UYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| O1 | N | doub | 1.22Å | 1.17Å | |
| C5 | N | sing | 1.47Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N | O | doub | 1.22Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.33Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.47Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C8 | sing | 1.53Å | 1.55Å | |
| C17 | C9 | sing | 1.51Å | 1.53Å | |
| O3 | C24 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.52Å | 1.49Å | |
| C9 | C11 | sing | 1.56Å | 1.52Å | |
| C21 | C20 | sing | 1.52Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C25 | C20 | sing | 1.48Å | 1.34Å | |
| C25 | C24 | sing | 1.52Å | 1.52Å | |
| C15 | C14 | sing | 1.52Å | 1.51Å | |
| C20 | C19 | doub | 1.35Å | 1.54Å | |
| C22 | O2 | sing | 1.43Å | 1.41Å | |
| C8 | C13 | sing | 1.55Å | 1.56Å | |
| C19 | C18 | sing | 1.47Å | 1.55Å | |
| C18 | C14 | doub | 1.33Å | 1.53Å | |
| C14 | C11 | sing | 1.50Å | 1.52Å | |
| C13 | C12 | sing | 1.56Å | 1.62Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C1 | 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 | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| O2 | H48 | sing | 0.97Å | 0.95Å | |
| O3 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C7 | 108.4° | 109.5° |
| C6 | C5 | N | 106.3° | 109.5° |
| C6 | C5 | C4 | 113.7° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C7 | C5 | N | 109.8° | 109.5° |
| C7 | C5 | C4 | 111.8° | 109.5° |
| C5 | C7 | H44 | 109.5° | 109.5° |
| C5 | C7 | H45 | 109.5° | 109.5° |
| C5 | C7 | H46 | 109.5° | 109.5° |
| O1 | N | C5 | 119.0° | 120.0° |
| O1 | N | O | 122.7° | 120.0° |
| N | C5 | C4 | 106.7° | 109.4° |
| C5 | N | O | 118.2° | 120.0° |
| C5 | C4 | C3 | 113.6° | 109.5° |
| C5 | C4 | H6 | 108.4° | 109.5° |
| C5 | C4 | H7 | 108.5° | 109.5° |
| C4 | C3 | C2 | 111.0° | 109.5° |
| C4 | C3 | H4 | 109.1° | 109.5° |
| C4 | C3 | H5 | 109.1° | 109.5° |
| C3 | C4 | H6 | 108.4° | 109.5° |
| C3 | C4 | H7 | 108.4° | 109.5° |
| C3 | C2 | C1 | 109.9° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.4° |
| C3 | C2 | H3 | 109.4° | 109.4° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 109.1° | 109.4° |
| C2 | C1 | C | 107.5° | 109.5° |
| C2 | C1 | C8 | 115.1° | 109.4° |
| C2 | C1 | H1 | 109.1° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C10 | C9 | C17 | 110.8° | 109.3° |
| C10 | C9 | C8 | 113.5° | 108.8° |
| C10 | C9 | C11 | 110.4° | 109.2° |
| C9 | C10 | H34 | 109.5° | 109.5° |
| C9 | C10 | H35 | 109.5° | 109.4° |
| C9 | C10 | H36 | 109.5° | 109.4° |
| C26 | C25 | C20 | 120.5° | 121.6° |
| C26 | C25 | C24 | 113.1° | 121.5° |
| C25 | C26 | H28 | 120.0° | 119.9° |
| C25 | C26 | H29 | 120.0° | 120.1° |
| C17 | C16 | C15 | 115.2° | 111.6° |
| C16 | C17 | C9 | 107.2° | 107.3° |
| C17 | C16 | H16 | 108.0° | 109.0° |
| C17 | C16 | H17 | 108.0° | 109.0° |
| C16 | C17 | H18 | 110.0° | 109.8° |
| C16 | C17 | H19 | 110.0° | 109.9° |
| C16 | C15 | C14 | 115.6° | 110.7° |
| C16 | C15 | H14 | 107.9° | 109.2° |
| C16 | C15 | H15 | 107.9° | 109.2° |
| C15 | C16 | H16 | 108.0° | 108.8° |
| C15 | C16 | H17 | 108.0° | 109.4° |
| C | C1 | C8 | 107.1° | 109.5° |
| C | C1 | H1 | 109.0° | 109.5° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C | H33 | 109.5° | 109.4° |
| C1 | C8 | C9 | 116.8° | 110.3° |
| C1 | C8 | C13 | 115.4° | 110.3° |
| C8 | C1 | H1 | 108.8° | 109.5° |
| C1 | C8 | H47 | 106.7° | 110.3° |
| C17 | C9 | C8 | 116.2° | 118.3° |
| C17 | C9 | C11 | 105.9° | 107.6° |
| C9 | C17 | H18 | 110.0° | 110.3° |
| C9 | C17 | H19 | 110.0° | 109.6° |
| O3 | C24 | C23 | 110.2° | 109.7° |
| O3 | C24 | C25 | 110.8° | 109.7° |
| O3 | C24 | H26 | 111.2° | 109.7° |
| C24 | O3 | H49 | 109.5° | 114.0° |
| C22 | C23 | C24 | 112.2° | 109.8° |
| C23 | C22 | C21 | 110.3° | 109.8° |
| C23 | C22 | O2 | 110.1° | 109.5° |
| C22 | C23 | H24 | 108.8° | 109.4° |
| C22 | C23 | H25 | 108.8° | 109.3° |
| C23 | C22 | H43 | 108.7° | 109.4° |
| C23 | C24 | C25 | 105.5° | 108.3° |
| C24 | C23 | H24 | 108.8° | 109.5° |
| C24 | C23 | H25 | 108.7° | 109.4° |
| C23 | C24 | H26 | 109.6° | 109.7° |
| C8 | C9 | C11 | 98.9° | 103.2° |
| C9 | C8 | C13 | 103.5° | 105.1° |
| C9 | C8 | H47 | 107.3° | 110.4° |
| C9 | C11 | C14 | 113.8° | 106.0° |
| C9 | C11 | C12 | 104.7° | 101.3° |
| C9 | C11 | H11 | 107.0° | 111.0° |
| C20 | C21 | C22 | 107.4° | 108.4° |
| C21 | C20 | C25 | 120.7° | 116.8° |
| C21 | C20 | C19 | 116.1° | 121.6° |
| C20 | C21 | H41 | 110.0° | 109.7° |
| C20 | C21 | H42 | 110.0° | 109.7° |
| C21 | C22 | O2 | 109.1° | 109.4° |
| C22 | C21 | H41 | 110.0° | 109.7° |
| C22 | C21 | H42 | 110.0° | 109.6° |
| C21 | C22 | H43 | 108.6° | 109.4° |
| C20 | C25 | C24 | 121.9° | 116.8° |
| C25 | C20 | C19 | 121.5° | 121.6° |
| C25 | C24 | H26 | 109.4° | 109.7° |
| C15 | C14 | C18 | 115.6° | 122.4° |
| C15 | C14 | C11 | 117.2° | 115.2° |
| C14 | C15 | H14 | 107.9° | 109.2° |
| C14 | C15 | H15 | 107.9° | 109.2° |
| C20 | C19 | C18 | 116.3° | 120.0° |
| C20 | C19 | H22 | 121.9° | 120.0° |
| O2 | C22 | H43 | 110.2° | 109.4° |
| C22 | O2 | H48 | 109.5° | 114.0° |
| C8 | C13 | C12 | 104.8° | 106.3° |
| C8 | C13 | H12 | 110.6° | 110.1° |
| C8 | C13 | H13 | 110.6° | 110.1° |
| C13 | C8 | H47 | 106.5° | 110.4° |
| C19 | C18 | C14 | 113.0° | 120.0° |
| C19 | C18 | H20 | 123.5° | 120.0° |
| C18 | C19 | H22 | 121.9° | 120.0° |
| C18 | C14 | C11 | 114.8° | 122.4° |
| C14 | C18 | H20 | 123.5° | 120.0° |
| C14 | C11 | C12 | 116.9° | 116.7° |
| C14 | C11 | H11 | 107.0° | 110.7° |
| C13 | C12 | C11 | 99.7° | 102.8° |
| C12 | C13 | H12 | 110.6° | 110.1° |
| C12 | C13 | H13 | 110.6° | 110.1° |
| C13 | C12 | H37 | 111.8° | 110.7° |
| C13 | C12 | H38 | 111.9° | 110.7° |
| C12 | C11 | H11 | 106.9° | 110.8° |
| C11 | C12 | H37 | 111.9° | 110.8° |
| C11 | C12 | H38 | 111.8° | 110.8° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H12 | C13 | H13 | 109.4° | 110.1° |
| H14 | C15 | H15 | 109.5° | 109.3° |
| H16 | C16 | H17 | 109.5° | 109.0° |
| H18 | C17 | H19 | 109.5° | 109.9° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H28 | C26 | H29 | 120.0° | 120.0° |
| H31 | C | H32 | 109.5° | 109.5° |
| H31 | C | H33 | 109.5° | 109.4° |
| H32 | C | H33 | 109.4° | 109.5° |
| H34 | C10 | H35 | 109.5° | 109.5° |
| H34 | C10 | H36 | 109.5° | 109.5° |
| H35 | C10 | H36 | 109.4° | 109.5° |
| H37 | C12 | H38 | 109.5° | 110.8° |
| H41 | C21 | H42 | 109.5° | 109.7° |
| H44 | C7 | H45 | 109.5° | 109.5° |
| H44 | C7 | H46 | 109.4° | 109.5° |
| H45 | C7 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C7 | N | 115.7° | 120.0° |
| C6 | C5 | C7 | C4 | 126.1° | 120.0° |
| C6 | C5 | N | O1 | 123.0° | 90.0° |
| C6 | C5 | N | C4 | 121.7° | 120.0° |
| C6 | C5 | N | O | 57.9° | 90.0° |
| C6 | C5 | C4 | C3 | 173.5° | 60.0° |
| C6 | C5 | C4 | H6 | 52.9° | 60.0° |
| C6 | C5 | C4 | H7 | 65.9° | 180.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C6 | C5 | C7 | H44 | 180.0° | 180.0° |
| C6 | C5 | C7 | H45 | 60.0° | 60.0° |
| C6 | C5 | C7 | H46 | 60.0° | 60.0° |
| C7 | C5 | N | O1 | 6.0° | 150.0° |
| C7 | C5 | N | C4 | 121.3° | 120.0° |
| C7 | C5 | N | O | 175.0° | 30.0° |
| C7 | C5 | C4 | C3 | 63.4° | 60.0° |
| C7 | C5 | C4 | H6 | 176.0° | 180.0° |
| C7 | C5 | C4 | H7 | 57.2° | 60.0° |
| C7 | C5 | C6 | H8 | 180.0° | 60.0° |
| C7 | C5 | C6 | H9 | 60.0° | 60.0° |
| C7 | C5 | C6 | H10 | 60.0° | 180.0° |
| C5 | C7 | H44 | H45 | 120.0° | 120.0° |
| C5 | C7 | H44 | H46 | 120.0° | 120.0° |
| C5 | C7 | H45 | H46 | 120.0° | 120.0° |
| O1 | N | C5 | O | 179.1° | 180.0° |
| O1 | N | C5 | C4 | 115.3° | 30.0° |
| N | C5 | C4 | C3 | 56.7° | 180.0° |
| N | C5 | C4 | H6 | 63.9° | 60.0° |
| N | C5 | C4 | H7 | 177.3° | 60.0° |
| N | C5 | C6 | H8 | 62.0° | 60.0° |
| N | C5 | C6 | H9 | 58.0° | 180.0° |
| N | C5 | C6 | H10 | 177.9° | 60.0° |
| N | C5 | C7 | H44 | 64.3° | 60.0° |
| N | C5 | C7 | H45 | 175.7° | 180.0° |
| N | C5 | C7 | H46 | 55.7° | 60.0° |
| C4 | C5 | N | O | 63.7° | 150.0° |
| C5 | C4 | C3 | H6 | 120.6° | 120.0° |
| C5 | C4 | C3 | H7 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 166.2° | 180.0° |
| C5 | C4 | C3 | H4 | 46.0° | 60.0° |
| C5 | C4 | C3 | H5 | 73.6° | 60.0° |
| C5 | C4 | H6 | H7 | 118.2° | 120.0° |
| C4 | C5 | C6 | H8 | 55.1° | 180.0° |
| C4 | C5 | C6 | H9 | 175.1° | 60.0° |
| C4 | C5 | C6 | H10 | 64.9° | 60.0° |
| C4 | C5 | C7 | H44 | 54.0° | 60.0° |
| C4 | C5 | C7 | H45 | 66.0° | 60.0° |
| C4 | C5 | C7 | H46 | 173.9° | 180.0° |
| C4 | C3 | C2 | H4 | 120.2° | 120.0° |
| C4 | C3 | C2 | H5 | 120.2° | 120.0° |
| C4 | C3 | C2 | C1 | 162.4° | 180.0° |
| C4 | C3 | C2 | H2 | 77.5° | 60.0° |
| C4 | C3 | C2 | H3 | 42.4° | 60.0° |
| C4 | C3 | H4 | H5 | 119.3° | 120.0° |
| C3 | C4 | H6 | H7 | 118.1° | 120.0° |
| C3 | C2 | C1 | H2 | 120.1° | 120.0° |
| C3 | C2 | C1 | H3 | 120.1° | 120.0° |
| C3 | C2 | C1 | C | 80.9° | 65.0° |
| C3 | C2 | C1 | C8 | 159.8° | 175.0° |
| C3 | C2 | C1 | H1 | 37.2° | 55.0° |
| C3 | C2 | H2 | H3 | 119.8° | 120.0° |
| C2 | C3 | H4 | H5 | 119.3° | 120.0° |
| C2 | C3 | C4 | H6 | 73.2° | 59.9° |
| C2 | C3 | C4 | H7 | 45.6° | 60.0° |
| C2 | C1 | C | C8 | 124.3° | 120.0° |
| C2 | C1 | C | H1 | 118.1° | 120.0° |
| C2 | C1 | C8 | H1 | 122.7° | 119.9° |
| C2 | C1 | C8 | C9 | 88.5° | 177.1° |
| C2 | C1 | C8 | C13 | 33.4° | 61.4° |
| C1 | C2 | H2 | H3 | 119.8° | 120.1° |
| C1 | C2 | C3 | H4 | 42.2° | 60.0° |
| C1 | C2 | C3 | H5 | 77.4° | 60.0° |
| C2 | C1 | C | H31 | 180.0° | 59.9° |
| C2 | C1 | C | H32 | 60.0° | 180.0° |
| C2 | C1 | C | H33 | 60.0° | 60.0° |
| C2 | C1 | C8 | H47 | 151.5° | 60.8° |
| C10 | C9 | C17 | C16 | 52.0° | 50.6° |
| C10 | C9 | C8 | C1 | 58.1° | 33.3° |
| C10 | C9 | C17 | C8 | 131.5° | 125.2° |
| C10 | C9 | C17 | C11 | 119.8° | 118.5° |
| C10 | C9 | C8 | C11 | 116.9° | 115.9° |
| C10 | C9 | C8 | C13 | 69.9° | 85.6° |
| C10 | C9 | C11 | C14 | 63.2° | 52.2° |
| C10 | C9 | C11 | C12 | 65.6° | 70.0° |
| C10 | C9 | C11 | H11 | 178.8° | 172.4° |
| C10 | C9 | C17 | H18 | 171.6° | 170.2° |
| C10 | C9 | C17 | H19 | 67.7° | 68.7° |
| C9 | C10 | H34 | H35 | 120.0° | 120.0° |
| C9 | C10 | H34 | H36 | 120.0° | 120.0° |
| C9 | C10 | H35 | H36 | 120.0° | 120.0° |
| C10 | C9 | C8 | H47 | 177.7° | 155.4° |
| C26 | C25 | C24 | O3 | 4.6° | 106.9° |
| C26 | C25 | C24 | C23 | 114.6° | 133.4° |
| C26 | C25 | C20 | C21 | 118.3° | 136.9° |
| C26 | C25 | C20 | C24 | 154.7° | 180.0° |
| C26 | C25 | C20 | C19 | 46.4° | 43.1° |
| C26 | C25 | C24 | H26 | 127.6° | 13.7° |
| C25 | C26 | H28 | H29 | 180.0° | 180.0° |
| C17 | C16 | C15 | H16 | 120.8° | 120.3° |
| C17 | C16 | C15 | H17 | 120.8° | 120.7° |
| C16 | C17 | C9 | H18 | 119.6° | 119.6° |
| C16 | C17 | C9 | H19 | 119.7° | 119.3° |
| C16 | C17 | C9 | C8 | 176.5° | 175.8° |
| C16 | C17 | C9 | C11 | 67.8° | 67.9° |
| C17 | C16 | C15 | C14 | 37.4° | 49.0° |
| C17 | C16 | C15 | H14 | 158.3° | 169.3° |
| C17 | C16 | C15 | H15 | 83.5° | 71.3° |
| C17 | C16 | H16 | H17 | 117.4° | 118.8° |
| C16 | C17 | H18 | H19 | 121.1° | 121.0° |
| C15 | C16 | C17 | C9 | 60.2° | 59.5° |
| C16 | C15 | C14 | H14 | 120.9° | 120.3° |
| C16 | C15 | C14 | H15 | 120.9° | 120.3° |
| C16 | C15 | C14 | C18 | 115.8° | 129.7° |
| C16 | C15 | C14 | C11 | 24.4° | 50.2° |
| C16 | C15 | H14 | H15 | 117.2° | 119.4° |
| C15 | C16 | H16 | H17 | 117.4° | 119.3° |
| C15 | C16 | C17 | H18 | 59.4° | 60.4° |
| C15 | C16 | C17 | H19 | 179.9° | 178.6° |
| C | C1 | C8 | H1 | 117.8° | 120.1° |
| C | C1 | C8 | C9 | 152.0° | 62.9° |
| C | C1 | C8 | C13 | 86.1° | 178.5° |
| C | C1 | C2 | H2 | 39.1° | 175.0° |
| C | C1 | C2 | H3 | 159.0° | 55.0° |
| C1 | C | H31 | H32 | 120.0° | 120.0° |
| C1 | C | H31 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| C | C1 | C8 | H47 | 32.0° | 59.3° |
| C1 | C8 | C9 | C17 | 72.2° | 92.2° |
| C1 | C8 | C9 | C13 | 128.0° | 118.9° |
| C1 | C8 | C9 | H47 | 119.6° | 122.1° |
| C1 | C8 | C9 | C11 | 175.0° | 149.2° |
| C1 | C8 | C13 | H47 | 118.1° | 122.2° |
| C1 | C8 | C13 | C12 | 154.0° | 122.9° |
| C8 | C1 | C2 | H2 | 80.1° | 55.0° |
| C8 | C1 | C2 | H3 | 39.7° | 65.0° |
| C1 | C8 | C13 | H12 | 86.7° | 3.7° |
| C1 | C8 | C13 | H13 | 34.8° | 117.9° |
| C8 | C1 | C | H31 | 55.7° | 60.0° |
| C8 | C1 | C | H32 | 175.8° | 60.0° |
| C8 | C1 | C | H33 | 64.3° | 180.0° |
| C17 | C9 | C8 | C11 | 112.8° | 118.6° |
| C17 | C9 | C8 | C13 | 159.8° | 148.9° |
| C17 | C9 | C11 | C14 | 56.8° | 66.3° |
| C17 | C9 | C11 | C12 | 174.4° | 171.5° |
| C17 | C9 | C11 | H11 | 61.1° | 53.9° |
| C9 | C17 | C16 | H16 | 60.6° | 179.7° |
| C9 | C17 | C16 | H17 | 178.9° | 61.5° |
| C9 | C17 | H18 | H19 | 121.0° | 121.0° |
| C17 | C9 | C10 | H34 | 180.0° | 59.3° |
| C17 | C9 | C10 | H35 | 60.0° | 179.3° |
| C17 | C9 | C10 | H36 | 60.0° | 60.7° |
| C17 | C9 | C8 | H47 | 47.4° | 29.9° |
| O3 | C24 | C23 | C22 | 174.6° | 62.0° |
| O3 | C24 | C23 | C25 | 119.7° | 119.7° |
| O3 | C24 | C23 | H26 | 122.6° | 120.6° |
| O3 | C24 | C25 | C20 | 161.0° | 73.1° |
| O3 | C24 | C25 | H26 | 122.9° | 120.6° |
| O3 | C24 | C23 | H24 | 54.2° | 177.8° |
| O3 | C24 | C23 | H25 | 65.0° | 58.0° |
| C22 | C23 | C24 | H24 | 120.4° | 120.1° |
| C22 | C23 | C24 | H25 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 51.0° | 57.6° |
| C23 | C22 | C21 | O2 | 121.0° | 120.1° |
| C23 | C22 | C21 | H43 | 118.9° | 120.0° |
| C22 | C23 | C24 | C25 | 54.9° | 57.7° |
| C23 | C22 | O2 | H43 | 119.8° | 119.8° |
| C22 | C23 | H24 | H25 | 118.8° | 119.7° |
| C22 | C23 | C24 | H26 | 62.7° | 177.4° |
| C23 | C22 | C21 | H41 | 68.7° | 177.4° |
| C23 | C22 | C21 | H42 | 170.7° | 62.1° |
| C23 | C22 | O2 | H48 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 65.2° | 66.2° |
| C23 | C24 | C25 | C20 | 41.8° | 46.6° |
| C23 | C24 | C25 | H26 | 117.8° | 119.7° |
| C24 | C23 | C22 | O2 | 55.2° | 173.7° |
| C24 | C23 | H24 | H25 | 118.7° | 119.9° |
| C24 | C23 | C22 | H43 | 175.9° | 53.8° |
| C23 | C24 | O3 | H49 | 180.0° | 180.0° |
| C9 | C8 | C13 | H47 | 113.0° | 119.0° |
| C8 | C9 | C11 | C14 | 177.5° | 167.8° |
| C9 | C8 | C13 | C12 | 25.1° | 4.0° |
| C8 | C9 | C11 | C12 | 53.7° | 45.6° |
| C9 | C8 | C1 | H1 | 34.2° | 57.2° |
| C8 | C9 | C11 | H11 | 59.5° | 72.0° |
| C9 | C8 | C13 | H12 | 144.4° | 115.2° |
| C9 | C8 | C13 | H13 | 94.1° | 123.2° |
| C8 | C9 | C17 | H18 | 56.8° | 64.6° |
| C8 | C9 | C17 | H19 | 63.9° | 56.5° |
| C8 | C9 | C10 | H34 | 47.1° | 170.1° |
| C8 | C9 | C10 | H35 | 72.9° | 50.1° |
| C8 | C9 | C10 | H36 | 167.1° | 69.9° |
| C9 | C11 | C14 | C15 | 35.7° | 57.8° |
| C11 | C9 | C8 | C13 | 47.0° | 30.3° |
| C9 | C11 | C14 | C18 | 104.8° | 122.1° |
| C9 | C11 | C14 | C12 | 122.4° | 111.8° |
| C9 | C11 | C14 | H11 | 117.9° | 120.4° |
| C9 | C11 | C12 | C13 | 36.4° | 42.3° |
| C9 | C11 | C12 | H11 | 113.3° | 117.7° |
| C11 | C9 | C17 | H18 | 51.9° | 51.7° |
| C11 | C9 | C17 | H19 | 172.6° | 172.8° |
| C11 | C9 | C10 | H34 | 62.9° | 58.2° |
| C11 | C9 | C10 | H35 | 177.0° | 61.8° |
| C11 | C9 | C10 | H36 | 57.1° | 178.2° |
| C9 | C11 | C12 | H37 | 154.8° | 76.0° |
| C9 | C11 | C12 | H38 | 82.1° | 160.6° |
| C11 | C9 | C8 | H47 | 65.3° | 88.7° |
| C20 | C21 | C22 | H41 | 119.7° | 119.8° |
| C20 | C21 | C22 | H42 | 119.7° | 119.7° |
| C21 | C20 | C25 | C19 | 164.7° | 180.0° |
| C21 | C20 | C25 | C24 | 36.4° | 43.1° |
| C20 | C21 | C22 | O2 | 70.0° | 177.8° |
| C21 | C20 | C19 | C18 | 176.5° | 179.9° |
| C21 | C20 | C19 | H22 | 3.5° | 0.0° |
| C20 | C21 | H41 | H42 | 121.0° | 120.6° |
| C20 | C21 | C22 | H43 | 169.9° | 62.4° |
| C22 | C21 | C20 | C25 | 38.6° | 46.6° |
| C22 | C21 | C20 | C19 | 155.9° | 133.4° |
| C21 | C22 | O2 | H43 | 119.1° | 119.8° |
| C21 | C22 | C23 | H24 | 55.2° | 54.0° |
| C21 | C22 | C23 | H25 | 174.4° | 173.7° |
| C22 | C21 | H41 | H42 | 120.9° | 120.5° |
| C21 | C22 | O2 | H48 | 58.9° | 59.7° |
| C25 | C20 | C19 | C18 | 18.1° | 0.0° |
| C25 | C20 | C19 | H22 | 161.9° | 180.0° |
| C20 | C25 | C24 | H26 | 76.0° | 166.3° |
| C20 | C25 | C26 | H28 | 156.7° | 0.0° |
| C20 | C25 | C26 | H29 | 23.3° | 180.0° |
| C25 | C20 | C21 | H41 | 81.0° | 166.3° |
| C25 | C20 | C21 | H42 | 158.3° | 73.1° |
| C24 | C25 | C20 | C19 | 159.0° | 136.9° |
| C25 | C24 | C23 | H24 | 65.5° | 62.4° |
| C25 | C24 | C23 | H25 | 175.3° | 177.7° |
| C24 | C25 | C26 | H28 | 0.0° | 179.9° |
| C24 | C25 | C26 | H29 | 180.0° | 0.0° |
| C25 | C24 | O3 | H49 | 63.6° | 61.1° |
| C15 | C14 | C18 | C19 | 26.2° | 0.1° |
| C15 | C14 | C18 | C11 | 141.2° | 179.9° |
| C15 | C14 | C11 | C12 | 158.1° | 169.6° |
| C15 | C14 | C11 | H11 | 82.2° | 62.5° |
| C14 | C15 | H14 | H15 | 117.2° | 119.4° |
| C14 | C15 | C16 | H16 | 83.4° | 169.3° |
| C14 | C15 | C16 | H17 | 158.3° | 71.7° |
| C15 | C14 | C18 | H20 | 153.7° | 180.0° |
| C20 | C19 | C18 | H22 | 180.0° | 180.0° |
| C20 | C19 | C18 | C14 | 179.7° | 180.0° |
| C20 | C19 | C18 | H20 | 0.3° | 0.1° |
| C19 | C20 | C21 | H41 | 84.5° | 13.7° |
| C19 | C20 | C21 | H42 | 36.2° | 106.9° |
| O2 | C22 | C23 | H24 | 175.6° | 66.1° |
| O2 | C22 | C23 | H25 | 65.2° | 53.6° |
| O2 | C22 | C21 | H41 | 170.3° | 62.5° |
| O2 | C22 | C21 | H42 | 49.7° | 58.1° |
| C8 | C13 | C12 | H12 | 119.3° | 119.2° |
| C8 | C13 | C12 | H13 | 119.3° | 119.2° |
| C8 | C13 | C12 | C11 | 6.9° | 24.2° |
| C13 | C8 | C1 | H1 | 156.2° | 58.5° |
| C8 | C13 | H12 | H13 | 122.1° | 121.6° |
| C8 | C13 | C12 | H37 | 125.3° | 94.2° |
| C8 | C13 | C12 | H38 | 111.5° | 142.5° |
| C19 | C18 | C14 | H20 | 180.0° | 179.9° |
| C19 | C18 | C14 | C11 | 167.5° | 180.0° |
| C18 | C14 | C11 | C12 | 17.5° | 10.3° |
| C18 | C14 | C11 | H11 | 137.2° | 117.5° |
| C18 | C14 | C15 | H14 | 5.1° | 9.5° |
| C18 | C14 | C15 | H15 | 123.3° | 110.0° |
| C14 | C18 | C19 | H22 | 0.4° | 0.1° |
| C14 | C11 | C12 | C13 | 163.3° | 156.8° |
| C14 | C11 | C12 | H11 | 119.8° | 127.8° |
| C11 | C14 | C15 | H14 | 145.3° | 170.5° |
| C11 | C14 | C15 | H15 | 96.5° | 70.1° |
| C11 | C14 | C18 | H20 | 12.5° | 0.1° |
| C14 | C11 | C12 | H37 | 78.3° | 38.5° |
| C14 | C11 | C12 | H38 | 44.9° | 84.9° |
| C13 | C12 | C11 | H37 | 118.4° | 118.3° |
| C13 | C12 | C11 | H38 | 118.4° | 118.2° |
| C13 | C12 | C11 | H11 | 76.9° | 75.4° |
| C12 | C13 | H12 | H13 | 122.1° | 121.6° |
| C13 | C12 | H37 | H38 | 124.5° | 123.2° |
| C12 | C13 | C8 | H47 | 87.8° | 115.0° |
| C11 | C12 | C13 | H12 | 112.4° | 143.4° |
| C11 | C12 | C13 | H13 | 126.2° | 95.1° |
| C11 | C12 | H37 | H38 | 124.5° | 123.4° |
| H1 | C1 | C2 | H2 | 157.3° | 64.9° |
| H1 | C1 | C2 | H3 | 82.9° | 175.0° |
| H1 | C1 | C | H31 | 61.9° | 179.9° |
| H1 | C1 | C | H32 | 58.1° | 60.0° |
| H1 | C1 | C | H33 | 178.1° | 60.0° |
| H1 | C1 | C8 | H47 | 85.8° | 179.3° |
| H2 | C2 | C3 | H4 | 162.3° | 180.0° |
| H2 | C2 | C3 | H5 | 42.7° | 60.0° |
| H3 | C2 | C3 | H4 | 77.8° | 60.0° |
| H3 | C2 | C3 | H5 | 162.6° | 180.0° |
| H4 | C3 | C4 | H6 | 166.6° | 180.0° |
| H4 | C3 | C4 | H7 | 74.6° | 60.0° |
| H5 | C3 | C4 | H6 | 47.0° | 60.0° |
| H5 | C3 | C4 | H7 | 165.8° | NaN° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H37 | 41.5° | 166.3° |
| H11 | C11 | C12 | H38 | 164.7° | 42.8° |
| H12 | C13 | C12 | H37 | 6.0° | 25.0° |
| H12 | C13 | C12 | H38 | 129.2° | 98.3° |
| H12 | C13 | C8 | H47 | 31.4° | 125.8° |
| H13 | C13 | C12 | H37 | 115.4° | 146.6° |
| H13 | C13 | C12 | H38 | 7.8° | 23.2° |
| H13 | C13 | C8 | H47 | 152.9° | 4.2° |
| H14 | C15 | C16 | H16 | 37.5° | 70.4° |
| H14 | C15 | C16 | H17 | 80.8° | 48.6° |
| H15 | C15 | C16 | H16 | 155.7° | 49.0° |
| H15 | C15 | C16 | H17 | 37.4° | 168.0° |
| H16 | C16 | C17 | H18 | 179.8° | 59.8° |
| H16 | C16 | C17 | H19 | 59.0° | 61.2° |
| H17 | C16 | C17 | H18 | 61.4° | 178.6° |
| H17 | C16 | C17 | H19 | 59.3° | 57.6° |
| H20 | C18 | C19 | H22 | 179.6° | 180.0° |
| H24 | C23 | C24 | H26 | 176.8° | 57.3° |
| H24 | C23 | C22 | H43 | 63.7° | 174.0° |
| H25 | C23 | C24 | H26 | 57.7° | 62.6° |
| H25 | C23 | C22 | H43 | 55.5° | 66.3° |
| H26 | C24 | O3 | H49 | 58.3° | 59.4° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
| H34 | C10 | H35 | H36 | 120.0° | 120.0° |
| H41 | C21 | C22 | H43 | 50.2° | 57.4° |
| H42 | C21 | C22 | H43 | 70.4° | 177.9° |
| H43 | C22 | O2 | H48 | 60.2° | 60.1° |
| H44 | C7 | H45 | H46 | 120.0° | 120.0° |
