UYU
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 | |
| C5 | N | sing | 1.47Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.33Å | 1.52Å | |
| C16 | C17 | sing | 1.54Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C8 | sing | 1.53Å | 1.56Å | |
| C17 | C9 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| O1 | C24 | sing | 1.43Å | 1.41Å | |
| C21 | C20 | sing | 1.52Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.52Å | 1.50Å | |
| C9 | C11 | sing | 1.56Å | 1.53Å | |
| C25 | C20 | sing | 1.48Å | 1.33Å | |
| C25 | C24 | sing | 1.52Å | 1.54Å | |
| C20 | C19 | doub | 1.35Å | 1.54Å | |
| C15 | C14 | sing | 1.52Å | 1.50Å | |
| C19 | C18 | sing | 1.47Å | 1.55Å | |
| C22 | O | sing | 1.43Å | 1.42Å | |
| C8 | C13 | sing | 1.55Å | 1.56Å | |
| C18 | C14 | doub | 1.33Å | 1.53Å | |
| C14 | C11 | sing | 1.50Å | 1.52Å | |
| C13 | C12 | sing | 1.55Å | 1.62Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| 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 | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| N | H21 | sing | 1.01Å | 1.00Å | |
| N | H22 | sing | 1.01Å | 1.00Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| O | H27 | sing | 0.97Å | 0.95Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H51 | sing | 1.09Å | 1.10Å | |
| O1 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C7 | 105.9° | 109.5° |
| C6 | C5 | N | 108.5° | 109.5° |
| C6 | C5 | C4 | 110.7° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.4° | 109.4° |
| C5 | C6 | H10 | 109.4° | 109.5° |
| C7 | C5 | N | 111.3° | 109.5° |
| C7 | C5 | C4 | 111.2° | 109.5° |
| C5 | C7 | H49 | 109.5° | 109.5° |
| C5 | C7 | H50 | 109.4° | 109.4° |
| C5 | C7 | H51 | 109.4° | 109.5° |
| N | C5 | C4 | 109.2° | 109.4° |
| C5 | N | H21 | 109.5° | 111.0° |
| C5 | N | H22 | 109.5° | 111.0° |
| C5 | C4 | C3 | 113.2° | 109.5° |
| C5 | C4 | H6 | 108.5° | 109.5° |
| C5 | C4 | H7 | 108.5° | 109.5° |
| C4 | C3 | C2 | 111.4° | 109.5° |
| C4 | C3 | H4 | 109.0° | 109.5° |
| C4 | C3 | H5 | 109.0° | 109.4° |
| C3 | C4 | H6 | 108.5° | 109.5° |
| C3 | C4 | H7 | 108.5° | 109.4° |
| C3 | C2 | C1 | 108.6° | 109.5° |
| C3 | C2 | H2 | 109.7° | 109.4° |
| C3 | C2 | H3 | 109.7° | 109.5° |
| C2 | C3 | H4 | 109.0° | 109.5° |
| C2 | C3 | H5 | 109.0° | 109.5° |
| C2 | C1 | C | 107.2° | 109.4° |
| C2 | C1 | C8 | 116.4° | 109.5° |
| C2 | C1 | H1 | 108.1° | 109.4° |
| C1 | C2 | H2 | 109.7° | 109.4° |
| C1 | C2 | H3 | 109.7° | 109.4° |
| C10 | C9 | C17 | 109.4° | 108.8° |
| C10 | C9 | C8 | 113.3° | 109.3° |
| C10 | C9 | C11 | 111.0° | 109.2° |
| C9 | C10 | H28 | 109.5° | 109.5° |
| C9 | C10 | H29 | 109.5° | 109.5° |
| C9 | C10 | H30 | 109.4° | 109.5° |
| C26 | C25 | C20 | 118.3° | 121.6° |
| C26 | C25 | C24 | 112.5° | 121.6° |
| C25 | C26 | H18 | 120.0° | 120.0° |
| C25 | C26 | H19 | 120.0° | 120.0° |
| C17 | C16 | C15 | 117.8° | 111.8° |
| C16 | C17 | C9 | 109.6° | 107.5° |
| C17 | C16 | H37 | 107.3° | 109.0° |
| C17 | C16 | H38 | 107.4° | 109.0° |
| C16 | C17 | H39 | 109.4° | 109.8° |
| C16 | C17 | H40 | 109.4° | 109.8° |
| C16 | C15 | C14 | 117.4° | 110.7° |
| C16 | C15 | H35 | 107.5° | 109.2° |
| C16 | C15 | H36 | 107.5° | 109.2° |
| C15 | C16 | H37 | 107.4° | 109.0° |
| C15 | C16 | H38 | 107.3° | 109.0° |
| C | C1 | C8 | 108.8° | 109.5° |
| C | C1 | H1 | 108.2° | 109.4° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.5° | 109.5° |
| C1 | C | H26 | 109.5° | 109.4° |
| C1 | C8 | C9 | 115.6° | 110.3° |
| C1 | C8 | C13 | 115.8° | 110.4° |
| C8 | C1 | H1 | 107.9° | 109.5° |
| C1 | C8 | H11 | 106.9° | 110.3° |
| C17 | C9 | C8 | 116.2° | 118.4° |
| C17 | C9 | C11 | 107.8° | 107.6° |
| C9 | C17 | H39 | 109.5° | 109.9° |
| C9 | C17 | H40 | 109.5° | 109.9° |
| C24 | C23 | C22 | 110.5° | 109.8° |
| C23 | C24 | O1 | 112.4° | 109.7° |
| C23 | C24 | C25 | 104.1° | 108.4° |
| C23 | C24 | H16 | 108.1° | 109.7° |
| C24 | C23 | H47 | 109.2° | 109.4° |
| C24 | C23 | H48 | 109.2° | 109.4° |
| C23 | C22 | C21 | 106.4° | 109.8° |
| C23 | C22 | O | 111.5° | 109.5° |
| C23 | C22 | H46 | 108.5° | 109.4° |
| C22 | C23 | H47 | 109.2° | 109.4° |
| C22 | C23 | H48 | 109.2° | 109.4° |
| O1 | C24 | C25 | 114.2° | 109.6° |
| O1 | C24 | H16 | 109.7° | 109.6° |
| C24 | O1 | H52 | 109.5° | 114.1° |
| C20 | C21 | C22 | 106.5° | 108.3° |
| C21 | C20 | C25 | 120.1° | 116.8° |
| C21 | C20 | C19 | 116.0° | 121.6° |
| C20 | C21 | H44 | 110.2° | 109.6° |
| C20 | C21 | H45 | 110.2° | 109.7° |
| C21 | C22 | O | 112.1° | 109.4° |
| C22 | C21 | H44 | 110.2° | 109.7° |
| C22 | C21 | H45 | 110.2° | 109.7° |
| C21 | C22 | H46 | 108.3° | 109.4° |
| C8 | C9 | C11 | 98.5° | 103.2° |
| C9 | C8 | C13 | 103.6° | 105.0° |
| C9 | C8 | H11 | 107.6° | 110.4° |
| C9 | C11 | C14 | 113.3° | 105.5° |
| C9 | C11 | C12 | 104.0° | 101.3° |
| C9 | C11 | H31 | 107.4° | 110.9° |
| C20 | C25 | C24 | 121.7° | 116.8° |
| C25 | C20 | C19 | 122.0° | 121.6° |
| C25 | C24 | H16 | 107.9° | 109.7° |
| C20 | C19 | C18 | 115.4° | 120.0° |
| C20 | C19 | H14 | 122.3° | 120.0° |
| C15 | C14 | C18 | 114.6° | 122.4° |
| C15 | C14 | C11 | 117.3° | 115.3° |
| C14 | C15 | H35 | 107.5° | 109.3° |
| C14 | C15 | H36 | 107.4° | 109.3° |
| C19 | C18 | C14 | 113.6° | 120.0° |
| C18 | C19 | H14 | 122.3° | 120.0° |
| C19 | C18 | H41 | 123.2° | 120.0° |
| C22 | O | H27 | 109.5° | 114.0° |
| O | C22 | H46 | 109.8° | 109.4° |
| C8 | C13 | C12 | 104.6° | 106.4° |
| C13 | C8 | H11 | 106.8° | 110.4° |
| C8 | C13 | H32 | 110.7° | 110.0° |
| C8 | C13 | H33 | 110.7° | 110.1° |
| C18 | C14 | C11 | 115.7° | 122.4° |
| C14 | C18 | H41 | 123.2° | 120.0° |
| C14 | C11 | C12 | 117.0° | 116.7° |
| C14 | C11 | H31 | 107.4° | 111.1° |
| C13 | C12 | C11 | 100.0° | 102.7° |
| C13 | C12 | H12 | 111.8° | 110.7° |
| C13 | C12 | H13 | 111.8° | 110.9° |
| C12 | C13 | H32 | 110.7° | 110.1° |
| C12 | C13 | H33 | 110.7° | 110.1° |
| C11 | C12 | H12 | 111.8° | 110.8° |
| C11 | C12 | H13 | 111.8° | 110.7° |
| C12 | C11 | H31 | 107.2° | 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 | 109.5° | 109.5° |
| H8 | C6 | H10 | 109.4° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 110.7° |
| H18 | C26 | H19 | 120.1° | 120.0° |
| H21 | N | H22 | 109.5° | 111.0° |
| H24 | C | H25 | 109.5° | 109.5° |
| H24 | C | H26 | 109.4° | 109.4° |
| H25 | C | H26 | 109.5° | 109.4° |
| H28 | C10 | H29 | 109.5° | 109.4° |
| H28 | C10 | H30 | 109.5° | 109.4° |
| H29 | C10 | H30 | 109.5° | 109.5° |
| H32 | C13 | H33 | 109.5° | 110.1° |
| H35 | C15 | H36 | 109.5° | 109.2° |
| H37 | C16 | H38 | 109.5° | 108.9° |
| H39 | C17 | H40 | 109.5° | 109.9° |
| H44 | C21 | H45 | 109.5° | 109.7° |
| H47 | C23 | H48 | 109.5° | 109.4° |
| H49 | C7 | H50 | 109.5° | 109.4° |
| H49 | C7 | H51 | 109.5° | 109.5° |
| H50 | C7 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C7 | N | 117.7° | 120.0° |
| C6 | C5 | C7 | C4 | 120.3° | 120.0° |
| C6 | C5 | N | C4 | 120.7° | 120.0° |
| C6 | C5 | C4 | C3 | 151.1° | 60.0° |
| C6 | C5 | C4 | H6 | 88.4° | 180.0° |
| C6 | C5 | C4 | H7 | 30.5° | 60.0° |
| 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 | N | H21 | 180.0° | 180.0° |
| C6 | C5 | N | H22 | 60.0° | 56.1° |
| C6 | C5 | C7 | H49 | 180.0° | 180.0° |
| C6 | C5 | C7 | H50 | 60.0° | 60.0° |
| C6 | C5 | C7 | H51 | 60.0° | 60.0° |
| C7 | C5 | N | C4 | 123.2° | 120.0° |
| C7 | C5 | C4 | C3 | 33.6° | 180.0° |
| C7 | C5 | C4 | H6 | 154.2° | 60.0° |
| C7 | C5 | C4 | H7 | 86.9° | 60.0° |
| C7 | C5 | C6 | H8 | 180.0° | 60.0° |
| C7 | C5 | C6 | H9 | 60.0° | 60.0° |
| C7 | C5 | C6 | H10 | 60.0° | 179.9° |
| C7 | C5 | N | H21 | 63.8° | 60.1° |
| C7 | C5 | N | H22 | 56.2° | 63.9° |
| C5 | C7 | H49 | H50 | 120.0° | 119.9° |
| C5 | C7 | H49 | H51 | 120.0° | 120.1° |
| C5 | C7 | H50 | H51 | 120.0° | 120.0° |
| N | C5 | C4 | C3 | 89.6° | 60.0° |
| N | C5 | C4 | H6 | 30.9° | 60.0° |
| N | C5 | C4 | H7 | 149.8° | 180.0° |
| N | C5 | C6 | H8 | 60.4° | 60.0° |
| N | C5 | C6 | H9 | 59.6° | 180.0° |
| N | C5 | C6 | H10 | 179.6° | 60.0° |
| C5 | N | H21 | H22 | 120.0° | 124.0° |
| N | C5 | C7 | H49 | 62.2° | 60.1° |
| N | C5 | C7 | H50 | 177.7° | 180.0° |
| N | C5 | C7 | H51 | 57.7° | 60.0° |
| C5 | C4 | C3 | H6 | 120.6° | 120.1° |
| C5 | C4 | C3 | H7 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 173.7° | 179.9° |
| C5 | C4 | C3 | H4 | 66.1° | 59.9° |
| C5 | C4 | C3 | H5 | 53.4° | 60.0° |
| C5 | C4 | H6 | H7 | 118.3° | 120.0° |
| C4 | C5 | C6 | H8 | 59.4° | 179.9° |
| C4 | C5 | C6 | H9 | 179.4° | 60.1° |
| C4 | C5 | C6 | H10 | 60.6° | 60.0° |
| C4 | C5 | N | H21 | 59.3° | 60.0° |
| C4 | C5 | N | H22 | 179.3° | 176.0° |
| C4 | C5 | C7 | H49 | 59.7° | 59.9° |
| C4 | C5 | C7 | H50 | 60.3° | 60.0° |
| C4 | C5 | C7 | H51 | 179.7° | 180.0° |
| C4 | C3 | C2 | H4 | 120.3° | 120.0° |
| C4 | C3 | C2 | H5 | 120.3° | 120.0° |
| C4 | C3 | C2 | C1 | 165.7° | 180.0° |
| C4 | C3 | C2 | H2 | 45.9° | 60.0° |
| C4 | C3 | C2 | H3 | 74.4° | 60.0° |
| C4 | C3 | H4 | H5 | 119.1° | 119.9° |
| C3 | C4 | H6 | H7 | 118.3° | 119.9° |
| C3 | C2 | C1 | H2 | 119.9° | 120.0° |
| C3 | C2 | C1 | H3 | 119.9° | 120.1° |
| C3 | C2 | C1 | C | 96.8° | 65.0° |
| C3 | C2 | C1 | C8 | 141.2° | 175.0° |
| C3 | C2 | C1 | H1 | 19.6° | 55.0° |
| C3 | C2 | H2 | H3 | 120.4° | 120.0° |
| C2 | C3 | H4 | H5 | 119.1° | 120.0° |
| C2 | C3 | C4 | H6 | 53.1° | 60.0° |
| C2 | C3 | C4 | H7 | 65.8° | 59.9° |
| C2 | C1 | C | C8 | 126.7° | 120.0° |
| C2 | C1 | C | H1 | 116.4° | 119.9° |
| C2 | C1 | C8 | H1 | 121.7° | 120.0° |
| C2 | C1 | C8 | C9 | 85.6° | 177.1° |
| C2 | C1 | C8 | C13 | 35.8° | 61.5° |
| C1 | C2 | H2 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | H4 | 74.0° | 60.0° |
| C1 | C2 | C3 | H5 | 45.5° | 60.0° |
| C2 | C1 | C8 | H11 | 154.6° | 60.7° |
| C2 | C1 | C | H24 | 180.0° | 180.0° |
| C2 | C1 | C | H25 | 60.0° | 59.9° |
| C2 | C1 | C | H26 | 60.0° | 60.1° |
| C10 | C9 | C17 | C16 | 59.6° | 50.1° |
| C10 | C9 | C8 | C1 | 58.2° | 33.1° |
| C10 | C9 | C17 | C8 | 129.9° | 125.5° |
| C10 | C9 | C17 | C11 | 120.9° | 118.2° |
| C10 | C9 | C8 | C11 | 117.3° | 116.1° |
| C10 | C9 | C8 | C13 | 69.6° | 85.9° |
| C10 | C9 | C11 | C14 | 63.5° | 51.5° |
| C10 | C9 | C11 | C12 | 64.6° | 70.6° |
| C10 | C9 | C8 | H11 | 177.5° | 155.2° |
| C9 | C10 | H28 | H29 | 120.0° | 120.0° |
| C9 | C10 | H28 | H30 | 120.0° | 120.0° |
| C9 | C10 | H29 | H30 | 120.0° | 120.0° |
| C10 | C9 | C11 | H31 | 178.0° | 171.8° |
| C10 | C9 | C17 | H39 | 179.7° | 69.4° |
| C10 | C9 | C17 | H40 | 60.4° | 169.6° |
| C26 | C25 | C24 | C23 | 108.8° | 133.4° |
| C26 | C25 | C24 | O1 | 14.2° | 106.9° |
| C26 | C25 | C20 | C21 | 111.9° | 136.9° |
| C26 | C25 | C20 | C24 | 147.5° | 179.9° |
| C26 | C25 | C20 | C19 | 51.9° | 43.1° |
| C26 | C25 | C24 | H16 | 136.5° | 13.6° |
| C25 | C26 | H18 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H37 | 121.2° | 120.6° |
| C17 | C16 | C15 | H38 | 121.2° | 120.6° |
| C16 | C17 | C9 | H39 | 120.0° | 119.5° |
| C16 | C17 | C9 | H40 | 120.0° | 119.5° |
| C16 | C17 | C9 | C8 | 170.5° | 175.6° |
| C16 | C17 | C9 | C11 | 61.2° | 68.1° |
| C17 | C16 | C15 | C14 | 30.2° | 48.6° |
| C17 | C16 | C15 | H35 | 151.3° | 71.7° |
| C17 | C16 | C15 | H36 | 90.9° | 169.0° |
| C17 | C16 | H37 | H38 | 116.2° | 118.9° |
| C16 | C17 | H39 | H40 | 119.9° | 120.9° |
| C15 | C16 | C17 | C9 | 49.6° | 59.1° |
| C16 | C15 | C14 | H35 | 121.1° | 120.2° |
| C16 | C15 | C14 | H36 | 121.2° | 120.3° |
| C16 | C15 | C14 | C18 | 117.0° | 129.8° |
| C16 | C15 | C14 | C11 | 23.5° | 50.2° |
| C16 | C15 | H35 | H36 | 116.4° | 119.3° |
| C15 | C16 | H37 | H38 | 116.2° | 118.8° |
| C15 | C16 | C17 | H39 | 70.5° | 178.6° |
| C15 | C16 | C17 | H40 | 169.6° | 60.4° |
| C | C1 | C8 | H1 | 117.1° | 120.0° |
| C | C1 | C8 | C9 | 153.2° | 62.9° |
| C | C1 | C8 | C13 | 85.4° | 178.5° |
| C | C1 | C2 | H2 | 23.1° | 175.1° |
| C | C1 | C2 | H3 | 143.3° | 55.1° |
| C | C1 | C8 | H11 | 33.5° | 59.3° |
| C1 | C | H24 | H25 | 120.0° | 120.1° |
| C1 | C | H24 | H26 | 120.0° | 119.9° |
| C1 | C | H25 | H26 | 120.0° | 120.0° |
| C1 | C8 | C9 | C17 | 69.8° | 92.2° |
| C1 | C8 | C9 | C13 | 127.8° | 118.9° |
| C1 | C8 | C9 | H11 | 119.3° | 122.1° |
| C1 | C8 | C9 | C11 | 175.5° | 149.1° |
| C1 | C8 | C13 | H11 | 118.9° | 122.1° |
| C1 | C8 | C13 | C12 | 152.9° | 122.8° |
| C8 | C1 | C2 | H2 | 98.9° | 55.0° |
| C8 | C1 | C2 | H3 | 21.3° | 65.0° |
| C8 | C1 | C | H24 | 53.3° | 59.9° |
| C8 | C1 | C | H25 | 173.3° | 180.0° |
| C8 | C1 | C | H26 | 66.6° | 60.0° |
| C1 | C8 | C13 | H32 | 87.9° | 117.9° |
| C1 | C8 | C13 | H33 | 33.6° | 3.6° |
| C17 | C9 | C8 | C11 | 114.7° | 118.6° |
| C17 | C9 | C8 | C13 | 162.4° | 148.9° |
| C17 | C9 | C11 | C14 | 56.4° | 66.5° |
| C17 | C9 | C11 | C12 | 175.5° | 171.5° |
| C17 | C9 | C8 | H11 | 49.6° | 29.9° |
| C17 | C9 | C10 | H28 | 180.0° | 62.3° |
| C17 | C9 | C10 | H29 | 60.0° | 57.7° |
| C17 | C9 | C10 | H30 | 60.0° | 177.7° |
| C17 | C9 | C11 | H31 | 62.1° | 53.8° |
| C9 | C17 | C16 | H37 | 71.6° | 179.7° |
| C9 | C17 | C16 | H38 | 170.8° | 61.5° |
| C9 | C17 | H39 | H40 | 120.0° | 121.0° |
| C24 | C23 | C22 | H47 | 120.1° | 120.1° |
| C24 | C23 | C22 | H48 | 120.2° | 120.1° |
| C23 | C24 | O1 | C25 | 118.4° | 118.9° |
| C23 | C24 | O1 | H16 | 120.4° | 120.5° |
| C24 | C23 | C22 | C21 | 72.7° | 66.2° |
| C23 | C24 | C25 | C20 | 40.4° | 46.6° |
| C23 | C24 | C25 | H16 | 114.7° | 119.8° |
| C24 | C23 | C22 | O | 49.8° | 173.7° |
| C24 | C23 | C22 | H46 | 170.9° | 53.8° |
| C24 | C23 | H47 | H48 | 119.5° | 119.9° |
| C23 | C24 | O1 | H52 | 180.0° | 179.4° |
| C22 | C23 | C24 | O1 | 177.6° | 62.0° |
| C23 | C22 | C21 | C20 | 58.3° | 57.7° |
| C23 | C22 | C21 | O | 122.2° | 120.1° |
| C23 | C22 | C21 | H46 | 116.5° | 120.1° |
| C22 | C23 | C24 | C25 | 58.2° | 57.7° |
| C23 | C22 | O | H46 | 120.3° | 119.9° |
| C22 | C23 | C24 | H16 | 56.4° | 177.5° |
| C23 | C22 | O | H27 | 180.0° | 179.7° |
| C23 | C22 | C21 | H44 | 61.2° | 177.4° |
| C23 | C22 | C21 | H45 | 177.8° | 62.0° |
| C22 | C23 | H47 | H48 | 119.5° | 119.8° |
| O1 | C24 | C25 | C20 | 163.4° | 73.2° |
| O1 | C24 | C25 | H16 | 122.3° | 120.5° |
| O1 | C24 | C23 | H47 | 57.5° | 177.9° |
| O1 | C24 | C23 | H48 | 62.2° | 58.1° |
| C20 | C21 | C22 | H44 | 119.5° | 119.7° |
| C20 | C21 | C22 | H45 | 119.5° | 119.7° |
| C21 | C20 | C25 | C19 | 163.8° | 180.0° |
| C21 | C20 | C25 | C24 | 35.6° | 43.0° |
| C21 | C20 | C19 | C18 | 179.1° | 180.0° |
| C20 | C21 | C22 | O | 63.9° | 177.8° |
| C21 | C20 | C19 | H14 | 0.8° | 0.0° |
| C20 | C21 | H44 | H45 | 121.4° | 120.6° |
| C20 | C21 | C22 | H46 | 174.8° | 62.4° |
| C22 | C21 | C20 | C25 | 42.6° | 46.6° |
| C22 | C21 | C20 | C19 | 152.6° | 133.4° |
| C21 | C22 | O | H46 | 120.5° | 119.8° |
| C21 | C22 | O | H27 | 60.8° | 60.0° |
| C22 | C21 | H44 | H45 | 121.4° | 120.6° |
| C21 | C22 | C23 | H47 | 167.1° | 53.9° |
| C21 | C22 | C23 | H48 | 47.4° | 173.6° |
| C9 | C8 | C13 | H11 | 113.4° | 119.0° |
| C8 | C9 | C11 | C14 | 177.5° | 167.6° |
| C9 | C8 | C13 | C12 | 25.2° | 4.0° |
| C8 | C9 | C11 | C12 | 54.5° | 45.6° |
| C9 | C8 | C1 | H1 | 36.1° | 57.1° |
| C8 | C9 | C10 | H28 | 48.6° | 68.3° |
| C8 | C9 | C10 | H29 | 71.4° | 171.7° |
| C8 | C9 | C10 | H30 | 168.6° | 51.7° |
| C8 | C9 | C11 | H31 | 59.0° | 72.0° |
| C9 | C8 | C13 | H32 | 144.4° | 123.2° |
| C9 | C8 | C13 | H33 | 94.0° | 115.3° |
| C8 | C9 | C17 | H39 | 50.5° | 56.1° |
| C8 | C9 | C17 | H40 | 69.5° | 64.9° |
| C9 | C11 | C14 | C15 | 38.0° | 58.1° |
| C11 | C9 | C8 | C13 | 47.7° | 30.2° |
| C9 | C11 | C14 | C18 | 102.1° | 121.9° |
| C9 | C11 | C14 | C12 | 121.0° | 111.5° |
| C9 | C11 | C14 | H31 | 118.5° | 120.2° |
| C9 | C11 | C12 | C13 | 37.3° | 42.3° |
| C9 | C11 | C12 | H31 | 113.6° | 117.7° |
| C11 | C9 | C8 | H11 | 65.2° | 88.8° |
| C9 | C11 | C12 | H12 | 155.8° | 76.0° |
| C9 | C11 | C12 | H13 | 81.1° | 160.8° |
| C11 | C9 | C10 | H28 | 61.1° | 179.5° |
| C11 | C9 | C10 | H29 | 178.9° | 59.5° |
| C11 | C9 | C10 | H30 | 58.9° | 60.5° |
| C11 | C9 | C17 | H39 | 58.8° | 172.5° |
| C11 | C9 | C17 | H40 | 178.8° | 51.4° |
| C25 | C20 | C19 | C18 | 16.4° | 0.0° |
| C25 | C20 | C19 | H14 | 163.6° | 180.0° |
| C20 | C25 | C24 | H16 | 74.3° | 166.3° |
| C20 | C25 | C26 | H18 | 150.3° | 0.1° |
| C20 | C25 | C26 | H19 | 29.7° | 180.0° |
| C25 | C20 | C21 | H44 | 76.9° | 166.3° |
| C25 | C20 | C21 | H45 | 162.1° | 73.1° |
| C24 | C25 | C20 | C19 | 160.6° | 137.0° |
| C24 | C25 | C26 | H18 | 0.0° | 180.0° |
| C24 | C25 | C26 | H19 | 180.0° | 0.1° |
| C25 | C24 | C23 | H47 | 178.4° | 62.4° |
| C25 | C24 | C23 | H48 | 61.9° | 177.8° |
| C25 | C24 | O1 | H52 | 61.6° | 60.4° |
| C20 | C19 | C18 | H14 | 180.0° | 179.9° |
| C20 | C19 | C18 | C14 | 174.9° | 180.0° |
| C20 | C19 | C18 | H41 | 5.1° | 0.1° |
| C19 | C20 | C21 | H44 | 87.8° | 13.7° |
| C19 | C20 | C21 | H45 | 33.1° | 106.9° |
| C15 | C14 | C18 | C19 | 28.6° | 0.0° |
| C15 | C14 | C18 | C11 | 141.2° | 180.0° |
| C15 | C14 | C11 | C12 | 159.0° | 169.6° |
| C15 | C14 | C11 | H31 | 80.4° | 62.1° |
| C14 | C15 | H35 | H36 | 116.4° | 119.5° |
| C14 | C15 | C16 | H37 | 91.0° | 169.2° |
| C14 | C15 | C16 | H38 | 151.4° | 72.0° |
| C15 | C14 | C18 | H41 | 151.5° | 179.9° |
| C19 | C18 | C14 | H41 | 180.0° | 179.9° |
| C19 | C18 | C14 | C11 | 169.8° | 180.0° |
| O | C22 | C21 | H44 | 176.6° | 62.5° |
| O | C22 | C21 | H45 | 55.6° | 58.1° |
| O | C22 | C23 | H47 | 70.3° | 66.2° |
| O | C22 | C23 | H48 | 170.0° | 53.6° |
| C8 | C13 | C12 | H32 | 119.2° | 119.2° |
| C8 | C13 | C12 | H33 | 119.2° | 119.2° |
| C8 | C13 | C12 | C11 | 7.5° | 24.2° |
| C13 | C8 | C1 | H1 | 157.5° | 58.5° |
| C8 | C13 | C12 | H12 | 126.0° | 94.1° |
| C8 | C13 | C12 | H13 | 110.9° | 142.5° |
| C8 | C13 | H32 | H33 | 122.3° | 121.5° |
| C18 | C14 | C11 | C12 | 18.9° | 10.3° |
| C14 | C18 | C19 | H14 | 5.1° | 0.1° |
| C18 | C14 | C11 | H31 | 139.4° | 117.9° |
| C18 | C14 | C15 | H35 | 4.1° | 110.0° |
| C18 | C14 | C15 | H36 | 121.8° | 9.5° |
| C14 | C11 | C12 | C13 | 163.1° | 156.2° |
| C14 | C11 | C12 | H31 | 120.7° | 128.4° |
| C14 | C11 | C12 | H12 | 78.5° | 37.9° |
| C14 | C11 | C12 | H13 | 44.7° | 85.3° |
| C11 | C14 | C15 | H35 | 144.7° | 70.0° |
| C11 | C14 | C15 | H36 | 97.6° | 170.5° |
| C11 | C14 | C18 | H41 | 10.2° | 0.1° |
| C13 | C12 | C11 | H12 | 118.5° | 118.3° |
| C13 | C12 | C11 | H13 | 118.4° | 118.5° |
| C12 | C13 | C8 | H11 | 88.3° | 115.0° |
| C13 | C12 | H12 | H13 | 124.4° | 123.5° |
| C13 | C12 | C11 | H31 | 76.2° | 75.4° |
| C12 | C13 | H32 | H33 | 122.3° | 121.6° |
| C11 | C12 | H12 | H13 | 124.4° | 123.3° |
| C11 | C12 | C13 | H32 | 111.7° | 95.0° |
| C11 | C12 | C13 | H33 | 126.7° | 143.4° |
| H1 | C1 | C2 | H2 | 139.5° | 65.0° |
| H1 | C1 | C2 | H3 | 100.3° | 175.0° |
| H1 | C1 | C8 | H11 | 83.7° | 179.3° |
| H1 | C1 | C | H24 | 63.6° | 60.1° |
| H1 | C1 | C | H25 | 56.4° | 60.0° |
| H1 | C1 | C | H26 | 176.4° | 180.0° |
| H2 | C2 | C3 | H4 | 166.2° | 180.0° |
| H2 | C2 | C3 | H5 | 74.4° | 60.0° |
| H3 | C2 | C3 | H4 | 45.9° | 60.0° |
| H3 | C2 | C3 | H5 | 165.4° | 180.0° |
| H4 | C3 | C4 | H6 | 173.4° | 180.0° |
| H4 | C3 | C4 | H7 | 54.5° | 60.1° |
| H5 | C3 | C4 | H6 | 67.2° | 60.1° |
| H5 | C3 | C4 | H7 | 173.9° | NaN° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | C8 | C13 | H32 | 31.0° | 4.2° |
| H11 | C8 | C13 | H33 | 152.5° | 125.7° |
| H12 | C12 | C11 | H31 | 42.2° | 166.3° |
| H12 | C12 | C13 | H32 | 6.8° | 146.7° |
| H12 | C12 | C13 | H33 | 114.8° | 25.1° |
| H13 | C12 | C11 | H31 | 165.3° | 43.1° |
| H13 | C12 | C13 | H32 | 129.9° | 23.3° |
| H13 | C12 | C13 | H33 | 8.3° | 98.2° |
| H14 | C19 | C18 | H41 | 174.9° | 180.0° |
| H16 | C24 | C23 | H47 | 63.8° | 57.4° |
| H16 | C24 | C23 | H48 | 176.5° | 62.5° |
| H16 | C24 | O1 | H52 | 59.7° | 60.1° |
| H24 | C | H25 | H26 | 120.0° | 119.9° |
| H27 | O | C22 | H46 | 59.7° | 59.8° |
| H28 | C10 | H29 | H30 | 120.0° | 119.9° |
| H35 | C15 | C16 | H37 | 30.1° | 48.9° |
| H35 | C15 | C16 | H38 | 87.5° | 167.7° |
| H36 | C15 | C16 | H37 | 147.9° | 70.5° |
| H36 | C15 | C16 | H38 | 30.3° | 48.3° |
| H37 | C16 | C17 | H39 | 168.3° | 60.9° |
| H37 | C16 | C17 | H40 | 48.4° | 60.1° |
| H38 | C16 | C17 | H39 | 50.7° | 58.0° |
| H38 | C16 | C17 | H40 | 69.2° | 179.0° |
| H44 | C21 | C22 | H46 | 55.3° | 57.3° |
| H45 | C21 | C22 | H46 | 65.6° | 177.9° |
| H46 | C22 | C23 | H47 | 50.7° | 174.0° |
| H46 | C22 | C23 | H48 | 69.0° | 66.3° |
| H49 | C7 | H50 | H51 | 120.0° | 120.0° |
