 | 112.4° | 109.8° |
| C13 | C12 | C11 | 112.1° | 107.1° |
| C13 | C12 | H4 | 108.8° | 109.9° |
| C13 | C12 | H5 | 108.8° | 109.9° |
| C13 | C18 | H1 | 109.5° | 109.5° |
| C13 | C18 | H2 | 109.5° | 109.4° |
| C13 | C18 | H3 | 109.5° | 109.5° |
| C11 | C12 | H4 | 108.8° | 109.9° |
| C11 | C12 | H5 | 108.8° | 110.0° |
| C12 | C11 | H6 | 108.2° | 109.0° |
| C12 | C11 | H7 | 108.1° | 109.1° |
| C20 | C22 | C23 | 113.7° | 109.5° |
| C22 | C20 | C21 | 108.3° | 109.5° |
| C22 | C20 | H32 | 108.3° | 109.4° |
| C20 | C22 | H36 | 108.4° | 109.4° |
| C20 | C22 | H37 | 108.4° | 109.4° |
| C22 | C23 | C24 | 110.2° | 109.5° |
| C23 | C22 | H36 | 108.4° | 109.5° |
| C23 | C22 | H37 | 108.4° | 109.5° |
| C22 | C23 | H38 | 109.3° | 109.5° |
| C22 | C23 | H39 | 109.3° | 109.5° |
| C23 | C24 | C25 | 113.6° | 109.5° |
| C24 | C23 | H38 | 109.3° | 109.5° |
| C24 | C23 | H39 | 109.3° | 109.4° |
| C23 | C24 | H40 | 108.4° | 109.5° |
| C23 | C24 | H41 | 108.4° | 109.5° |
| C24 | C25 | C27 | 109.6° | 109.5° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C25 | C24 | H40 | 108.4° | 109.4° |
| C25 | C24 | H41 | 108.4° | 109.5° |
| C24 | C25 | H42 | 107.6° | 109.4° |
| C27 | C25 | C26 | 112.1° | 109.5° |
| C27 | C25 | H42 | 107.6° | 109.4° |
| C25 | C27 | H43 | 109.5° | 109.5° |
| C25 | C27 | H44 | 109.5° | 109.4° |
| C25 | C27 | H45 | 109.5° | 109.5° |
| C21 | C20 | H32 | 108.3° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 109.4° | 109.5° |
| C26 | C25 | H42 | 107.5° | 109.5° |
| C25 | C26 | H46 | 109.5° | 109.5° |
| C25 | C26 | H47 | 109.4° | 109.5° |
| C25 | C26 | H48 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H1 | C18 | H3 | 109.4° | 109.5° |
| H2 | C18 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.9° |
| H6 | C11 | H7 | 109.5° | 109.0° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.4° | 109.7° |
| H27 | C15 | H28 | 109.5° | 110.8° |
| H29 | C16 | H30 | 109.5° | 110.1° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H35 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.4° |
| H43 | C27 | H44 | 109.5° | 109.5° |
| H43 | C27 | H45 | 109.4° | 109.5° |
| H44 | C27 | H45 | 109.5° | 109.4° |
| H46 | C26 | H47 | 109.5° | 109.5° |
| H46 | C26 | H48 | 109.4° | 109.4° |
| H47 | C26 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C7 | C6 | C8 | 119.1° | 120.0° |
| O2 | C7 | C6 | H23 | 118.0° | 120.1° |
| O2 | C7 | C6 | C5 | 85.7° | 93.6° |
| O2 | C7 | C8 | H23 | 123.2° | 120.1° |
| O2 | C7 | C8 | C14 | 58.0° | 52.9° |
| O2 | C7 | C8 | C9 | 64.2° | 64.0° |
| O2 | C7 | C6 | H21 | 94.3° | 86.4° |
| O2 | C7 | C8 | H25 | 178.5° | 174.4° |
| O1 | C3 | C4 | C2 | 122.8° | 120.0° |
| O1 | C3 | C4 | H16 | 118.7° | 120.0° |
| O1 | C3 | C4 | C5 | 168.1° | 175.2° |
| O1 | C3 | C2 | H16 | 118.8° | 120.0° |
| O1 | C3 | C2 | C1 | 175.0° | 176.2° |
| O1 | C3 | C2 | H14 | 55.3° | 63.7° |
| O1 | C3 | C2 | H15 | 65.4° | 56.2° |
| O1 | C3 | C4 | H18 | 47.4° | 55.4° |
| O1 | C3 | C4 | H19 | 71.1° | 65.1° |
| C3 | C4 | C5 | H18 | 120.7° | 119.8° |
| C3 | C4 | C5 | H19 | 120.8° | 119.7° |
| C3 | C4 | C5 | C6 | 150.7° | 128.8° |
| C4 | C3 | C2 | H16 | 118.5° | 120.0° |
| C3 | C4 | C5 | C10 | 27.8° | 51.4° |
| C4 | C3 | C2 | C1 | 62.3° | 63.8° |
| C4 | C3 | C2 | H14 | 178.1° | 56.3° |
| C4 | C3 | C2 | H15 | 57.3° | 176.2° |
| C4 | C3 | O1 | H17 | 180.0° | 180.0° |
| C3 | C4 | H18 | H19 | 117.7° | 120.5° |
| C4 | C5 | C6 | C7 | 152.3° | 179.6° |
| C4 | C5 | C6 | C10 | 178.5° | 179.7° |
| C5 | C4 | C3 | C2 | 45.3° | 55.2° |
| C4 | C5 | C10 | C9 | 143.9° | 174.3° |
| C4 | C5 | C10 | C1 | 26.5° | 51.1° |
| C4 | C5 | C10 | C19 | 94.3° | 66.2° |
| C5 | C4 | C3 | H16 | 73.2° | 64.8° |
| C5 | C4 | H18 | H19 | 117.8° | 120.5° |
| C4 | C5 | C6 | H21 | 27.7° | 0.3° |
| C7 | C6 | C5 | H21 | 180.0° | 180.0° |
| C6 | C7 | C8 | H23 | 123.1° | 119.9° |
| C7 | C6 | C5 | C10 | 26.2° | 0.6° |
| C6 | C7 | C8 | C14 | 171.7° | 172.9° |
| C6 | C7 | C8 | C9 | 49.5° | 56.0° |
| C6 | C7 | O2 | H24 | 180.0° | 59.9° |
| C6 | C7 | C8 | H25 | 67.8° | 65.6° |
| C5 | C6 | C7 | C8 | 33.4° | 26.4° |
| C6 | C5 | C10 | C9 | 34.6° | 6.0° |
| C6 | C5 | C10 | C1 | 151.9° | 129.2° |
| C6 | C5 | C10 | C19 | 87.3° | 113.5° |
| C6 | C5 | C4 | H18 | 88.6° | 111.4° |
| C6 | C5 | C4 | H19 | 29.9° | 9.2° |
| C5 | C6 | C7 | H23 | 156.3° | 146.3° |
| C7 | C8 | C14 | C15 | 57.9° | 66.1° |
| C7 | C8 | C14 | C9 | 121.4° | 117.3° |
| C7 | C8 | C14 | H25 | 120.4° | 121.5° |
| C7 | C8 | C9 | H25 | 117.4° | 121.1° |
| C7 | C8 | C14 | C13 | 179.0° | 178.8° |
| C7 | C8 | C9 | C10 | 61.8° | 62.9° |
| C7 | C8 | C9 | C11 | 170.8° | 174.5° |
| C7 | C8 | C9 | H8 | 54.5° | 55.5° |
| C8 | C7 | C6 | H21 | 146.6° | 153.6° |
| C8 | C7 | O2 | H24 | 59.7° | 179.7° |
| C7 | C8 | C14 | H26 | 61.7° | 60.9° |
| C3 | C2 | C1 | H14 | 119.6° | 120.1° |
| C3 | C2 | C1 | H15 | 119.6° | 120.0° |
| C3 | C2 | C1 | C10 | 63.2° | 62.8° |
| C3 | C2 | C1 | H12 | 57.6° | 177.2° |
| C3 | C2 | C1 | H13 | 176.2° | 57.1° |
| C3 | C2 | H14 | H15 | 121.1° | 119.9° |
| C2 | C3 | O1 | H17 | 56.1° | 60.0° |
| C2 | C3 | C4 | H18 | 75.4° | 64.6° |
| C2 | C3 | C4 | H19 | 166.1° | 174.9° |
| C5 | C10 | C9 | C8 | 52.2° | 37.1° |
| C5 | C10 | C1 | C2 | 44.5° | 54.2° |
| C5 | C10 | C9 | C1 | 120.0° | 122.9° |
| C5 | C10 | C9 | C19 | 115.4° | 119.2° |
| C5 | C10 | C9 | C11 | 179.9° | 160.9° |
| C5 | C10 | C1 | C19 | 115.7° | 117.0° |
| C5 | C10 | C9 | H8 | 64.0° | 81.0° |
| C5 | C10 | C19 | H9 | 180.0° | 177.3° |
| C5 | C10 | C19 | H10 | 60.0° | 57.2° |
| C5 | C10 | C19 | H11 | 60.0° | 62.7° |
| C5 | C10 | C1 | H12 | 76.2° | 174.2° |
| C5 | C10 | C1 | H13 | 165.2° | 65.7° |
| C10 | C5 | C4 | H18 | 92.9° | 68.3° |
| C10 | C5 | C4 | H19 | 148.6° | 171.1° |
| C10 | C5 | C6 | H21 | 153.8° | 179.4° |
| C14 | C15 | C16 | H27 | 119.0° | 118.4° |
| C14 | C15 | C16 | H28 | 119.0° | 118.3° |
| C15 | C14 | C8 | C13 | 123.1° | 112.6° |
| C15 | C14 | C8 | H26 | 119.6° | 127.0° |
| C15 | C14 | C8 | C9 | 179.3° | 176.6° |
| C15 | C14 | C13 | H26 | 112.3° | 117.8° |
| C14 | C15 | C16 | C17 | 8.2° | 24.2° |
| C15 | C14 | C13 | C17 | 48.2° | 44.3° |
| C15 | C14 | C13 | C12 | 167.4° | 167.8° |
| C15 | C14 | C13 | C18 | 69.1° | 73.0° |
| C15 | C14 | C8 | H25 | 62.5° | 55.3° |
| C14 | C15 | H27 | H28 | 122.9° | 123.3° |
| C14 | C15 | C16 | H29 | 127.8° | 143.2° |
| C14 | C15 | C16 | H30 | 111.5° | 95.3° |
| C16 | C15 | C14 | C8 | 163.7° | 157.4° |
| C16 | C15 | C14 | C13 | 35.3° | 41.6° |
| C15 | C16 | C17 | H29 | 119.7° | 119.1° |
| C15 | C16 | C17 | H30 | 119.7° | 119.3° |
| C15 | C16 | C17 | C13 | 21.6° | 3.1° |
| C15 | C16 | C17 | C20 | 152.6° | 122.4° |
| C16 | C15 | C14 | H26 | 76.8° | 75.8° |
| C16 | C15 | H27 | H28 | 122.9° | 123.2° |
| C15 | C16 | H29 | H30 | 120.9° | 121.5° |
| C15 | C16 | C17 | H31 | 90.7° | 115.5° |
| C14 | C8 | C9 | H25 | 118.2° | 120.8° |
| C8 | C14 | C13 | H26 | 117.4° | 120.3° |
| C14 | C8 | C9 | C10 | 173.8° | 179.0° |
| C14 | C8 | C9 | C11 | 46.4° | 56.4° |
| C8 | C14 | C13 | C17 | 178.6° | 166.2° |
| C8 | C14 | C13 | C12 | 62.2° | 70.3° |
| C8 | C14 | C13 | C18 | 61.3° | 48.9° |
| C14 | C8 | C9 | H8 | 69.9° | 62.7° |
| C14 | C8 | C7 | H23 | 65.2° | 67.2° |
| C8 | C14 | C15 | H27 | 44.7° | 39.1° |
| C8 | C14 | C15 | H28 | 77.3° | 84.2° |
| C9 | C8 | C14 | C13 | 57.7° | 64.0° |
| C8 | C9 | C10 | C11 | 127.7° | 123.8° |
| C8 | C9 | C10 | H8 | 116.3° | 118.1° |
| C8 | C9 | C11 | H8 | 116.3° | 118.8° |
| C8 | C9 | C10 | C1 | 172.2° | 160.0° |
| C8 | C9 | C10 | C19 | 63.2° | 82.1° |
| C8 | C9 | C11 | C12 | 45.9° | 53.8° |
| C8 | C9 | C11 | H6 | 166.7° | 66.7° |
| C8 | C9 | C11 | H7 | 74.8° | 174.4° |
| C9 | C8 | C7 | H23 | 172.6° | 175.9° |
| C9 | C8 | C14 | H26 | 59.6° | 56.4° |
| C14 | C13 | C17 | C16 | 41.8° | 28.9° |
| C14 | C13 | C17 | C12 | 112.2° | 117.1° |
| C14 | C13 | C17 | C18 | 119.1° | 117.3° |
| C14 | C13 | C17 | C20 | 167.7° | 148.0° |
| C14 | C13 | C12 | C18 | 124.1° | 119.2° |
| C14 | C13 | C12 | C11 | 57.3° | 65.0° |
| C14 | C13 | C18 | H1 | 180.0° | 56.7° |
| C14 | C13 | C18 | H2 | 60.0° | 63.2° |
| C14 | C13 | C18 | H3 | 60.0° | 176.8° |
| C14 | C13 | C12 | H4 | 177.7° | 175.7° |
| C14 | C13 | C12 | H5 | 63.0° | 54.5° |
| C13 | C14 | C8 | H25 | 60.5° | 57.3° |
| C13 | C14 | C15 | H27 | 83.7° | 76.8° |
| C13 | C14 | C15 | H28 | 154.3° | 159.9° |
| C14 | C13 | C17 | H31 | 70.6° | 89.8° |
| C2 | C1 | C10 | C9 | 163.2° | 179.3° |
| C2 | C1 | C10 | H12 | 120.7° | 119.9° |
| C2 | C1 | C10 | H13 | 120.7° | 120.0° |
| C2 | C1 | C10 | C19 | 71.2° | 62.8° |
| C2 | C1 | H12 | H13 | 117.9° | 120.1° |
| C1 | C2 | H14 | H15 | 121.1° | 119.9° |
| C1 | C2 | C3 | H16 | 56.2° | 56.2° |
| C10 | C9 | C11 | H8 | 116.2° | 118.2° |
| C9 | C10 | C1 | C19 | 125.7° | 117.9° |
| C10 | C9 | C11 | C12 | 173.3° | 176.8° |
| C10 | C9 | C11 | H6 | 65.9° | 56.2° |
| C10 | C9 | C11 | H7 | 52.6° | 62.6° |
| C9 | C10 | C19 | H9 | 61.6° | 60.0° |
| C9 | C10 | C19 | H10 | 178.4° | 180.0° |
| C9 | C10 | C19 | H11 | 58.4° | 60.0° |
| C9 | C10 | C1 | H12 | 42.4° | 60.7° |
| C9 | C10 | C1 | H13 | 76.2° | 59.4° |
| C10 | C9 | C8 | H25 | 55.6° | 58.2° |
| C11 | C9 | C10 | C1 | 60.1° | 76.2° |
| C11 | C9 | C10 | C19 | 64.5° | 41.7° |
| C9 | C11 | C12 | C13 | 52.4° | 57.5° |
| C9 | C11 | C12 | H6 | 120.8° | 120.5° |
| C9 | C11 | C12 | H7 | 120.8° | 120.5° |
| C9 | C11 | C12 | H4 | 172.8° | 176.9° |
| C9 | C11 | C12 | H5 | 68.0° | 62.0° |
| C9 | C11 | H6 | H7 | 117.6° | 118.8° |
| C11 | C9 | C8 | H25 | 71.9° | 64.4° |
| C16 | C17 | C13 | C20 | 125.8° | 119.1° |
| C16 | C17 | C13 | H31 | 112.4° | 118.8° |
| C16 | C17 | C20 | H31 | 116.7° | 122.0° |
| C16 | C17 | C13 | C12 | 154.1° | 146.0° |
| C16 | C17 | C13 | C18 | 77.2° | 88.3° |
| C16 | C17 | C20 | C22 | 65.4° | 61.4° |
| C16 | C17 | C20 | C21 | 172.9° | 178.6° |
| C17 | C16 | C15 | H27 | 110.8° | 94.2° |
| C17 | C16 | C15 | H28 | 127.1° | 142.5° |
| C17 | C16 | H29 | H30 | 120.9° | 121.7° |
| C16 | C17 | C20 | H32 | 53.5° | 58.5° |
| C1 | C10 | C9 | H8 | 55.9° | 41.9° |
| C1 | C10 | C19 | H9 | 60.1° | 59.1° |
| C1 | C10 | C19 | H10 | 60.0° | 60.9° |
| C1 | C10 | C19 | H11 | 179.9° | 179.1° |
| C10 | C1 | H12 | H13 | 117.9° | 120.0° |
| C10 | C1 | C2 | H14 | 177.2° | 57.2° |
| C10 | C1 | C2 | H15 | 56.5° | 177.1° |
| C19 | C10 | C9 | H8 | 179.5° | 159.8° |
| C10 | C19 | H9 | H10 | 120.0° | 120.0° |
| C10 | C19 | H9 | H11 | 120.0° | 120.0° |
| C10 | C19 | H10 | H11 | 120.0° | 120.0° |
| C19 | C10 | C1 | H12 | 168.1° | 57.2° |
| C19 | C10 | C1 | H13 | 49.5° | 177.3° |
| C13 | C17 | C20 | H31 | 121.8° | 122.0° |
| C17 | C13 | C12 | C18 | 127.9° | 125.6° |
| C17 | C13 | C12 | C11 | 165.3° | 179.9° |
| C13 | C17 | C20 | C22 | 173.1° | 177.4° |
| C13 | C17 | C20 | C21 | 51.4° | 62.6° |
| C17 | C13 | C18 | H1 | 70.0° | 170.0° |
| C17 | C13 | C18 | H2 | 170.0° | 50.1° |
| C17 | C13 | C18 | H3 | 50.0° | 69.9° |
| C17 | C13 | C12 | H4 | 74.3° | 60.5° |
| C17 | C13 | C12 | H5 | 44.9° | 60.6° |
| C17 | C13 | C14 | H26 | 64.0° | 73.5° |
| C13 | C17 | C16 | H29 | 98.1° | 116.0° |
| C13 | C17 | C16 | H30 | 141.3° | 122.4° |
| C13 | C17 | C20 | H32 | 68.0° | 57.4° |
| C20 | C17 | C13 | C12 | 80.1° | 94.9° |
| C20 | C17 | C13 | C18 | 48.6° | 30.7° |
| C17 | C20 | C22 | C21 | 123.9° | 120.1° |
| C17 | C20 | C22 | H32 | 118.9° | 120.0° |
| C17 | C20 | C22 | C23 | 163.5° | 175.0° |
| C17 | C20 | C21 | H32 | 119.3° | 120.0° |
| C20 | C17 | C16 | H29 | 33.0° | 3.3° |
| C20 | C17 | C16 | H30 | 87.7° | 118.3° |
| C17 | C20 | C21 | H33 | 180.0° | 60.0° |
| C17 | C20 | C21 | H34 | 60.0° | 180.0° |
| C17 | C20 | C21 | H35 | 60.0° | 60.0° |
| C17 | C20 | C22 | H36 | 42.9° | 54.9° |
| C17 | C20 | C22 | H37 | 75.9° | 65.0° |
| C13 | C12 | C11 | H4 | 120.4° | 119.4° |
| C13 | C12 | C11 | H5 | 120.4° | 119.5° |
| C12 | C13 | C18 | H1 | 60.0° | 60.7° |
| C12 | C13 | C18 | H2 | 60.0° | 179.4° |
| C12 | C13 | C18 | H3 | 180.0° | 59.4° |
| C13 | C12 | H4 | H5 | 118.8° | 121.1° |
| C13 | C12 | C11 | H6 | 173.2° | 63.0° |
| C13 | C12 | C11 | H7 | 68.4° | 178.0° |
| C12 | C13 | C14 | H26 | 55.1° | 50.0° |
| C12 | C13 | C17 | H31 | 41.7° | 27.3° |
| C18 | C13 | C12 | C11 | 66.7° | 54.2° |
| C13 | C18 | H1 | H2 | 120.0° | 119.9° |
| C13 | C18 | H1 | H3 | 120.0° | 120.1° |
| C13 | C18 | H2 | H3 | 120.0° | 120.0° |
| C18 | C13 | C12 | H4 | 53.6° | 65.1° |
| C18 | C13 | C12 | H5 | 172.9° | 173.7° |
| C18 | C13 | C14 | H26 | 178.7° | 169.2° |
| C18 | C13 | C17 | H31 | 170.4° | 152.9° |
| C11 | C12 | H4 | H5 | 118.8° | 121.2° |
| C12 | C11 | H6 | H7 | 117.6° | 119.0° |
| C12 | C11 | C9 | H8 | 70.4° | 65.0° |
| C20 | C22 | C23 | H36 | 120.6° | 120.0° |
| C20 | C22 | C23 | H37 | 120.6° | 120.0° |
| C20 | C22 | C23 | C24 | 164.4° | 180.0° |
| C22 | C20 | C21 | H32 | 117.2° | 119.9° |
| C22 | C20 | C17 | H31 | 51.3° | 60.6° |
| C22 | C20 | C21 | H33 | 56.5° | 180.0° |
| C22 | C20 | C21 | H34 | 63.5° | 60.0° |
| C22 | C20 | C21 | H35 | 176.5° | 60.0° |
| C20 | C22 | H36 | H37 | 118.1° | 119.9° |
| C20 | C22 | C23 | H38 | 75.5° | 60.0° |
| C20 | C22 | C23 | H39 | 44.3° | 60.0° |
| C22 | C23 | C24 | H38 | 120.1° | 120.0° |
| C22 | C23 | C24 | H39 | 120.1° | 120.0° |
| C22 | C23 | C24 | C25 | 161.6° | 179.9° |
| C23 | C22 | C20 | C21 | 72.6° | 65.0° |
| C23 | C22 | C20 | H32 | 44.7° | 55.0° |
| C23 | C22 | H36 | H37 | 118.1° | 120.0° |
| C22 | C23 | H38 | H39 | 119.7° | 120.0° |
| C22 | C23 | C24 | H40 | 77.8° | 59.9° |
| C22 | C23 | C24 | H41 | 41.0° | 60.0° |
| C23 | C24 | C25 | H40 | 120.6° | 120.0° |
| C23 | C24 | C25 | H41 | 120.6° | 120.1° |
| C23 | C24 | C25 | C27 | 165.7° | 65.0° |
| C23 | C24 | C25 | C26 | 69.2° | 175.0° |
| C24 | C23 | C22 | H36 | 43.8° | 60.0° |
| C24 | C23 | C22 | H37 | 75.0° | 60.1° |
| C24 | C23 | H38 | H39 | 119.6° | 120.0° |
| C23 | C24 | H40 | H41 | 118.1° | 120.0° |
| C23 | C24 | C25 | H42 | 48.9° | 55.0° |
| C24 | C25 | C27 | C26 | 125.2° | 120.1° |
| C24 | C25 | C27 | H42 | 116.8° | 119.9° |
| C24 | C25 | C26 | H42 | 118.2° | 120.0° |
| C25 | C24 | C23 | H38 | 41.5° | 60.0° |
| C25 | C24 | C23 | H39 | 78.2° | 60.0° |
| C25 | C24 | H40 | H41 | 118.1° | 119.9° |
| C24 | C25 | C27 | H43 | 180.0° | 60.0° |
| C24 | C25 | C27 | H44 | 60.0° | 60.1° |
| C24 | C25 | C27 | H45 | 60.0° | 180.0° |
| C24 | C25 | C26 | H46 | 180.0° | 60.0° |
| C24 | C25 | C26 | H47 | 60.0° | 180.0° |
| C24 | C25 | C26 | H48 | 60.0° | 60.0° |
| C27 | C25 | C26 | H42 | 118.1° | 120.0° |
| C27 | C25 | C24 | H40 | 73.7° | 55.1° |
| C27 | C25 | C24 | H41 | 45.0° | 175.0° |
| C25 | C27 | H43 | H44 | 120.0° | 120.0° |
| C25 | C27 | H43 | H45 | 120.0° | 120.1° |
| C25 | C27 | H44 | H45 | 120.0° | 120.0° |
| C27 | C25 | C26 | H46 | 56.2° | 180.0° |
| C27 | C25 | C26 | H47 | 176.2° | 60.0° |
| C27 | C25 | C26 | H48 | 63.8° | 60.1° |
| C21 | C20 | C17 | H31 | 70.4° | 59.4° |
| C20 | C21 | H33 | H34 | 120.0° | 120.0° |
| C20 | C21 | H33 | H35 | 120.0° | 120.0° |
| C20 | C21 | H34 | H35 | 120.0° | 120.0° |
| C21 | C20 | C22 | H36 | 166.8° | 175.0° |
| C21 | C20 | C22 | H37 | 48.0° | 55.0° |
| C26 | C25 | C24 | H40 | 51.4° | 65.0° |
| C26 | C25 | C24 | H41 | 170.2° | 54.9° |
| C26 | C25 | C27 | H43 | 54.8° | 180.0° |
| C26 | C25 | C27 | H44 | 65.2° | 60.0° |
| C26 | C25 | C27 | H45 | 174.8° | 59.9° |
| C25 | C26 | H46 | H47 | 120.0° | 120.0° |
| C25 | C26 | H46 | H48 | 120.0° | 120.0° |
| C25 | C26 | H47 | H48 | 120.0° | 120.0° |
| H1 | C18 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C11 | H6 | 66.4° | 56.3° |
| H4 | C12 | C11 | H7 | 52.0° | 62.6° |
| H5 | C12 | C11 | H6 | 52.8° | 177.5° |
| H5 | C12 | C11 | H7 | 171.2° | 58.5° |
| H6 | C11 | C9 | H8 | 50.4° | 174.4° |
| H7 | C11 | C9 | H8 | 168.8° | 55.5° |
| H8 | C9 | C8 | H25 | 171.9° | 176.6° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C1 | C2 | H14 | 62.1° | 62.7° |
| H12 | C1 | C2 | H15 | 177.2° | 57.2° |
| H13 | C1 | C2 | H14 | 56.5° | 177.2° |
| H13 | C1 | C2 | H15 | 64.2° | 62.9° |
| H14 | C2 | C3 | H16 | 63.5° | 176.3° |
| H15 | C2 | C3 | H16 | 175.8° | 63.8° |
| H16 | C3 | O1 | H17 | 62.0° | 60.1° |
| H16 | C3 | C4 | H18 | 166.1° | 175.4° |
| H16 | C3 | C4 | H19 | 47.6° | 54.9° |
| H21 | C6 | C7 | H23 | 23.7° | 33.7° |
| H23 | C7 | O2 | H24 | 62.7° | 60.2° |
| H23 | C7 | C8 | H25 | 55.3° | 54.3° |
| H25 | C8 | C14 | H26 | 177.8° | 177.6° |
| H26 | C14 | C15 | H27 | 164.3° | 165.9° |
| H26 | C14 | C15 | H28 | 42.2° | 42.5° |
| H27 | C15 | C16 | H29 | 8.8° | 24.8° |
| H27 | C15 | C16 | H30 | 129.5° | 146.3° |
| H28 | C15 | C16 | H29 | 113.2° | 98.5° |
| H28 | C15 | C16 | H30 | 7.4° | 23.0° |
| H29 | C16 | C17 | H31 | 149.6° | 125.3° |
| H30 | C16 | C17 | H31 | 29.0° | 3.8° |
| H31 | C17 | C20 | H32 | 170.2° | 179.5° |
| H32 | C20 | C21 | H33 | 60.7° | 60.1° |
| H32 | C20 | C21 | H34 | 179.3° | 60.0° |
| H32 | C20 | C21 | H35 | 59.3° | 179.9° |
| H32 | C20 | C22 | H36 | 75.9° | 65.1° |
| H32 | C20 | C22 | H37 | 165.3° | 175.0° |
| H33 | C21 | H34 | H35 | 120.0° | 120.0° |
| H36 | C22 | C23 | H38 | 163.9° | 180.0° |
| H36 | C22 | C23 | H39 | 76.3° | 60.0° |
| H37 | C22 | C23 | H38 | 45.1° | 60.0° |
| H37 | C22 | C23 | H39 | 164.9° | 180.0° |
| H38 | C23 | C24 | H40 | 162.1° | 180.0° |
| H38 | C23 | C24 | H41 | 79.1° | 60.0° |
| H39 | C23 | C24 | H40 | 42.4° | 60.0° |
| H39 | C23 | C24 | H41 | 161.1° | 180.0° |
| H40 | C24 | C25 | H42 | 169.5° | 175.0° |
| H41 | C24 | C25 | H42 | 71.7° | 65.1° |
| H42 | C25 | C27 | H43 | 63.2° | 60.0° |
| H42 | C25 | C27 | H44 | 176.8° | 180.0° |
| H42 | C25 | C27 | H45 | 56.8° | 60.1° |
| H42 | C25 | C26 | H46 | 61.9° | 60.0° |
| H42 | C25 | C26 | H47 | 58.2° | 60.0° |
| H42 | C25 | C26 | H48 | 178.2° | 179.9° |
| H43 | C27 | H44 | H45 | 120.0° | 120.0° |
| H46 | C26 | H47 | H48 | 120.0° | 119.9° |
