8K9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.36Å | 1.40Å | |
| C23 | C24 | sing | 1.40Å | 1.40Å | |
| O1 | C24 | doub | 1.22Å | 1.25Å | |
| C22 | C21 | sing | 1.40Å | 1.39Å | |
| C24 | N1 | sing | 1.36Å | 1.42Å | |
| C21 | C20 | doub | 1.36Å | 1.40Å | |
| N1 | C20 | sing | 1.35Å | 1.43Å | |
| N1 | C19 | sing | 1.46Å | 1.49Å | |
| C20 | C26 | sing | 1.51Å | 1.49Å | |
| C19 | C18 | sing | 1.52Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C18 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.54Å | 1.53Å | |
| C18 | C17 | sing | 1.52Å | 1.54Å | |
| C27 | N | sing | 1.47Å | 1.49Å | |
| C17 | N | sing | 1.47Å | 1.49Å | |
| N | C16 | sing | 1.47Å | 1.47Å | |
| O2 | C15 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O | sing | 1.43Å | 1.43Å | |
| C12 | C8 | sing | 1.53Å | 1.53Å | |
| O | C13 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C13 | C7 | doub | 1.39Å | 1.51Å | Aromatic |
| C13 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C29 | H44 | sing | 1.08Å | 1.08Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| C | H46 | sing | 1.09Å | 1.10Å | |
| C | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 119.6° | 119.1° |
| C23 | C22 | C21 | 121.2° | 118.9° |
| C22 | C23 | H15 | 120.2° | 120.4° |
| C23 | C22 | H17 | 119.4° | 120.5° |
| C23 | C24 | O1 | 119.8° | 119.7° |
| C23 | C24 | N1 | 120.5° | 120.6° |
| C24 | C23 | H15 | 120.2° | 120.4° |
| O1 | C24 | N1 | 119.7° | 119.7° |
| C22 | C21 | C20 | 120.3° | 120.4° |
| C21 | C22 | H17 | 119.4° | 120.5° |
| C22 | C21 | H18 | 119.9° | 119.8° |
| C24 | N1 | C20 | 118.9° | 119.8° |
| C24 | N1 | C19 | 117.5° | 117.1° |
| C21 | C20 | N1 | 119.5° | 120.6° |
| C21 | C20 | C26 | 119.7° | 117.5° |
| C20 | C21 | H18 | 119.8° | 119.8° |
| C20 | N1 | C19 | 123.6° | 123.0° |
| N1 | C20 | C26 | 120.7° | 121.8° |
| N1 | C19 | C18 | 113.3° | 112.2° |
| N1 | C19 | H13 | 108.5° | 109.0° |
| N1 | C19 | H14 | 108.5° | 109.0° |
| C20 | C26 | C25 | 108.1° | 109.1° |
| C20 | C26 | C27 | 113.1° | 107.5° |
| C20 | C26 | H20 | 110.0° | 110.5° |
| C19 | C18 | C25 | 109.7° | 109.4° |
| C19 | C18 | C17 | 110.0° | 111.7° |
| C18 | C19 | H13 | 108.5° | 108.9° |
| C18 | C19 | H14 | 108.5° | 108.9° |
| C19 | C18 | H23 | 108.7° | 108.4° |
| C26 | C25 | C18 | 109.7° | 107.7° |
| C25 | C26 | C27 | 106.7° | 108.0° |
| C25 | C26 | H20 | 109.4° | 111.0° |
| C26 | C25 | H21 | 109.4° | 109.9° |
| C26 | C25 | H22 | 109.4° | 109.8° |
| C25 | C18 | C17 | 111.3° | 110.7° |
| C18 | C25 | H21 | 109.4° | 109.9° |
| C18 | C25 | H22 | 109.4° | 109.8° |
| C25 | C18 | H23 | 108.6° | 108.4° |
| C26 | C27 | N | 111.3° | 108.0° |
| C27 | C26 | H20 | 109.5° | 110.5° |
| C26 | C27 | H26 | 109.0° | 109.8° |
| C26 | C27 | H27 | 109.0° | 109.7° |
| C18 | C17 | N | 113.0° | 111.0° |
| C17 | C18 | H23 | 108.5° | 108.1° |
| C18 | C17 | H24 | 108.6° | 109.2° |
| C18 | C17 | H25 | 108.6° | 109.2° |
| C27 | N | C17 | 112.9° | 111.2° |
| C27 | N | C16 | 111.4° | 111.0° |
| N | C27 | H26 | 109.0° | 109.7° |
| N | C27 | H27 | 109.0° | 109.7° |
| C17 | N | C16 | 107.8° | 111.0° |
| N | C17 | H24 | 108.6° | 109.2° |
| N | C17 | H25 | 108.6° | 109.2° |
| N | C16 | C15 | 117.0° | 109.5° |
| N | C16 | H29 | 107.6° | 109.5° |
| N | C16 | H30 | 107.6° | 109.4° |
| O2 | C15 | C16 | 111.7° | 109.4° |
| O2 | C15 | C14 | 107.2° | 109.5° |
| O2 | C15 | H31 | 110.8° | 109.5° |
| C15 | O2 | H32 | 109.5° | 114.1° |
| C16 | C15 | C14 | 108.2° | 109.5° |
| C15 | C16 | H29 | 107.5° | 109.5° |
| C15 | C16 | H30 | 107.6° | 109.4° |
| C16 | C15 | H31 | 109.3° | 109.5° |
| C15 | C14 | O | 108.4° | 109.5° |
| C14 | C15 | H31 | 109.5° | 109.5° |
| C15 | C14 | H33 | 109.7° | 109.5° |
| C15 | C14 | H34 | 109.8° | 109.5° |
| C14 | O | C13 | 122.4° | 117.0° |
| O | C14 | H33 | 109.8° | 109.4° |
| O | C14 | H34 | 109.7° | 109.5° |
| C12 | C8 | C10 | 113.8° | 109.4° |
| C12 | C8 | C7 | 112.0° | 109.5° |
| C12 | C8 | C9 | 103.5° | 109.5° |
| C8 | C12 | H35 | 109.5° | 109.5° |
| C8 | C12 | H36 | 109.5° | 109.5° |
| C8 | C12 | H37 | 109.4° | 109.5° |
| O | C13 | C7 | 122.1° | 120.0° |
| O | C13 | C28 | 118.0° | 120.1° |
| C11 | C10 | C8 | 118.2° | 109.5° |
| C11 | C10 | H38 | 107.2° | 109.5° |
| C11 | C10 | H39 | 107.3° | 109.4° |
| C10 | C11 | H40 | 109.5° | 109.5° |
| C10 | C11 | H41 | 109.5° | 109.4° |
| C10 | C11 | H42 | 109.5° | 109.4° |
| C10 | C8 | C7 | 111.1° | 109.5° |
| C10 | C8 | C9 | 104.2° | 109.5° |
| C8 | C10 | H38 | 107.3° | 109.5° |
| C8 | C10 | H39 | 107.3° | 109.4° |
| C7 | C8 | C9 | 111.7° | 109.5° |
| C8 | C7 | C13 | 125.1° | 120.0° |
| C8 | C7 | C6 | 119.5° | 120.1° |
| C8 | C9 | H10 | 109.5° | 109.4° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| C8 | C9 | H12 | 109.4° | 109.5° |
| C7 | C13 | C28 | 119.9° | 119.9° |
| C13 | C7 | C6 | 115.4° | 119.9° |
| C13 | C28 | C29 | 120.9° | 119.9° |
| C13 | C28 | H43 | 119.6° | 120.0° |
| C7 | C6 | C5 | 123.5° | 120.1° |
| C7 | C6 | H9 | 118.2° | 119.9° |
| C28 | C29 | C5 | 121.1° | 120.1° |
| C29 | C28 | H43 | 119.5° | 120.1° |
| C28 | C29 | H44 | 119.4° | 120.0° |
| C6 | C5 | C29 | 119.1° | 120.1° |
| C6 | C5 | C1 | 121.6° | 120.0° |
| C5 | C6 | H9 | 118.2° | 120.0° |
| C29 | C5 | C1 | 119.3° | 120.0° |
| C5 | C29 | H44 | 119.5° | 119.9° |
| C5 | C1 | C2 | 107.8° | 109.5° |
| C5 | C1 | C | 109.9° | 109.5° |
| C5 | C1 | C3 | 110.7° | 109.4° |
| C2 | C1 | C | 107.5° | 109.5° |
| C2 | C1 | C3 | 113.9° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C | C1 | C3 | 107.0° | 109.5° |
| C1 | C | H45 | 109.5° | 109.5° |
| C1 | C | H46 | 109.4° | 109.5° |
| C1 | C | H47 | 109.5° | 109.5° |
| C1 | C3 | C4 | 116.3° | 109.4° |
| C1 | C3 | H4 | 107.7° | 109.5° |
| C1 | C3 | H5 | 107.7° | 109.5° |
| C4 | C3 | H4 | 107.7° | 109.4° |
| C4 | C3 | H5 | 107.7° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.6° |
| H13 | C19 | H14 | 109.5° | 108.8° |
| H21 | C25 | H22 | 109.5° | 109.9° |
| H24 | C17 | H25 | 109.5° | 109.0° |
| H26 | C27 | H27 | 109.5° | 109.8° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.5° | 109.5° |
| H35 | C12 | H36 | 109.5° | 109.5° |
| H35 | C12 | H37 | 109.5° | 109.5° |
| H36 | C12 | H37 | 109.5° | 109.4° |
| H38 | C10 | H39 | 109.4° | 109.5° |
| H40 | C11 | H41 | 109.5° | 109.5° |
| H40 | C11 | H42 | 109.4° | 109.5° |
| H41 | C11 | H42 | 109.4° | 109.5° |
| H45 | C | H46 | 109.5° | 109.4° |
| H45 | C | H47 | 109.5° | 109.5° |
| H46 | C | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | O1 | 179.1° | 176.9° |
| C23 | C22 | C21 | H17 | 180.0° | 180.0° |
| C22 | C23 | C24 | N1 | 0.2° | 3.4° |
| C23 | C22 | C21 | C20 | 0.4° | 1.1° |
| C23 | C22 | C21 | H18 | 179.6° | 179.1° |
| C23 | C24 | O1 | N1 | 179.3° | 179.7° |
| C24 | C23 | C22 | C21 | 0.3° | 1.2° |
| C23 | C24 | N1 | C20 | 0.1° | 8.1° |
| C23 | C24 | N1 | C19 | 179.3° | 169.5° |
| C24 | C23 | C22 | H17 | 179.7° | 178.8° |
| O1 | C24 | N1 | C20 | 179.2° | 172.3° |
| O1 | C24 | N1 | C19 | 0.0° | 10.2° |
| O1 | C24 | C23 | H15 | 0.8° | 3.1° |
| C22 | C21 | C20 | H18 | 180.0° | 179.8° |
| C22 | C21 | C20 | N1 | 0.3° | 3.5° |
| C22 | C21 | C20 | C26 | 178.6° | 174.0° |
| C21 | C22 | C23 | H15 | 179.7° | 178.9° |
| C24 | N1 | C20 | C21 | 0.2° | 8.1° |
| C24 | N1 | C20 | C19 | 179.1° | 177.4° |
| C24 | N1 | C20 | C26 | 178.7° | 169.4° |
| C24 | N1 | C19 | C18 | 176.7° | 160.7° |
| C24 | N1 | C19 | H13 | 56.2° | 40.0° |
| C24 | N1 | C19 | H14 | 62.7° | 78.6° |
| N1 | C24 | C23 | H15 | 179.8° | 176.6° |
| C21 | C20 | N1 | C26 | 178.9° | 177.5° |
| C21 | C20 | N1 | C19 | 179.3° | 169.2° |
| C21 | C20 | C26 | C25 | 151.7° | 152.4° |
| C21 | C20 | C26 | C27 | 90.4° | 90.7° |
| C20 | C21 | C22 | H17 | 179.6° | 178.8° |
| C21 | C20 | C26 | H20 | 32.3° | 30.0° |
| C20 | N1 | C19 | C18 | 4.1° | 21.9° |
| N1 | C20 | C26 | C25 | 27.2° | 30.1° |
| N1 | C20 | C26 | C27 | 90.7° | 86.8° |
| C20 | N1 | C19 | H13 | 124.7° | 142.6° |
| C20 | N1 | C19 | H14 | 116.5° | 98.8° |
| N1 | C20 | C21 | H18 | 179.7° | 176.3° |
| N1 | C20 | C26 | H20 | 146.5° | 152.5° |
| C19 | N1 | C20 | C26 | 0.4° | 13.3° |
| N1 | C19 | C18 | H13 | 120.6° | 120.7° |
| N1 | C19 | C18 | H14 | 120.6° | 120.7° |
| N1 | C19 | C18 | C25 | 36.2° | 48.2° |
| N1 | C19 | C18 | C17 | 86.6° | 74.8° |
| N1 | C19 | H13 | H14 | 118.2° | 118.7° |
| N1 | C19 | C18 | H23 | 154.7° | 166.3° |
| C20 | C26 | C25 | C27 | 121.9° | 116.6° |
| C20 | C26 | C25 | H20 | 119.7° | 122.1° |
| C20 | C26 | C25 | C18 | 59.9° | 55.3° |
| C20 | C26 | C27 | H20 | 123.0° | 120.7° |
| C20 | C26 | C27 | N | 55.8° | 53.3° |
| C26 | C20 | C21 | H18 | 1.4° | 6.2° |
| C20 | C26 | C25 | H21 | 60.1° | 64.3° |
| C20 | C26 | C25 | H22 | 180.0° | 174.8° |
| C20 | C26 | C27 | H26 | 176.1° | 172.9° |
| C20 | C26 | C27 | H27 | 64.5° | 66.3° |
| C19 | C18 | C25 | C26 | 66.2° | 66.6° |
| C19 | C18 | C25 | C17 | 122.0° | 123.5° |
| C19 | C18 | C25 | H23 | 118.6° | 118.1° |
| C19 | C18 | C17 | H23 | 118.7° | 119.1° |
| C19 | C18 | C17 | N | 73.3° | 66.8° |
| C18 | C19 | H13 | H14 | 118.2° | 118.6° |
| C19 | C18 | C25 | H21 | 53.9° | 53.0° |
| C19 | C18 | C25 | H22 | 173.8° | 174.0° |
| C19 | C18 | C17 | H24 | 47.2° | 53.7° |
| C19 | C18 | C17 | H25 | 166.2° | 172.8° |
| C26 | C25 | C18 | H21 | 120.1° | 119.6° |
| C26 | C25 | C18 | H22 | 120.0° | 119.5° |
| C25 | C26 | C27 | H20 | 118.3° | 121.6° |
| C26 | C25 | C18 | C17 | 55.8° | 56.9° |
| C25 | C26 | C27 | N | 62.9° | 64.4° |
| C26 | C25 | H21 | H22 | 119.9° | 120.9° |
| C26 | C25 | C18 | H23 | 175.2° | 175.4° |
| C25 | C26 | C27 | H26 | 57.3° | 55.3° |
| C25 | C26 | C27 | H27 | 176.8° | 176.0° |
| C18 | C25 | C26 | C27 | 62.0° | 61.3° |
| C25 | C18 | C17 | H23 | 119.4° | 118.6° |
| C25 | C18 | C17 | N | 48.5° | 55.4° |
| C25 | C18 | C19 | H13 | 156.8° | 168.9° |
| C25 | C18 | C19 | H14 | 84.4° | 72.6° |
| C18 | C25 | C26 | H20 | 179.7° | 177.4° |
| C18 | C25 | H21 | H22 | 119.9° | 120.9° |
| C25 | C18 | C17 | H24 | 169.1° | 175.9° |
| C25 | C18 | C17 | H25 | 72.0° | 65.0° |
| C26 | C27 | N | H26 | 120.3° | 119.7° |
| C26 | C27 | N | H27 | 120.3° | 119.6° |
| C26 | C27 | N | C17 | 57.3° | 62.8° |
| C26 | C27 | N | C16 | 178.8° | 173.1° |
| C27 | C26 | C25 | H21 | 178.0° | 179.1° |
| C27 | C26 | C25 | H22 | 58.0° | 58.2° |
| C26 | C27 | H26 | H27 | 119.1° | 120.7° |
| C18 | C17 | N | C27 | 49.1° | 58.5° |
| C18 | C17 | N | H24 | 120.5° | 120.5° |
| C18 | C17 | N | H25 | 120.5° | 120.4° |
| C18 | C17 | N | C16 | 172.6° | 177.4° |
| C17 | C18 | C19 | H13 | 34.0° | 46.0° |
| C17 | C18 | C19 | H14 | 152.8° | 164.5° |
| C17 | C18 | C25 | H21 | 175.8° | 176.6° |
| C17 | C18 | C25 | H22 | 64.2° | 62.5° |
| C18 | C17 | H24 | H25 | 118.4° | 119.2° |
| C27 | N | C17 | C16 | 123.5° | 124.1° |
| C27 | N | C16 | C15 | 40.2° | 65.8° |
| N | C27 | C26 | H20 | 178.8° | 174.0° |
| C27 | N | C17 | H24 | 169.6° | 179.0° |
| C27 | N | C17 | H25 | 71.4° | 61.9° |
| N | C27 | H26 | H27 | 119.2° | 120.7° |
| C27 | N | C16 | H29 | 161.2° | 174.2° |
| C27 | N | C16 | H30 | 80.9° | 54.1° |
| C17 | N | C16 | C15 | 164.6° | 170.0° |
| N | C17 | C18 | H23 | 168.0° | 174.1° |
| N | C17 | H24 | H25 | 118.4° | 119.2° |
| C17 | N | C27 | H26 | 63.0° | 56.8° |
| C17 | N | C27 | H27 | 177.5° | 177.6° |
| C17 | N | C16 | H29 | 74.3° | 50.0° |
| C17 | N | C16 | H30 | 43.5° | 70.1° |
| N | C16 | C15 | O2 | 66.9° | 65.0° |
| N | C16 | C15 | H29 | 121.1° | 120.0° |
| N | C16 | C15 | H30 | 121.1° | 119.9° |
| N | C16 | C15 | C14 | 175.2° | 175.0° |
| C16 | N | C17 | H24 | 66.9° | 57.0° |
| C16 | N | C17 | H25 | 52.1° | 62.2° |
| C16 | N | C27 | H26 | 58.5° | 67.2° |
| C16 | N | C27 | H27 | 61.0° | 53.5° |
| N | C16 | H29 | H30 | 116.6° | 120.0° |
| N | C16 | C15 | H31 | 56.0° | 55.0° |
| O2 | C15 | C16 | C14 | 117.8° | 120.0° |
| O2 | C15 | C16 | H31 | 122.9° | 120.0° |
| O2 | C15 | C14 | H31 | 120.3° | 120.0° |
| O2 | C15 | C14 | O | 149.9° | 65.0° |
| O2 | C15 | C16 | H29 | 54.2° | 55.0° |
| O2 | C15 | C16 | H30 | 172.0° | 175.0° |
| O2 | C15 | C14 | H33 | 30.0° | 54.9° |
| O2 | C15 | C14 | H34 | 90.3° | 175.0° |
| C16 | C15 | C14 | H31 | 119.1° | 120.0° |
| C16 | C15 | C14 | O | 89.5° | 175.0° |
| C15 | C16 | H29 | H30 | 116.6° | 120.0° |
| C16 | C15 | O2 | H32 | 180.0° | 60.0° |
| C16 | C15 | C14 | H33 | 150.7° | 65.0° |
| C16 | C15 | C14 | H34 | 30.3° | 55.0° |
| C15 | C14 | O | H33 | 119.8° | 120.0° |
| C15 | C14 | O | H34 | 119.8° | 120.0° |
| C15 | C14 | O | C13 | 159.5° | 180.0° |
| C14 | C15 | C16 | H29 | 63.7° | 65.0° |
| C14 | C15 | C16 | H30 | 54.2° | 55.1° |
| C14 | C15 | O2 | H32 | 61.6° | 60.0° |
| C15 | C14 | H33 | H34 | 120.5° | 120.1° |
| C14 | O | C13 | C7 | 162.5° | 180.0° |
| C14 | O | C13 | C28 | 16.8° | 0.0° |
| O | C14 | C15 | H31 | 29.6° | 55.0° |
| O | C14 | H33 | H34 | 120.5° | 120.0° |
| C12 | C8 | C10 | C11 | 57.0° | 178.4° |
| C12 | C8 | C10 | C7 | 127.6° | 120.0° |
| C12 | C8 | C10 | C9 | 112.0° | 120.0° |
| C12 | C8 | C7 | C9 | 115.6° | 120.0° |
| C12 | C8 | C7 | C13 | 50.3° | 60.1° |
| C12 | C8 | C7 | C6 | 130.3° | 119.9° |
| C12 | C8 | C9 | H10 | 180.0° | 180.0° |
| C12 | C8 | C9 | H11 | 60.0° | 60.1° |
| C12 | C8 | C9 | H12 | 60.0° | 60.0° |
| C8 | C12 | H35 | H36 | 120.0° | 120.0° |
| C8 | C12 | H35 | H37 | 120.0° | 120.1° |
| C8 | C12 | H36 | H37 | 120.0° | 120.0° |
| C12 | C8 | C10 | H38 | 64.3° | 61.6° |
| C12 | C8 | C10 | H39 | 178.2° | 58.5° |
| O | C13 | C7 | C8 | 1.0° | 0.0° |
| O | C13 | C7 | C28 | 179.2° | 180.0° |
| O | C13 | C7 | C6 | 179.6° | 180.0° |
| O | C13 | C28 | C29 | 179.4° | 179.7° |
| C13 | O | C14 | H33 | 80.7° | 60.0° |
| C13 | O | C14 | H34 | 39.6° | 60.0° |
| O | C13 | C28 | H43 | 0.6° | 0.0° |
| C11 | C10 | C8 | H38 | 121.2° | 120.0° |
| C11 | C10 | C8 | H39 | 121.3° | 120.0° |
| C11 | C10 | C8 | C7 | 70.6° | 58.4° |
| C11 | C10 | C8 | C9 | 169.0° | 61.6° |
| C11 | C10 | H38 | H39 | 116.0° | 120.0° |
| C10 | C11 | H40 | H41 | 120.0° | 120.0° |
| C10 | C11 | H40 | H42 | 120.0° | 120.0° |
| C10 | C11 | H41 | H42 | 120.0° | 119.9° |
| C10 | C8 | C7 | C9 | 115.9° | 120.0° |
| C10 | C8 | C7 | C13 | 78.2° | 59.8° |
| C10 | C8 | C7 | C6 | 101.2° | 120.1° |
| C10 | C8 | C9 | H10 | 60.7° | 60.0° |
| C10 | C8 | C9 | H11 | 179.3° | 180.0° |
| C10 | C8 | C9 | H12 | 59.3° | 60.0° |
| C10 | C8 | C12 | H35 | 180.0° | 60.0° |
| C10 | C8 | C12 | H36 | 60.0° | 180.0° |
| C10 | C8 | C12 | H37 | 60.0° | 60.1° |
| C8 | C10 | H38 | H39 | 116.1° | 120.0° |
| C8 | C10 | C11 | H40 | 180.0° | 173.5° |
| C8 | C10 | C11 | H41 | 60.0° | 53.5° |
| C8 | C10 | C11 | H42 | 60.0° | 66.5° |
| C8 | C7 | C13 | C6 | 179.4° | 180.0° |
| C8 | C7 | C13 | C28 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 179.1° | 180.0° |
| C8 | C7 | C6 | H9 | 0.9° | 0.0° |
| C7 | C8 | C9 | H10 | 59.3° | 60.0° |
| C7 | C8 | C9 | H11 | 60.7° | 59.9° |
| C7 | C8 | C9 | H12 | 179.3° | 180.0° |
| C7 | C8 | C12 | H35 | 53.0° | 179.9° |
| C7 | C8 | C12 | H36 | 67.1° | 59.9° |
| C7 | C8 | C12 | H37 | 173.0° | 60.0° |
| C7 | C8 | C10 | H38 | 168.2° | 178.4° |
| C7 | C8 | C10 | H39 | 50.7° | 61.6° |
| C9 | C8 | C7 | C13 | 166.0° | 179.9° |
| C9 | C8 | C7 | C6 | 14.7° | 0.1° |
| C8 | C9 | H10 | H11 | 120.0° | 119.9° |
| C8 | C9 | H10 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H12 | 119.9° | 120.0° |
| C9 | C8 | C12 | H35 | 67.5° | 59.9° |
| C9 | C8 | C12 | H36 | 172.5° | 60.1° |
| C9 | C8 | C12 | H37 | 52.5° | 180.0° |
| C9 | C8 | C10 | H38 | 47.8° | 58.4° |
| C9 | C8 | C10 | H39 | 69.7° | 178.4° |
| C7 | C13 | C28 | C29 | 0.1° | 0.3° |
| C13 | C7 | C6 | C5 | 0.3° | 0.1° |
| C13 | C7 | C6 | H9 | 179.7° | 180.0° |
| C7 | C13 | C28 | H43 | 179.9° | 180.0° |
| C28 | C13 | C7 | C6 | 0.3° | 0.0° |
| C13 | C28 | C29 | H43 | 180.0° | 179.7° |
| C13 | C28 | C29 | C5 | 0.8° | 0.5° |
| C13 | C28 | C29 | H44 | 179.2° | 180.0° |
| C7 | C6 | C5 | H9 | 180.0° | 180.0° |
| C7 | C6 | C5 | C29 | 1.2° | 0.2° |
| C7 | C6 | C5 | C1 | 179.1° | 180.0° |
| C28 | C29 | C5 | C6 | 1.4° | 0.5° |
| C28 | C29 | C5 | H44 | 180.0° | 179.5° |
| C28 | C29 | C5 | C1 | 179.4° | 179.7° |
| C6 | C5 | C29 | C1 | 178.0° | 179.8° |
| C6 | C5 | C1 | C2 | 82.2° | 60.0° |
| C6 | C5 | C1 | C | 161.0° | 60.1° |
| C6 | C5 | C1 | C3 | 43.0° | 180.0° |
| C6 | C5 | C29 | H44 | 178.6° | 180.0° |
| C29 | C5 | C1 | C2 | 95.7° | 120.2° |
| C29 | C5 | C1 | C | 21.1° | 119.7° |
| C29 | C5 | C1 | C3 | 139.1° | 0.2° |
| C29 | C5 | C6 | H9 | 178.8° | 179.8° |
| C5 | C29 | C28 | H43 | 179.2° | 179.8° |
| C5 | C1 | C2 | C | 118.4° | 120.0° |
| C5 | C1 | C2 | C3 | 123.2° | 120.0° |
| C5 | C1 | C | C3 | 120.2° | 119.9° |
| C5 | C1 | C3 | C4 | 83.9° | 180.0° |
| C5 | C1 | C2 | H1 | 180.0° | 60.0° |
| C5 | C1 | C2 | H2 | 60.0° | 59.9° |
| C5 | C1 | C2 | H3 | 60.0° | 180.0° |
| C5 | C1 | C3 | H4 | 37.1° | 60.1° |
| C5 | C1 | C3 | H5 | 155.1° | 60.0° |
| C1 | C5 | C6 | H9 | 0.9° | 0.0° |
| C1 | C5 | C29 | H44 | 0.6° | 0.3° |
| C5 | C1 | C | H45 | 180.0° | 59.9° |
| C5 | C1 | C | H46 | 60.0° | 60.0° |
| C5 | C1 | C | H47 | 60.0° | 180.0° |
| C2 | C1 | C | C3 | 122.7° | 120.0° |
| C2 | C1 | C3 | C4 | 37.7° | 60.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | C3 | H4 | 158.7° | 59.9° |
| C2 | C1 | C3 | H5 | 83.3° | 180.0° |
| C2 | C1 | C | H45 | 62.9° | 180.0° |
| C2 | C1 | C | H46 | 177.1° | 60.0° |
| C2 | C1 | C | H47 | 57.1° | 60.0° |
| C | C1 | C3 | C4 | 156.4° | 60.0° |
| C | C1 | C2 | H1 | 61.6° | 60.0° |
| C | C1 | C2 | H2 | 58.4° | 180.0° |
| C | C1 | C2 | H3 | 178.4° | 60.0° |
| C | C1 | C3 | H4 | 82.6° | 179.9° |
| C | C1 | C3 | H5 | 35.4° | 60.0° |
| C1 | C | H45 | H46 | 120.0° | 120.0° |
| C1 | C | H45 | H47 | 120.0° | 120.0° |
| C1 | C | H46 | H47 | 120.0° | 120.0° |
| C1 | C3 | C4 | H4 | 121.0° | 120.0° |
| C1 | C3 | C4 | H5 | 121.0° | 120.0° |
| C3 | C1 | C2 | H1 | 56.8° | 180.0° |
| C3 | C1 | C2 | H2 | 176.8° | 60.0° |
| C3 | C1 | C2 | H3 | 63.2° | 60.0° |
| C1 | C3 | H4 | H5 | 116.9° | 120.1° |
| C1 | C3 | C4 | H6 | 180.0° | 60.0° |
| C1 | C3 | C4 | H7 | 60.0° | 180.0° |
| C1 | C3 | C4 | H8 | 60.0° | 60.0° |
| C3 | C1 | C | H45 | 59.8° | 60.0° |
| C3 | C1 | C | H46 | 60.2° | 180.0° |
| C3 | C1 | C | H47 | 179.8° | 60.1° |
| C4 | C3 | H4 | H5 | 116.9° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H6 | 59.0° | 60.0° |
| H4 | C3 | C4 | H7 | 179.0° | 60.0° |
| H4 | C3 | C4 | H8 | 61.0° | 180.0° |
| H5 | C3 | C4 | H6 | 59.0° | 180.0° |
| H5 | C3 | C4 | H7 | 61.0° | 60.0° |
| H5 | C3 | C4 | H8 | 179.0° | 60.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H10 | C9 | H11 | H12 | 120.0° | 120.1° |
| H13 | C19 | C18 | H23 | 84.7° | 73.0° |
| H14 | C19 | C18 | H23 | 34.2° | 45.5° |
| H15 | C23 | C22 | H17 | 0.3° | 1.2° |
| H17 | C22 | C21 | H18 | 0.4° | 1.0° |
| H20 | C26 | C25 | H21 | 59.6° | 57.7° |
| H20 | C26 | C25 | H22 | 60.3° | 63.2° |
| H20 | C26 | C27 | H26 | 60.9° | 66.4° |
| H20 | C26 | C27 | H27 | 58.5° | 54.4° |
| H21 | C25 | C18 | H23 | 64.8° | 65.0° |
| H22 | C25 | C18 | H23 | 55.2° | 55.9° |
| H23 | C18 | C17 | H24 | 71.5° | 65.5° |
| H23 | C18 | C17 | H25 | 47.4° | 53.7° |
| H29 | C16 | C15 | H31 | 177.1° | 175.0° |
| H30 | C16 | C15 | H31 | 65.1° | 65.0° |
| H31 | C15 | O2 | H32 | 57.9° | 180.0° |
| H31 | C15 | C14 | H33 | 90.2° | 175.0° |
| H31 | C15 | C14 | H34 | 149.4° | 65.0° |
| H35 | C12 | H36 | H37 | 120.0° | 120.0° |
| H38 | C10 | C11 | H40 | 58.7° | 66.5° |
| H38 | C10 | C11 | H41 | 61.3° | 173.5° |
| H38 | C10 | C11 | H42 | 178.7° | 53.5° |
| H39 | C10 | C11 | H40 | 58.7° | 53.5° |
| H39 | C10 | C11 | H41 | 178.8° | 66.5° |
| H39 | C10 | C11 | H42 | 61.3° | 173.6° |
| H40 | C11 | H41 | H42 | 119.9° | 120.1° |
| H43 | C28 | C29 | H44 | 0.8° | 0.3° |
| H45 | C | H46 | H47 | 120.0° | 120.0° |
