7LZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C12 | sing | 1.53Å | 1.53Å | |
| O9 | C9 | sing | 1.43Å | 1.44Å | |
| O13 | C13 | sing | 1.43Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | doub | 1.30Å | 1.42Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.58Å | |
| O7 | C7 | sing | 1.43Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C14 | C28 | sing | 1.53Å | 1.60Å | |
| C14 | C15 | sing | 1.52Å | 1.59Å | |
| C26 | C25 | doub | 1.33Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | doub | 1.33Å | 1.50Å | |
| C6 | C5 | sing | 1.50Å | 1.60Å | |
| C6 | C61 | sing | 1.53Å | 1.58Å | |
| C5 | C4 | doub | 1.34Å | 1.42Å | |
| C23 | C22 | sing | 1.51Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | C29 | sing | 1.53Å | 1.58Å | |
| C4 | C3 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.52Å | 1.57Å | |
| C3 | C2 | doub | 1.34Å | 1.49Å | |
| C22 | C31 | sing | 1.53Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.41Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| O21 | C21 | sing | 1.43Å | 1.46Å | |
| O21 | C1 | sing | 1.36Å | 1.33Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | C30 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C19 | O19 | sing | 1.43Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | H71 | sing | 0.97Å | 0.95Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O9 | H91 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | H57 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C15 | H56 | sing | 1.09Å | 1.10Å | |
| C15 | H54 | sing | 1.10Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H53 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.10Å | 1.10Å | |
| C18 | H49 | sing | 1.11Å | 1.10Å | |
| C18 | H48 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O19 | H47 | sing | 0.97Å | 0.95Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C61 | H29 | sing | 1.09Å | 1.10Å | |
| C61 | H30 | sing | 1.09Å | 1.10Å | |
| C61 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C12 | C13 | 112.4° | 109.3° |
| C27 | C12 | C11 | 106.6° | 108.6° |
| C27 | C12 | H12 | 107.0° | 109.4° |
| C12 | C27 | H32 | 109.5° | 109.5° |
| C12 | C27 | H33 | 109.5° | 109.5° |
| C12 | C27 | H34 | 109.5° | 109.4° |
| O9 | C9 | C10 | 105.6° | 109.8° |
| O9 | C9 | C8 | 111.9° | 109.7° |
| O9 | C9 | H9 | 111.4° | 109.7° |
| C9 | O9 | H91 | 109.5° | 114.0° |
| O13 | C13 | C12 | 110.1° | 109.5° |
| O13 | C13 | C14 | 109.9° | 109.4° |
| O13 | C13 | H13 | 109.8° | 109.0° |
| C13 | O13 | H57 | 109.5° | 114.0° |
| C13 | C12 | C11 | 116.6° | 109.6° |
| C12 | C13 | C14 | 109.8° | 111.1° |
| C13 | C12 | H12 | 106.3° | 110.3° |
| C12 | C13 | H13 | 108.3° | 108.8° |
| C12 | C11 | C10 | 128.9° | 121.5° |
| C12 | C11 | H11 | 115.6° | 119.5° |
| C11 | C12 | H12 | 107.5° | 109.6° |
| C13 | C14 | C28 | 107.5° | 109.6° |
| C13 | C14 | C15 | 114.3° | 110.0° |
| C14 | C13 | H13 | 108.9° | 109.1° |
| C13 | C14 | H14 | 107.6° | 108.3° |
| C11 | C10 | C9 | 122.4° | 122.3° |
| C11 | C10 | H10 | 118.8° | 119.3° |
| C10 | C11 | H11 | 115.6° | 119.0° |
| C10 | C9 | C8 | 108.0° | 108.7° |
| C10 | C9 | H9 | 110.4° | 109.4° |
| C9 | C10 | H10 | 118.8° | 118.4° |
| C9 | C8 | C7 | 113.4° | 110.9° |
| C9 | C8 | H81 | 108.5° | 109.2° |
| C9 | C8 | H82 | 108.5° | 108.8° |
| C8 | C9 | H9 | 109.4° | 109.5° |
| O7 | C7 | C8 | 108.7° | 110.1° |
| O7 | C7 | C6 | 106.7° | 109.8° |
| O7 | C7 | H7 | 110.5° | 109.1° |
| C7 | O7 | H71 | 109.5° | 114.0° |
| C8 | C7 | C6 | 112.0° | 108.7° |
| C8 | C7 | H7 | 109.3° | 109.7° |
| C7 | C8 | H81 | 108.5° | 109.3° |
| C7 | C8 | H82 | 108.5° | 109.4° |
| C7 | C6 | C5 | 115.7° | 109.8° |
| C7 | C6 | C61 | 115.4° | 109.3° |
| C7 | C6 | H6 | 106.3° | 109.1° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C28 | C14 | C15 | 113.1° | 110.8° |
| C28 | C14 | H14 | 106.9° | 109.0° |
| C14 | C28 | H35 | 109.5° | 109.5° |
| C14 | C28 | H36 | 109.5° | 109.5° |
| C14 | C28 | H37 | 109.5° | 109.5° |
| C14 | C15 | C16 | 117.7° | 111.7° |
| C15 | C14 | H14 | 107.0° | 109.2° |
| C14 | C15 | H56 | 107.4° | 110.0° |
| C14 | C15 | H54 | 107.3° | 109.4° |
| C26 | C25 | C24 | 116.6° | 120.0° |
| C26 | C25 | H25 | 121.7° | 120.0° |
| C25 | C26 | H27 | 120.0° | 120.0° |
| C25 | C26 | H28 | 120.0° | 120.0° |
| C15 | C16 | C17 | 113.8° | 108.7° |
| C15 | C16 | C29 | 113.4° | 107.8° |
| C16 | C15 | H56 | 107.4° | 108.8° |
| C16 | C15 | H54 | 107.4° | 108.6° |
| C15 | C16 | H16 | 106.7° | 110.3° |
| C25 | C24 | C23 | 117.0° | 120.0° |
| C25 | C24 | H24 | 121.5° | 120.0° |
| C24 | C25 | H25 | 121.7° | 120.0° |
| C24 | C23 | C22 | 130.7° | 120.0° |
| C24 | C23 | H23 | 114.6° | 120.0° |
| C23 | C24 | H24 | 121.5° | 120.0° |
| C5 | C6 | C61 | 106.9° | 109.5° |
| C6 | C5 | C4 | 123.1° | 120.0° |
| C6 | C5 | H5 | 118.4° | 120.6° |
| C5 | C6 | H6 | 105.8° | 109.6° |
| C61 | C6 | H6 | 105.9° | 109.5° |
| C6 | C61 | H29 | 109.5° | 109.4° |
| C6 | C61 | H30 | 109.5° | 109.5° |
| C6 | C61 | H31 | 109.5° | 109.4° |
| C5 | C4 | C3 | 121.4° | 118.9° |
| C5 | C4 | H4 | 119.3° | 119.3° |
| C4 | C5 | H5 | 118.4° | 119.4° |
| C23 | C22 | C31 | 107.7° | 109.5° |
| C23 | C22 | C21 | 113.7° | 109.5° |
| C23 | C22 | H22 | 107.5° | 109.5° |
| C22 | C23 | H23 | 114.6° | 120.0° |
| C17 | C16 | C29 | 109.3° | 111.1° |
| C16 | C17 | C18 | 118.7° | 112.9° |
| C17 | C16 | H16 | 106.6° | 108.9° |
| C16 | C17 | H53 | 107.1° | 109.0° |
| C16 | C17 | H52 | 107.1° | 108.4° |
| C29 | C16 | H16 | 106.5° | 110.1° |
| C16 | C29 | H38 | 109.5° | 109.5° |
| C16 | C29 | H39 | 109.5° | 109.4° |
| C16 | C29 | H40 | 109.5° | 109.4° |
| C4 | C3 | C2 | 131.6° | 123.2° |
| C4 | C3 | H3 | 114.2° | 118.4° |
| C3 | C4 | H4 | 119.3° | 121.8° |
| C17 | C18 | C19 | 111.5° | 110.6° |
| C18 | C17 | H53 | 107.1° | 110.0° |
| C18 | C17 | H52 | 107.1° | 108.9° |
| C17 | C18 | H49 | 108.9° | 108.1° |
| C17 | C18 | H48 | 109.0° | 112.6° |
| C3 | C2 | C1 | 125.9° | 123.6° |
| C3 | C2 | H2 | 117.0° | 118.2° |
| C2 | C3 | H3 | 114.2° | 118.4° |
| C31 | C22 | C21 | 115.0° | 109.5° |
| C31 | C22 | H22 | 106.1° | 109.5° |
| C22 | C31 | H44 | 109.5° | 109.4° |
| C22 | C31 | H45 | 109.5° | 109.5° |
| C22 | C31 | H46 | 109.4° | 109.5° |
| C22 | C21 | O21 | 115.3° | 109.2° |
| C22 | C21 | C20 | 111.8° | 109.3° |
| C22 | C21 | H21 | 108.5° | 109.4° |
| C21 | C22 | H22 | 106.3° | 109.5° |
| C2 | C1 | O21 | 118.5° | 119.5° |
| C2 | C1 | O1 | 118.0° | 121.4° |
| C1 | C2 | H2 | 117.0° | 118.1° |
| C18 | C19 | C20 | 112.8° | 109.4° |
| C18 | C19 | O19 | 112.9° | 108.9° |
| C19 | C18 | H49 | 109.0° | 107.7° |
| C19 | C18 | H48 | 108.9° | 110.5° |
| C18 | C19 | H19 | 106.9° | 110.7° |
| C21 | O21 | C1 | 122.6° | 116.2° |
| O21 | C21 | C20 | 102.8° | 110.2° |
| O21 | C21 | H21 | 109.8° | 109.2° |
| O21 | C1 | O1 | 123.5° | 119.1° |
| C21 | C20 | C19 | 113.1° | 109.9° |
| C21 | C20 | C30 | 119.5° | 109.7° |
| C21 | C20 | H20 | 103.4° | 109.3° |
| C20 | C21 | H21 | 108.4° | 109.6° |
| C19 | C20 | C30 | 111.6° | 109.6° |
| C20 | C19 | O19 | 108.7° | 108.8° |
| C20 | C19 | H19 | 107.0° | 110.1° |
| C19 | C20 | H20 | 103.3° | 108.8° |
| C30 | C20 | H20 | 103.7° | 109.5° |
| C20 | C30 | H41 | 109.5° | 109.5° |
| C20 | C30 | H42 | 109.5° | 109.5° |
| C20 | C30 | H43 | 109.4° | 109.5° |
| O19 | C19 | H19 | 108.2° | 109.0° |
| C19 | O19 | H47 | 109.5° | 114.0° |
| H81 | C8 | H82 | 109.4° | 109.2° |
| H56 | C15 | H54 | 109.5° | 108.2° |
| H53 | C17 | H52 | 109.5° | 107.5° |
| H49 | C18 | H48 | 109.5° | 107.1° |
| H27 | C26 | H28 | 120.0° | 120.0° |
| H29 | C61 | H30 | 109.5° | 109.5° |
| H29 | C61 | H31 | 109.5° | 109.5° |
| H30 | C61 | H31 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.4° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H35 | C28 | H37 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.4° |
| H38 | C29 | H39 | 109.4° | 109.5° |
| H38 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H41 | C30 | H43 | 109.5° | 109.4° |
| H42 | C30 | H43 | 109.5° | 109.4° |
| H44 | C31 | H45 | 109.5° | 109.5° |
| H44 | C31 | H46 | 109.5° | 109.5° |
| H45 | C31 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C12 | C13 | O13 | 57.6° | 131.0° |
| C27 | C12 | C13 | C11 | 123.5° | 118.9° |
| C27 | C12 | C13 | H12 | 116.7° | 120.3° |
| C27 | C12 | C11 | H12 | 114.4° | 119.4° |
| C27 | C12 | C13 | C14 | 178.7° | 108.1° |
| C27 | C12 | C11 | C10 | 86.9° | 91.8° |
| C27 | C12 | C11 | H11 | 93.1° | 87.7° |
| C27 | C12 | C13 | H13 | 62.5° | 12.0° |
| C12 | C27 | H32 | H33 | 120.0° | 120.0° |
| C12 | C27 | H32 | H34 | 120.0° | 119.9° |
| C12 | C27 | H33 | H34 | 120.0° | 120.0° |
| O9 | C9 | C10 | C11 | 107.5° | 75.0° |
| O9 | C9 | C10 | C8 | 119.9° | 120.0° |
| O9 | C9 | C10 | H9 | 120.5° | 120.5° |
| O9 | C9 | C8 | H9 | 124.0° | 120.5° |
| O9 | C9 | C8 | C7 | 64.9° | 56.1° |
| O9 | C9 | C8 | H81 | 55.7° | 176.6° |
| O9 | C9 | C8 | H82 | 174.5° | 64.2° |
| O9 | C9 | C10 | H10 | 72.5° | 105.3° |
| O13 | C13 | C12 | C14 | 121.1° | 120.9° |
| O13 | C13 | C12 | H13 | 120.1° | 118.9° |
| O13 | C13 | C12 | C11 | 65.9° | 12.1° |
| O13 | C13 | C14 | H13 | 120.3° | 119.1° |
| O13 | C13 | C14 | C28 | 52.7° | 179.3° |
| O13 | C13 | C14 | C15 | 179.1° | 58.6° |
| O13 | C13 | C12 | H12 | 174.4° | 108.8° |
| O13 | C13 | C14 | H14 | 62.2° | 60.6° |
| C13 | C12 | C11 | H12 | 119.1° | 121.3° |
| C12 | C13 | C14 | H13 | 118.4° | 119.9° |
| C13 | C12 | C11 | C10 | 146.7° | 148.9° |
| C12 | C13 | C14 | C28 | 173.9° | 59.7° |
| C12 | C13 | C14 | C15 | 59.6° | 62.3° |
| C13 | C12 | C11 | H11 | 33.3° | 31.6° |
| C12 | C13 | O13 | H57 | 180.0° | 174.4° |
| C12 | C13 | C14 | H14 | 59.1° | 178.5° |
| C13 | C12 | C27 | H32 | 180.0° | 64.2° |
| C13 | C12 | C27 | H33 | 60.0° | 175.8° |
| C13 | C12 | C27 | H34 | 60.0° | 55.8° |
| C11 | C12 | C13 | C14 | 55.2° | 132.9° |
| C12 | C11 | C10 | H11 | 180.0° | 179.4° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H10 | 179.5° | 179.7° |
| C11 | C12 | C13 | H13 | 174.0° | 106.9° |
| C11 | C12 | C27 | H32 | 51.1° | 55.3° |
| C11 | C12 | C27 | H33 | 171.1° | 64.7° |
| C11 | C12 | C27 | H34 | 68.9° | 175.3° |
| C13 | C14 | C28 | C15 | 127.2° | 121.5° |
| C13 | C14 | C28 | H14 | 115.3° | 118.3° |
| C13 | C14 | C15 | H14 | 119.0° | 118.6° |
| C13 | C14 | C15 | C16 | 170.9° | 177.2° |
| C14 | C13 | C12 | H12 | 64.5° | 12.1° |
| C14 | C13 | O13 | H57 | 58.9° | 63.6° |
| C13 | C14 | C15 | H56 | 67.9° | 56.2° |
| C13 | C14 | C15 | H54 | 49.7° | 62.6° |
| C13 | C14 | C28 | H35 | 180.0° | 59.9° |
| C13 | C14 | C28 | H36 | 60.0° | 180.0° |
| C13 | C14 | C28 | H37 | 60.0° | 60.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 132.7° | 165.0° |
| C11 | C10 | C9 | H9 | 13.1° | 45.5° |
| C10 | C11 | C12 | H12 | 27.6° | 27.7° |
| C10 | C9 | C8 | H9 | 120.2° | 119.5° |
| C10 | C9 | C8 | C7 | 179.4° | 176.2° |
| C10 | C9 | C8 | H81 | 60.0° | 63.3° |
| C10 | C9 | C8 | H82 | 58.8° | 55.8° |
| C10 | C9 | O9 | H91 | 180.0° | 57.1° |
| C9 | C10 | C11 | H11 | 179.5° | 179.4° |
| C9 | C8 | C7 | O7 | 53.7° | 41.4° |
| C9 | C8 | C7 | H81 | 120.6° | 120.4° |
| C9 | C8 | C7 | H82 | 120.6° | 120.0° |
| C9 | C8 | C7 | C6 | 171.5° | 161.8° |
| C9 | C8 | C7 | H7 | 67.0° | 78.6° |
| C9 | C8 | H81 | H82 | 118.2° | 118.9° |
| C8 | C9 | O9 | H91 | 62.7° | 62.2° |
| C8 | C9 | C10 | H10 | 47.3° | 14.7° |
| O7 | C7 | C8 | C6 | 117.7° | 120.4° |
| O7 | C7 | C8 | H7 | 120.7° | 120.1° |
| O7 | C7 | C6 | H7 | 119.7° | 119.8° |
| O7 | C7 | C6 | C5 | 178.9° | 14.5° |
| O7 | C7 | C6 | C61 | 55.2° | 134.6° |
| O7 | C7 | C6 | H6 | 61.8° | 105.7° |
| O7 | C7 | C8 | H81 | 174.4° | 79.0° |
| O7 | C7 | C8 | H82 | 66.9° | 161.5° |
| C8 | C7 | C6 | H7 | 121.4° | 119.7° |
| C8 | C7 | C6 | C5 | 62.2° | 135.0° |
| C8 | C7 | C6 | C61 | 63.7° | 104.9° |
| C8 | C7 | C6 | H6 | 179.3° | 14.8° |
| C8 | C7 | O7 | H71 | 180.0° | 59.9° |
| C7 | C8 | H81 | H82 | 118.2° | 119.6° |
| C7 | C8 | C9 | H9 | 59.1° | 64.4° |
| C7 | C6 | C5 | C61 | 130.0° | 120.0° |
| C7 | C6 | C5 | H6 | 117.4° | 119.9° |
| C7 | C6 | C61 | H6 | 117.3° | 119.4° |
| C7 | C6 | C5 | C4 | 92.2° | 85.5° |
| C7 | C6 | C5 | H5 | 87.8° | 94.4° |
| C6 | C7 | O7 | H71 | 59.0° | 179.6° |
| C6 | C7 | C8 | H81 | 67.9° | 41.4° |
| C6 | C7 | C8 | H82 | 50.9° | 78.2° |
| C7 | C6 | C61 | H29 | 180.0° | 60.4° |
| C7 | C6 | C61 | H30 | 60.0° | 59.7° |
| C7 | C6 | C61 | H31 | 60.0° | 179.7° |
| C28 | C14 | C15 | H14 | 117.5° | 120.1° |
| C28 | C14 | C15 | C16 | 65.6° | 55.9° |
| C28 | C14 | C13 | H13 | 67.6° | 60.2° |
| C28 | C14 | C15 | H56 | 55.6° | 65.1° |
| C28 | C14 | C15 | H54 | 173.2° | 176.2° |
| C14 | C28 | H35 | H36 | 120.0° | 120.0° |
| C14 | C28 | H35 | H37 | 120.0° | 120.0° |
| C14 | C28 | H36 | H37 | 120.0° | 120.0° |
| C14 | C15 | C16 | H56 | 121.2° | 121.7° |
| C14 | C15 | C16 | H54 | 121.2° | 120.7° |
| C14 | C15 | C16 | C17 | 48.7° | 125.3° |
| C14 | C15 | C16 | C29 | 174.5° | 114.3° |
| C15 | C14 | C13 | H13 | 58.8° | 177.7° |
| C14 | C15 | H56 | H54 | 116.2° | 119.4° |
| C14 | C15 | C16 | H16 | 68.6° | 6.0° |
| C15 | C14 | C28 | H35 | 52.8° | 61.6° |
| C15 | C14 | C28 | H36 | 172.8° | 58.5° |
| C15 | C14 | C28 | H37 | 67.2° | 178.4° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.9° | 174.9° |
| C26 | C25 | C24 | H24 | 0.0° | 5.1° |
| C25 | C26 | H27 | H28 | 180.0° | 180.0° |
| C15 | C16 | C17 | C29 | 127.9° | 118.4° |
| C15 | C16 | C17 | H16 | 117.3° | 120.2° |
| C15 | C16 | C29 | H16 | 117.1° | 120.4° |
| C15 | C16 | C17 | C18 | 161.6° | 154.0° |
| C16 | C15 | C14 | H14 | 51.9° | 64.2° |
| C16 | C15 | H56 | H54 | 116.3° | 117.8° |
| C15 | C16 | C17 | H53 | 77.1° | 31.4° |
| C15 | C16 | C17 | H52 | 40.3° | 85.3° |
| C15 | C16 | C29 | H38 | 180.0° | 60.0° |
| C15 | C16 | C29 | H39 | 60.0° | 180.0° |
| C15 | C16 | C29 | H40 | 60.0° | 60.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 6.3° |
| C25 | C24 | C23 | H23 | 179.8° | 173.7° |
| C24 | C25 | C26 | H27 | 180.0° | 0.0° |
| C24 | C25 | C26 | H28 | 0.0° | 180.0° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C31 | 103.6° | 113.7° |
| C24 | C23 | C22 | C21 | 127.8° | 126.3° |
| C24 | C23 | C22 | H22 | 10.4° | 6.3° |
| C23 | C24 | C25 | H25 | 0.1° | 5.1° |
| C5 | C6 | C61 | H6 | 112.5° | 120.2° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.6° | 179.6° |
| C6 | C5 | C4 | H4 | 0.5° | 0.5° |
| C5 | C6 | C7 | H7 | 59.3° | 105.3° |
| C5 | C6 | C61 | H29 | 49.8° | 60.0° |
| C5 | C6 | C61 | H30 | 70.2° | 180.0° |
| C5 | C6 | C61 | H31 | 169.8° | 60.0° |
| C61 | C6 | C5 | C4 | 37.8° | 154.5° |
| C61 | C6 | C5 | H5 | 142.2° | 25.5° |
| C61 | C6 | C7 | H7 | 174.9° | 14.8° |
| C6 | C61 | H29 | H30 | 120.0° | 120.0° |
| C6 | C61 | H29 | H31 | 120.0° | 119.9° |
| C6 | C61 | H30 | H31 | 120.0° | 120.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.6° | 168.3° |
| C5 | C4 | C3 | H3 | 0.4° | 12.8° |
| C4 | C5 | C6 | H6 | 150.4° | 34.4° |
| C23 | C22 | C31 | C21 | 127.9° | 120.0° |
| C23 | C22 | C31 | H22 | 114.9° | 120.0° |
| C23 | C22 | C21 | H22 | 118.1° | 120.0° |
| C23 | C22 | C21 | O21 | 61.4° | 59.4° |
| C23 | C22 | C21 | C20 | 55.5° | 180.0° |
| C23 | C22 | C21 | H21 | 175.0° | 60.0° |
| C22 | C23 | C24 | H24 | 179.8° | 173.8° |
| C23 | C22 | C31 | H44 | 180.0° | 60.0° |
| C23 | C22 | C31 | H45 | 60.0° | 180.0° |
| C23 | C22 | C31 | H46 | 60.0° | 60.0° |
| C17 | C16 | C29 | H16 | 114.8° | 120.7° |
| C16 | C17 | C18 | H53 | 121.3° | 122.0° |
| C16 | C17 | C18 | H52 | 121.3° | 120.4° |
| C16 | C17 | C18 | C19 | 167.7° | 104.9° |
| C17 | C16 | C15 | H56 | 169.9° | 113.0° |
| C17 | C16 | C15 | H54 | 72.4° | 4.6° |
| C16 | C17 | H53 | H52 | 115.9° | 117.3° |
| C16 | C17 | C18 | H49 | 72.0° | 137.5° |
| C16 | C17 | C18 | H48 | 47.5° | 19.3° |
| C17 | C16 | C29 | H38 | 51.9° | 58.9° |
| C17 | C16 | C29 | H39 | 171.9° | 61.1° |
| C17 | C16 | C29 | H40 | 68.1° | 179.0° |
| C29 | C16 | C17 | C18 | 70.5° | 35.6° |
| C29 | C16 | C15 | H56 | 64.4° | 7.4° |
| C29 | C16 | C15 | H54 | 53.3° | 125.0° |
| C29 | C16 | C17 | H53 | 50.8° | 87.0° |
| C29 | C16 | C17 | H52 | 168.2° | 156.3° |
| C16 | C29 | H38 | H39 | 120.0° | 120.0° |
| C16 | C29 | H38 | H40 | 120.0° | 120.0° |
| C16 | C29 | H39 | H40 | 120.0° | 119.9° |
| C4 | C3 | C2 | H3 | 180.0° | 178.9° |
| C4 | C3 | C2 | C1 | 0.2° | 3.8° |
| C4 | C3 | C2 | H2 | 179.9° | 176.5° |
| C3 | C4 | C5 | H5 | 0.4° | 0.4° |
| C17 | C18 | C19 | H49 | 120.3° | 117.9° |
| C17 | C18 | C19 | H48 | 120.3° | 125.4° |
| C17 | C18 | C19 | C20 | 58.2° | 158.1° |
| C17 | C18 | C19 | O19 | 178.1° | 83.2° |
| C18 | C17 | C16 | H16 | 44.3° | 85.8° |
| C18 | C17 | H53 | H52 | 115.8° | 118.4° |
| C17 | C18 | H49 | H48 | 119.1° | 121.6° |
| C17 | C18 | C19 | H19 | 59.3° | 36.6° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C3 | C2 | C1 | O21 | 0.6° | 176.9° |
| C3 | C2 | C1 | O1 | 179.7° | 2.4° |
| C2 | C3 | C4 | H4 | 0.4° | 11.8° |
| C31 | C22 | C21 | H22 | 117.0° | 120.0° |
| C31 | C22 | C21 | O21 | 63.4° | 179.4° |
| C31 | C22 | C21 | C20 | 179.6° | 60.0° |
| C31 | C22 | C21 | H21 | 60.1° | 60.0° |
| C31 | C22 | C23 | H23 | 76.4° | 66.2° |
| C22 | C31 | H44 | H45 | 120.0° | 120.0° |
| C22 | C31 | H44 | H46 | 120.0° | 120.0° |
| C22 | C31 | H45 | H46 | 120.0° | 120.0° |
| C22 | C21 | O21 | C20 | 121.9° | 120.1° |
| C22 | C21 | O21 | H21 | 122.9° | 119.5° |
| C22 | C21 | O21 | C1 | 68.7° | 106.1° |
| C22 | C21 | C20 | H21 | 119.5° | 119.9° |
| C22 | C21 | C20 | C19 | 60.4° | 160.6° |
| C22 | C21 | C20 | C30 | 165.1° | 78.8° |
| C22 | C21 | C20 | H20 | 50.6° | 41.3° |
| C21 | C22 | C23 | H23 | 52.2° | 53.8° |
| C21 | C22 | C31 | H44 | 52.1° | 180.0° |
| C21 | C22 | C31 | H45 | 67.9° | 60.0° |
| C21 | C22 | C31 | H46 | 172.1° | 60.0° |
| C2 | C1 | O21 | C21 | 160.1° | 98.4° |
| C2 | C1 | O21 | O1 | 179.6° | 179.3° |
| C1 | C2 | C3 | H3 | 179.9° | 177.3° |
| C18 | C19 | C20 | C21 | 169.1° | 111.0° |
| C18 | C19 | C20 | O19 | 126.1° | 118.9° |
| C18 | C19 | C20 | H19 | 117.3° | 121.8° |
| C18 | C19 | C20 | C30 | 52.9° | 128.4° |
| C18 | C19 | O19 | H19 | 118.1° | 120.8° |
| C19 | C18 | C17 | H53 | 46.4° | 17.2° |
| C19 | C18 | C17 | H52 | 71.0° | 134.7° |
| C19 | C18 | H49 | H48 | 119.1° | 118.9° |
| C18 | C19 | O19 | H47 | 180.0° | 60.1° |
| C18 | C19 | C20 | H20 | 58.0° | 8.6° |
| O21 | C21 | C20 | H21 | 116.2° | 120.2° |
| O21 | C21 | C20 | C19 | 175.3° | 79.4° |
| O21 | C21 | C20 | C30 | 40.9° | 41.1° |
| C21 | O21 | C1 | O1 | 19.5° | 81.0° |
| O21 | C21 | C20 | H20 | 73.6° | 161.2° |
| O21 | C21 | C22 | H22 | 179.5° | 60.6° |
| C1 | O21 | C21 | C20 | 169.4° | 133.8° |
| O21 | C1 | C2 | H2 | 179.4° | 2.8° |
| C1 | O21 | C21 | H21 | 54.2° | 13.4° |
| C21 | C20 | C19 | C30 | 138.1° | 120.6° |
| C21 | C20 | C19 | H20 | 111.1° | 119.7° |
| C21 | C20 | C30 | H20 | 114.3° | 120.0° |
| C21 | C20 | C19 | O19 | 64.9° | 130.1° |
| C21 | C20 | C19 | H19 | 51.7° | 10.8° |
| C20 | C21 | C22 | H22 | 62.6° | 60.0° |
| C21 | C20 | C30 | H41 | 180.0° | 60.0° |
| C21 | C20 | C30 | H42 | 60.0° | 180.0° |
| C21 | C20 | C30 | H43 | 60.0° | 60.0° |
| C19 | C20 | C30 | H20 | 110.6° | 119.3° |
| C20 | C19 | O19 | H19 | 115.9° | 120.0° |
| C20 | C19 | C18 | H49 | 178.4° | 84.0° |
| C20 | C19 | C18 | H48 | 62.1° | 32.7° |
| C20 | C19 | O19 | H47 | 54.0° | 179.2° |
| C19 | C20 | C21 | H21 | 59.1° | 40.7° |
| C19 | C20 | C30 | H41 | 44.9° | 60.8° |
| C19 | C20 | C30 | H42 | 164.9° | 59.3° |
| C19 | C20 | C30 | H43 | 75.1° | 179.2° |
| C30 | C20 | C19 | O19 | 73.2° | 9.5° |
| C30 | C20 | C19 | H19 | 170.2° | 109.8° |
| C30 | C20 | C21 | H21 | 75.3° | 161.3° |
| C20 | C30 | H41 | H42 | 120.0° | 120.1° |
| C20 | C30 | H41 | H43 | 120.0° | 120.0° |
| C20 | C30 | H42 | H43 | 120.0° | 120.0° |
| O1 | C1 | C2 | H2 | 0.3° | 177.9° |
| O19 | C19 | C18 | H49 | 57.8° | 34.7° |
| O19 | C19 | C18 | H48 | 61.6° | 151.4° |
| O19 | C19 | C20 | H20 | 176.0° | 110.2° |
| H2 | C2 | C3 | H3 | 0.1° | 2.4° |
| H3 | C3 | C4 | H4 | 179.6° | 167.2° |
| H4 | C4 | C5 | H5 | 179.5° | 179.6° |
| H5 | C5 | C6 | H6 | 29.6° | 145.7° |
| H6 | C6 | C7 | H7 | 57.8° | 134.5° |
| H6 | C6 | C61 | H29 | 62.7° | 179.8° |
| H6 | C6 | C61 | H30 | 177.3° | 59.8° |
| H6 | C6 | C61 | H31 | 57.3° | 60.2° |
| H7 | C7 | O7 | H71 | 60.0° | 60.5° |
| H7 | C7 | C8 | H81 | 53.6° | 160.9° |
| H7 | C7 | C8 | H82 | 172.4° | 41.4° |
| H81 | C8 | C9 | H9 | 179.7° | 56.2° |
| H82 | C8 | C9 | H9 | 61.5° | 175.3° |
| H9 | C9 | O9 | H91 | 60.1° | 177.4° |
| H9 | C9 | C10 | H10 | 166.9° | 134.2° |
| H10 | C10 | C11 | H11 | 0.5° | 0.9° |
| H11 | C11 | C12 | H12 | 152.5° | 152.9° |
| H12 | C12 | C13 | H13 | 54.3° | 132.3° |
| H12 | C12 | C27 | H32 | 63.7° | 174.9° |
| H12 | C12 | C27 | H33 | 56.4° | 54.9° |
| H12 | C12 | C27 | H34 | 176.3° | 65.1° |
| H13 | C13 | O13 | H57 | 60.8° | 55.6° |
| H13 | C13 | C14 | H14 | 177.5° | 58.5° |
| H14 | C14 | C15 | H56 | 173.1° | 174.8° |
| H14 | C14 | C15 | H54 | 69.3° | 56.1° |
| H14 | C14 | C28 | H35 | 64.7° | 178.2° |
| H14 | C14 | C28 | H36 | 55.3° | 61.7° |
| H14 | C14 | C28 | H37 | 175.3° | 58.3° |
| H56 | C15 | C16 | H16 | 52.6° | 127.7° |
| H54 | C15 | C16 | H16 | 170.2° | 114.7° |
| H16 | C16 | C17 | H53 | 165.5° | 151.6° |
| H16 | C16 | C17 | H52 | 77.0° | 34.9° |
| H16 | C16 | C29 | H38 | 62.9° | 179.6° |
| H16 | C16 | C29 | H39 | 57.1° | 59.5° |
| H16 | C16 | C29 | H40 | 177.1° | 60.4° |
| H53 | C17 | C18 | H49 | 166.7° | 100.5° |
| H53 | C17 | C18 | H48 | 73.9° | 141.4° |
| H52 | C17 | C18 | H49 | 49.3° | 17.1° |
| H52 | C17 | C18 | H48 | 168.8° | 101.1° |
| H49 | C18 | C19 | H19 | 61.0° | 154.5° |
| H48 | C18 | C19 | H19 | 179.6° | 88.8° |
| H19 | C19 | O19 | H47 | 61.9° | 60.7° |
| H19 | C19 | C20 | H20 | 59.4° | 130.4° |
| H20 | C20 | C21 | H21 | 170.2° | 78.6° |
| H20 | C20 | C30 | H41 | 65.7° | 180.0° |
| H20 | C20 | C30 | H42 | 54.3° | 60.0° |
| H20 | C20 | C30 | H43 | 174.3° | 60.0° |
| H21 | C21 | C22 | H22 | 56.9° | 180.0° |
| H22 | C22 | C23 | H23 | 169.6° | 173.7° |
| H22 | C22 | C31 | H44 | 65.1° | 60.0° |
| H22 | C22 | C31 | H45 | 174.9° | 60.0° |
| H22 | C22 | C31 | H46 | 54.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.2° | 6.3° |
| H24 | C24 | C25 | H25 | 179.9° | 174.9° |
| H25 | C25 | C26 | H27 | 0.0° | 180.0° |
| H25 | C25 | C26 | H28 | 180.0° | 0.0° |
| H29 | C61 | H30 | H31 | 120.0° | 120.1° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
| H35 | C28 | H36 | H37 | 120.0° | 120.0° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
| H41 | C30 | H42 | H43 | 120.0° | 119.9° |
| H44 | C31 | H45 | H46 | 120.0° | 120.0° |
