9KR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C2 | doub | 1.31Å | 1.31Å | |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C3 | O | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.33Å | 1.36Å | |
| C6 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | doub | 1.33Å | 1.34Å | |
| C8 | C9 | sing | 1.50Å | 1.49Å | |
| C8 | C13 | sing | 1.52Å | 1.50Å | |
| C14 | C9 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.55Å | 1.54Å | |
| C17 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.56Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C10 | C16 | sing | 1.52Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| O2 | C23 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.46Å | 1.55Å | |
| C24 | C25 | doub | 1.33Å | 1.57Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H32 | sing | 1.08Å | 1.08Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| O | H38 | sing | 0.97Å | 0.95Å | |
| C21 | H39 | sing | 1.08Å | 1.08Å | |
| C21 | H40 | sing | 1.08Å | 1.08Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| O1 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C2 | C1 | 122.2° | 120.6° |
| C21 | C2 | C3 | 119.7° | 120.7° |
| C2 | C21 | H39 | 120.0° | 120.0° |
| C2 | C21 | H40 | 120.0° | 120.0° |
| O1 | C1 | C2 | 110.9° | 109.6° |
| O1 | C1 | C | 112.2° | 109.9° |
| O1 | C1 | H41 | 108.1° | 109.8° |
| C1 | O1 | H42 | 109.5° | 114.0° |
| C1 | C2 | C3 | 118.1° | 118.7° |
| C2 | C1 | C | 110.8° | 108.6° |
| C2 | C1 | H41 | 107.6° | 109.5° |
| C2 | C3 | O | 106.1° | 109.6° |
| C2 | C3 | C4 | 110.5° | 108.6° |
| C2 | C3 | H37 | 108.6° | 109.8° |
| C1 | C | C5 | 115.9° | 108.6° |
| C1 | C | H33 | 107.8° | 109.6° |
| C1 | C | H34 | 107.9° | 109.7° |
| C | C1 | H41 | 107.1° | 109.3° |
| O | C3 | C4 | 114.0° | 109.6° |
| O | C3 | H37 | 109.5° | 109.6° |
| C3 | O | H38 | 109.5° | 114.0° |
| C3 | C4 | C5 | 111.9° | 108.6° |
| C3 | C4 | H35 | 108.9° | 109.6° |
| C3 | C4 | H36 | 108.8° | 109.7° |
| C4 | C3 | H37 | 108.1° | 109.6° |
| C | C5 | C4 | 120.0° | 118.8° |
| C | C5 | C6 | 124.4° | 120.6° |
| C5 | C | H33 | 107.8° | 109.7° |
| C5 | C | H34 | 107.8° | 109.6° |
| C4 | C5 | C6 | 115.6° | 120.6° |
| C5 | C4 | H35 | 108.8° | 109.6° |
| C5 | C4 | H36 | 108.9° | 109.7° |
| C5 | C6 | C7 | 123.8° | 120.0° |
| C5 | C6 | H32 | 118.1° | 120.0° |
| C6 | C7 | C8 | 122.0° | 120.0° |
| C6 | C7 | H31 | 119.0° | 120.0° |
| C7 | C6 | H32 | 118.1° | 120.0° |
| C7 | C8 | C9 | 122.9° | 122.4° |
| C7 | C8 | C13 | 125.5° | 122.4° |
| C8 | C7 | H31 | 119.0° | 120.0° |
| C9 | C8 | C13 | 111.6° | 115.2° |
| C8 | C9 | C14 | 119.8° | 116.7° |
| C8 | C9 | C10 | 110.7° | 105.6° |
| C8 | C9 | H21 | 106.2° | 111.2° |
| C8 | C13 | C12 | 106.2° | 110.8° |
| C8 | C13 | H29 | 110.3° | 109.1° |
| C8 | C13 | H30 | 110.3° | 109.2° |
| C9 | C14 | C15 | 103.1° | 102.8° |
| C14 | C9 | C10 | 107.4° | 101.3° |
| C9 | C14 | H19 | 111.1° | 110.7° |
| C9 | C14 | H20 | 111.0° | 110.7° |
| C14 | C9 | H21 | 105.8° | 110.7° |
| C14 | C15 | C16 | 105.7° | 106.4° |
| C14 | C15 | H17 | 110.4° | 110.1° |
| C14 | C15 | H18 | 110.4° | 110.1° |
| C15 | C14 | H19 | 111.0° | 110.8° |
| C15 | C14 | H20 | 111.0° | 110.7° |
| C17 | C10 | C9 | 109.8° | 109.2° |
| C17 | C10 | C16 | 113.2° | 109.2° |
| C17 | C10 | C11 | 112.3° | 108.8° |
| C10 | C17 | H22 | 109.5° | 109.4° |
| C10 | C17 | H23 | 109.5° | 109.5° |
| C10 | C17 | H24 | 109.5° | 109.4° |
| C9 | C10 | C16 | 98.0° | 103.2° |
| C9 | C10 | C11 | 106.9° | 107.6° |
| C10 | C9 | H21 | 106.0° | 110.8° |
| C13 | C12 | C11 | 113.7° | 111.8° |
| C13 | C12 | H27 | 108.4° | 109.0° |
| C13 | C12 | H28 | 108.4° | 109.0° |
| C12 | C13 | H29 | 110.3° | 109.2° |
| C12 | C13 | H30 | 110.3° | 109.3° |
| C15 | C16 | C10 | 104.8° | 105.1° |
| C15 | C16 | C18 | 116.3° | 110.4° |
| C15 | C16 | H16 | 105.8° | 110.3° |
| C16 | C15 | H17 | 110.4° | 110.1° |
| C16 | C15 | H18 | 110.4° | 110.0° |
| C16 | C10 | C11 | 115.4° | 118.5° |
| C10 | C16 | C18 | 117.1° | 110.3° |
| C10 | C16 | H16 | 105.8° | 110.3° |
| C10 | C11 | C12 | 109.5° | 107.5° |
| C10 | C11 | H25 | 109.5° | 109.8° |
| C10 | C11 | H26 | 109.5° | 109.8° |
| C12 | C11 | H25 | 109.5° | 109.9° |
| C12 | C11 | H26 | 109.5° | 109.9° |
| C11 | C12 | H27 | 108.4° | 109.1° |
| C11 | C12 | H28 | 108.4° | 109.0° |
| C22 | C20 | C18 | 106.7° | 109.5° |
| C20 | C22 | C23 | 114.5° | 109.5° |
| C20 | C22 | H8 | 108.2° | 109.4° |
| C20 | C22 | H9 | 108.2° | 109.4° |
| C22 | C20 | H10 | 110.1° | 109.4° |
| C22 | C20 | H11 | 110.1° | 109.4° |
| C20 | C18 | C16 | 114.2° | 109.4° |
| C20 | C18 | C19 | 105.9° | 109.5° |
| C18 | C20 | H10 | 110.2° | 109.5° |
| C18 | C20 | H11 | 110.2° | 109.5° |
| C20 | C18 | H12 | 109.1° | 109.5° |
| C16 | C18 | C19 | 109.8° | 109.5° |
| C16 | C18 | H12 | 108.9° | 109.4° |
| C18 | C16 | H16 | 106.0° | 110.3° |
| C22 | C23 | O2 | 118.2° | 120.0° |
| C22 | C23 | C24 | 122.2° | 120.0° |
| C23 | C22 | H8 | 108.2° | 109.5° |
| C23 | C22 | H9 | 108.2° | 109.5° |
| O2 | C23 | C24 | 119.6° | 120.0° |
| C19 | C18 | H12 | 108.8° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.4° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C23 | C24 | C25 | 115.8° | 120.0° |
| C23 | C24 | H1 | 122.1° | 120.0° |
| C24 | C25 | C26 | 108.6° | 120.1° |
| C25 | C24 | H1 | 122.1° | 119.9° |
| C24 | C25 | H3 | 125.7° | 119.9° |
| C26 | C25 | H3 | 125.7° | 120.0° |
| C25 | C26 | H5 | 109.5° | 109.4° |
| C25 | C26 | H6 | 109.5° | 109.5° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.4° | 109.5° |
| H5 | C26 | H7 | 109.4° | 109.4° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.4° | 109.4° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 110.1° |
| H19 | C14 | H20 | 109.5° | 110.8° |
| H22 | C17 | H23 | 109.4° | 109.5° |
| H22 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C11 | H26 | 109.5° | 109.8° |
| H27 | C12 | H28 | 109.5° | 108.9° |
| H29 | C13 | H30 | 109.4° | 109.2° |
| H33 | C | H34 | 109.5° | 109.6° |
| H35 | C4 | H36 | 109.5° | 109.6° |
| H39 | C21 | H40 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C2 | C1 | O1 | 8.3° | 115.2° |
| C21 | C2 | C1 | C3 | 176.8° | 179.6° |
| C21 | C2 | C1 | C | 133.5° | 124.7° |
| C21 | C2 | C3 | O | 110.4° | 5.0° |
| C21 | C2 | C3 | C4 | 125.6° | 124.8° |
| C21 | C2 | C3 | H37 | 7.2° | 115.4° |
| C2 | C21 | H39 | H40 | 180.0° | 180.0° |
| C21 | C2 | C1 | H41 | 109.7° | 5.3° |
| O1 | C1 | C2 | C | 125.2° | 120.1° |
| O1 | C1 | C2 | H41 | 118.0° | 120.5° |
| O1 | C1 | C2 | C3 | 175.0° | 64.4° |
| O1 | C1 | C | H41 | 118.5° | 120.5° |
| O1 | C1 | C | C5 | 158.9° | 70.3° |
| O1 | C1 | C | H33 | 38.0° | 169.9° |
| O1 | C1 | C | H34 | 80.2° | 49.5° |
| C2 | C1 | C | H41 | 117.0° | 119.5° |
| C1 | C2 | C3 | O | 66.4° | 175.3° |
| C1 | C2 | C3 | C4 | 57.6° | 55.6° |
| C2 | C1 | C | C5 | 34.4° | 49.6° |
| C2 | C1 | C | H33 | 86.6° | 70.2° |
| C2 | C1 | C | H34 | 155.3° | 169.4° |
| C1 | C2 | C3 | H37 | 176.0° | 64.3° |
| C1 | C2 | C21 | H39 | 176.7° | 0.0° |
| C1 | C2 | C21 | H40 | 3.3° | 180.0° |
| C2 | C1 | O1 | H42 | 180.0° | 60.0° |
| C3 | C2 | C1 | C | 49.7° | 55.6° |
| C2 | C3 | O | C4 | 121.8° | 119.1° |
| C2 | C3 | O | H37 | 117.0° | 120.5° |
| C2 | C3 | C4 | H37 | 118.7° | 119.9° |
| C2 | C3 | C4 | C5 | 47.9° | 49.5° |
| C2 | C3 | C4 | H35 | 168.3° | 169.2° |
| C2 | C3 | C4 | H36 | 72.4° | 70.4° |
| C2 | C3 | O | H38 | 180.0° | 60.9° |
| C3 | C2 | C21 | H39 | 0.0° | 179.7° |
| C3 | C2 | C21 | H40 | 180.0° | 0.3° |
| C3 | C2 | C1 | H41 | 67.0° | 175.0° |
| C1 | C | C5 | H33 | 120.9° | 119.8° |
| C1 | C | C5 | H34 | 121.0° | 119.9° |
| C1 | C | C5 | C4 | 32.0° | 55.1° |
| C1 | C | C5 | C6 | 148.3° | 124.7° |
| C1 | C | H33 | H34 | 117.1° | 120.5° |
| C | C1 | O1 | H42 | 55.6° | 179.3° |
| O | C3 | C4 | H37 | 121.9° | 120.3° |
| O | C3 | C4 | C5 | 71.4° | 169.2° |
| O | C3 | C4 | H35 | 49.0° | 71.1° |
| O | C3 | C4 | H36 | 168.2° | 49.3° |
| C3 | C4 | C5 | C | 38.3° | 55.0° |
| C3 | C4 | C5 | H35 | 120.4° | 119.7° |
| C3 | C4 | C5 | H36 | 120.3° | 119.9° |
| C3 | C4 | C5 | C6 | 142.0° | 124.7° |
| C3 | C4 | H35 | H36 | 118.9° | 120.5° |
| C4 | C3 | O | H38 | 58.2° | 180.0° |
| C | C5 | C4 | C6 | 179.7° | 179.8° |
| C | C5 | C6 | C7 | 2.3° | 173.9° |
| C | C5 | C6 | H32 | 177.7° | 6.1° |
| C5 | C | H33 | H34 | 117.0° | 120.4° |
| C | C5 | C4 | H35 | 158.7° | 174.7° |
| C | C5 | C4 | H36 | 82.0° | 64.9° |
| C5 | C | C1 | H41 | 82.6° | 169.1° |
| C4 | C5 | C6 | C7 | 177.4° | 5.8° |
| C4 | C5 | C6 | H32 | 2.6° | 174.1° |
| C4 | C5 | C | H33 | 88.9° | 64.7° |
| C4 | C5 | C | H34 | 153.0° | 174.9° |
| C5 | C4 | H35 | H36 | 118.9° | 120.4° |
| C5 | C4 | C3 | H37 | 166.7° | 70.5° |
| C5 | C6 | C7 | H32 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 158.9° | 174.8° |
| C5 | C6 | C7 | H31 | 21.1° | 5.2° |
| C6 | C5 | C | H33 | 90.8° | 115.5° |
| C6 | C5 | C | H34 | 27.3° | 4.8° |
| C6 | C5 | C4 | H35 | 21.6° | 5.0° |
| C6 | C5 | C4 | H36 | 97.7° | 115.4° |
| C6 | C7 | C8 | H31 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 177.1° | 180.0° |
| C6 | C7 | C8 | C13 | 3.5° | 0.1° |
| C7 | C8 | C9 | C13 | 179.4° | 179.9° |
| C7 | C8 | C9 | C14 | 10.9° | 10.4° |
| C7 | C8 | C9 | C10 | 114.9° | 122.0° |
| C7 | C8 | C13 | C12 | 122.9° | 129.9° |
| C7 | C8 | C9 | H21 | 130.5° | 117.8° |
| C7 | C8 | C13 | H29 | 117.6° | 9.5° |
| C7 | C8 | C13 | H30 | 3.4° | 109.8° |
| C8 | C7 | C6 | H32 | 21.1° | 5.2° |
| C8 | C9 | C14 | C10 | 127.4° | 114.0° |
| C8 | C9 | C14 | H21 | 119.8° | 128.4° |
| C8 | C9 | C14 | C15 | 157.3° | 156.2° |
| C8 | C9 | C10 | C17 | 59.0° | 51.4° |
| C8 | C9 | C10 | H21 | 114.8° | 120.5° |
| C9 | C8 | C13 | C12 | 57.7° | 50.2° |
| C8 | C9 | C10 | C16 | 177.2° | 167.5° |
| C8 | C9 | C10 | C11 | 63.1° | 66.5° |
| C8 | C9 | C14 | H19 | 38.4° | 85.4° |
| C8 | C9 | C14 | H20 | 83.7° | 37.9° |
| C9 | C8 | C13 | H29 | 61.8° | 170.5° |
| C9 | C8 | C13 | H30 | 177.2° | 70.1° |
| C9 | C8 | C7 | H31 | 2.9° | 0.1° |
| C13 | C8 | C9 | C14 | 168.5° | 169.7° |
| C13 | C8 | C9 | C10 | 65.7° | 58.1° |
| C8 | C13 | C12 | H29 | 119.5° | 120.3° |
| C8 | C13 | C12 | H30 | 119.5° | 120.3° |
| C8 | C13 | C12 | C11 | 54.4° | 48.7° |
| C13 | C8 | C9 | H21 | 49.0° | 62.1° |
| C8 | C13 | C12 | H27 | 175.0° | 72.0° |
| C8 | C13 | C12 | H28 | 66.2° | 169.2° |
| C8 | C13 | H29 | H30 | 121.5° | 119.3° |
| C13 | C8 | C7 | H31 | 176.5° | 180.0° |
| C9 | C14 | C15 | H19 | 119.0° | 118.4° |
| C9 | C14 | C15 | H20 | 118.9° | 118.3° |
| C14 | C9 | C10 | C17 | 73.5° | 70.6° |
| C14 | C9 | C10 | H21 | 112.7° | 117.5° |
| C9 | C14 | C15 | C16 | 2.0° | 24.2° |
| C14 | C9 | C10 | C16 | 44.8° | 45.4° |
| C14 | C9 | C10 | C11 | 164.5° | 171.4° |
| C9 | C14 | C15 | H17 | 121.4° | 95.1° |
| C9 | C14 | C15 | H18 | 117.4° | 143.4° |
| C9 | C14 | H19 | H20 | 123.0° | 123.2° |
| C15 | C14 | C9 | C10 | 29.9° | 42.2° |
| C14 | C15 | C16 | H17 | 119.4° | 119.3° |
| C14 | C15 | C16 | H18 | 119.4° | 119.3° |
| C14 | C15 | C16 | C10 | 25.6° | 3.9° |
| C14 | C15 | C16 | C18 | 156.6° | 122.8° |
| C14 | C15 | C16 | H16 | 86.0° | 115.0° |
| C14 | C15 | H17 | H18 | 121.7° | 121.6° |
| C15 | C14 | H19 | H20 | 123.0° | 123.4° |
| C15 | C14 | C9 | H21 | 82.9° | 75.3° |
| C17 | C10 | C9 | C16 | 118.3° | 116.1° |
| C17 | C10 | C9 | C11 | 122.0° | 117.9° |
| C17 | C10 | C16 | C15 | 73.6° | 86.0° |
| C17 | C10 | C16 | C11 | 131.3° | 125.2° |
| C17 | C10 | C11 | C12 | 62.8° | 50.2° |
| C17 | C10 | C16 | C18 | 57.0° | 33.0° |
| C17 | C10 | C16 | H16 | 174.8° | 155.1° |
| C17 | C10 | C9 | H21 | 173.7° | 171.9° |
| C10 | C17 | H22 | H23 | 120.0° | 120.0° |
| C10 | C17 | H22 | H24 | 120.0° | 119.9° |
| C10 | C17 | H23 | H24 | 120.0° | 120.0° |
| C17 | C10 | C11 | H25 | 57.2° | 69.3° |
| C17 | C10 | C11 | H26 | 177.2° | 169.8° |
| C9 | C10 | C16 | C15 | 42.1° | 30.1° |
| C9 | C10 | C16 | C11 | 113.0° | 118.7° |
| C9 | C10 | C11 | C12 | 57.7° | 68.0° |
| C9 | C10 | C16 | C18 | 172.7° | 149.1° |
| C9 | C10 | C16 | H16 | 69.5° | 88.8° |
| C10 | C9 | C14 | H19 | 89.0° | 160.6° |
| C10 | C9 | C14 | H20 | 148.9° | 76.1° |
| C9 | C10 | C17 | H22 | 180.0° | 66.7° |
| C9 | C10 | C17 | H23 | 60.0° | 173.3° |
| C9 | C10 | C17 | H24 | 60.0° | 53.3° |
| C9 | C10 | C11 | H25 | 177.7° | 172.5° |
| C9 | C10 | C11 | H26 | 62.3° | 51.5° |
| C13 | C12 | C11 | C10 | 56.5° | 59.1° |
| C13 | C12 | C11 | H27 | 120.6° | 120.7° |
| C13 | C12 | C11 | H28 | 120.6° | 120.5° |
| C13 | C12 | C11 | H25 | 176.5° | 178.6° |
| C13 | C12 | C11 | H26 | 63.5° | 60.4° |
| C13 | C12 | H27 | H28 | 118.1° | 118.8° |
| C12 | C13 | H29 | H30 | 121.5° | 119.4° |
| C15 | C16 | C10 | C18 | 130.6° | 119.0° |
| C15 | C16 | C10 | H16 | 111.6° | 118.9° |
| C15 | C16 | C10 | C11 | 155.1° | 148.8° |
| C15 | C16 | C18 | C20 | 20.9° | 62.8° |
| C15 | C16 | C18 | H16 | 117.2° | 122.2° |
| C15 | C16 | C18 | C19 | 97.8° | 177.1° |
| C15 | C16 | C18 | H12 | 143.1° | 57.1° |
| C16 | C15 | H17 | H18 | 121.7° | 121.5° |
| C16 | C15 | C14 | H19 | 117.0° | 142.5° |
| C16 | C15 | C14 | H20 | 120.9° | 94.1° |
| C16 | C10 | C11 | C12 | 165.4° | 175.6° |
| C10 | C16 | C18 | C20 | 104.2° | 178.5° |
| C10 | C16 | C18 | H16 | 117.7° | 122.1° |
| C10 | C16 | C18 | C19 | 137.1° | 61.4° |
| C10 | C16 | C18 | H12 | 18.0° | 58.6° |
| C10 | C16 | C15 | H17 | 93.9° | 123.2° |
| C10 | C16 | C15 | H18 | 144.9° | 115.4° |
| C16 | C10 | C9 | H21 | 68.0° | 72.0° |
| C16 | C10 | C17 | H22 | 71.7° | 45.5° |
| C16 | C10 | C17 | H23 | 168.4° | 74.5° |
| C16 | C10 | C17 | H24 | 48.4° | 165.4° |
| C16 | C10 | C11 | H25 | 74.6° | 56.1° |
| C16 | C10 | C11 | H26 | 45.4° | 64.8° |
| C10 | C11 | C12 | H25 | 120.0° | 119.5° |
| C10 | C11 | C12 | H26 | 120.0° | 119.5° |
| C11 | C10 | C16 | C18 | 74.3° | 92.2° |
| C11 | C10 | C16 | H16 | 43.5° | 29.9° |
| C11 | C10 | C9 | H21 | 51.7° | 54.0° |
| C11 | C10 | C17 | H22 | 61.2° | 176.1° |
| C11 | C10 | C17 | H23 | 58.7° | 56.1° |
| C11 | C10 | C17 | H24 | 178.8° | 63.9° |
| C10 | C11 | H25 | H26 | 120.0° | 120.9° |
| C10 | C11 | C12 | H27 | 177.1° | 61.6° |
| C10 | C11 | C12 | H28 | 64.1° | 179.6° |
| C12 | C11 | H25 | H26 | 120.0° | 121.0° |
| C11 | C12 | H27 | H28 | 118.1° | 118.8° |
| C11 | C12 | C13 | H29 | 65.1° | 168.9° |
| C11 | C12 | C13 | H30 | 173.9° | 71.7° |
| C22 | C20 | C18 | H10 | 119.5° | 120.0° |
| C22 | C20 | C18 | H11 | 119.5° | 120.0° |
| C22 | C20 | C18 | C16 | 176.6° | 175.0° |
| C20 | C22 | C23 | H8 | 120.7° | 120.0° |
| C20 | C22 | C23 | H9 | 120.7° | 120.0° |
| C20 | C22 | C23 | O2 | 1.1° | 0.0° |
| C22 | C20 | C18 | C19 | 62.5° | 65.0° |
| C20 | C22 | C23 | C24 | 179.6° | 179.7° |
| C20 | C22 | H8 | H9 | 117.7° | 119.9° |
| C22 | C20 | H10 | H11 | 121.2° | 119.9° |
| C22 | C20 | C18 | H12 | 54.4° | 55.1° |
| C20 | C18 | C16 | C19 | 118.7° | 120.0° |
| C20 | C18 | C16 | H12 | 122.2° | 119.9° |
| C18 | C20 | C22 | C23 | 50.1° | 180.0° |
| C20 | C18 | C19 | H12 | 117.1° | 120.0° |
| C18 | C20 | C22 | H8 | 170.8° | 60.0° |
| C18 | C20 | C22 | H9 | 70.6° | 59.9° |
| C18 | C20 | H10 | H11 | 121.3° | 120.1° |
| C20 | C18 | C19 | H13 | 180.0° | 60.0° |
| C20 | C18 | C19 | H14 | 60.0° | 179.9° |
| C20 | C18 | C19 | H15 | 60.0° | 60.0° |
| C20 | C18 | C16 | H16 | 138.1° | 59.4° |
| C16 | C18 | C19 | H12 | 119.1° | 120.0° |
| C16 | C18 | C20 | H10 | 63.9° | 65.1° |
| C16 | C18 | C20 | H11 | 57.0° | 55.0° |
| C16 | C18 | C19 | H13 | 56.3° | 60.0° |
| C16 | C18 | C19 | H14 | 176.3° | 59.9° |
| C16 | C18 | C19 | H15 | 63.7° | 180.0° |
| C18 | C16 | C15 | H17 | 37.2° | 117.9° |
| C18 | C16 | C15 | H18 | 84.0° | 3.6° |
| C22 | C23 | O2 | C24 | 179.3° | 179.7° |
| C22 | C23 | C24 | C25 | 25.3° | 179.7° |
| C22 | C23 | C24 | H1 | 154.7° | 0.3° |
| C23 | C22 | H8 | H9 | 117.7° | 120.1° |
| C23 | C22 | C20 | H10 | 169.7° | 60.0° |
| C23 | C22 | C20 | H11 | 69.5° | 60.0° |
| O2 | C23 | C24 | C25 | 155.5° | 0.0° |
| O2 | C23 | C24 | H1 | 24.5° | 180.0° |
| O2 | C23 | C22 | H8 | 119.6° | 120.0° |
| O2 | C23 | C22 | H9 | 121.9° | 120.0° |
| C19 | C18 | C20 | H10 | 57.0° | 55.0° |
| C19 | C18 | C20 | H11 | 178.0° | 175.0° |
| C18 | C19 | H13 | H14 | 120.0° | 119.9° |
| C18 | C19 | H13 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C19 | C18 | C16 | H16 | 19.4° | 60.7° |
| C23 | C24 | C25 | H1 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 157.2° | 180.0° |
| C23 | C24 | C25 | H3 | 22.8° | 0.0° |
| C24 | C23 | C22 | H8 | 59.7° | 60.3° |
| C24 | C23 | C22 | H9 | 58.9° | 59.8° |
| C24 | C25 | C26 | H3 | 180.0° | 180.0° |
| C24 | C25 | C26 | H5 | 180.0° | 60.0° |
| C24 | C25 | C26 | H6 | 60.0° | 180.0° |
| C24 | C25 | C26 | H7 | 60.0° | 59.9° |
| C26 | C25 | C24 | H1 | 22.8° | 0.0° |
| C25 | C26 | H5 | H6 | 120.0° | 120.0° |
| C25 | C26 | H5 | H7 | 120.0° | 120.0° |
| C25 | C26 | H6 | H7 | 120.0° | 120.1° |
| H1 | C24 | C25 | H3 | 157.2° | 180.0° |
| H3 | C25 | C26 | H5 | 0.0° | 120.0° |
| H3 | C25 | C26 | H6 | 120.0° | 0.0° |
| H3 | C25 | C26 | H7 | 120.0° | 120.1° |
| H5 | C26 | H6 | H7 | 119.9° | 119.9° |
| H8 | C22 | C20 | H10 | 69.6° | 180.0° |
| H8 | C22 | C20 | H11 | 51.3° | 60.1° |
| H9 | C22 | C20 | H10 | 49.0° | 60.1° |
| H9 | C22 | C20 | H11 | 169.8° | 180.0° |
| H10 | C20 | C18 | H12 | 174.0° | 175.0° |
| H11 | C20 | C18 | H12 | 65.1° | 64.9° |
| H12 | C18 | C19 | H13 | 62.9° | 179.9° |
| H12 | C18 | C19 | H14 | 57.1° | 60.0° |
| H12 | C18 | C19 | H15 | 177.1° | 60.0° |
| H12 | C18 | C16 | H16 | 99.7° | 179.3° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C16 | C15 | H17 | 154.5° | 4.3° |
| H16 | C16 | C15 | H18 | 33.3° | 125.7° |
| H17 | C15 | C14 | H19 | 2.4° | 23.3° |
| H17 | C15 | C14 | H20 | 119.7° | 146.7° |
| H18 | C15 | C14 | H19 | 123.6° | 98.3° |
| H18 | C15 | C14 | H20 | 1.5° | 25.1° |
| H19 | C14 | C9 | H21 | 158.1° | 43.1° |
| H20 | C14 | C9 | H21 | 36.0° | 166.4° |
| H22 | C17 | H23 | H24 | 120.0° | 120.0° |
| H25 | C11 | C12 | H27 | 62.8° | 57.9° |
| H25 | C11 | C12 | H28 | 55.9° | 60.9° |
| H26 | C11 | C12 | H27 | 57.2° | 178.9° |
| H26 | C11 | C12 | H28 | 175.9° | 60.1° |
| H27 | C12 | C13 | H29 | 55.5° | 48.2° |
| H27 | C12 | C13 | H30 | 65.5° | 167.7° |
| H28 | C12 | C13 | H29 | 174.3° | 70.6° |
| H28 | C12 | C13 | H30 | 53.3° | 48.9° |
| H31 | C7 | C6 | H32 | 158.9° | 174.9° |
| H33 | C | C1 | H41 | 156.4° | 49.3° |
| H34 | C | C1 | H41 | 38.3° | 71.1° |
| H35 | C4 | C3 | H37 | 73.0° | 49.2° |
| H36 | C4 | C3 | H37 | 46.3° | 169.7° |
| H37 | C3 | O | H38 | 63.0° | 59.7° |
| H41 | C1 | O1 | H42 | 62.3° | 60.4° |
