1KG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| O4 | C28 | doub | 1.21Å | 1.20Å | |
| C7 | C6 | sing | 1.54Å | 1.57Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C11 | C9 | sing | 1.53Å | 1.58Å | |
| C6 | C4 | sing | 1.52Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C9 | C8 | sing | 1.52Å | 1.64Å | |
| C9 | C15 | sing | 1.50Å | 1.49Å | |
| C28 | O3 | sing | 1.34Å | 1.35Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.60Å | |
| C4 | C19 | sing | 1.55Å | 1.50Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C2 | C22 | sing | 1.55Å | 1.52Å | |
| C8 | C18 | sing | 1.53Å | 1.50Å | |
| O3 | C27 | sing | 1.45Å | 1.28Å | |
| O1 | C13 | sing | 1.43Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C3 | C21 | sing | 1.56Å | 1.49Å | |
| C18 | C19 | sing | 1.52Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.52Å | 1.49Å | |
| C15 | C16 | doub | 1.30Å | 1.35Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C22 | O2 | sing | 1.44Å | 1.42Å | |
| C27 | C25 | sing | 1.53Å | 1.49Å | |
| O2 | C21 | sing | 1.44Å | 1.48Å | |
| C16 | C17 | sing | 1.50Å | 1.45Å | |
| C21 | C20 | sing | 1.55Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C11 | 109.0° | 107.5° |
| C10 | C9 | C8 | 113.2° | 108.1° |
| C10 | C9 | C15 | 112.1° | 108.2° |
| C9 | C10 | H14 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.4° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| O4 | C28 | O3 | 119.9° | 119.9° |
| O4 | C28 | C29 | 119.4° | 120.1° |
| C6 | C7 | C8 | 112.2° | 111.7° |
| C7 | C6 | C4 | 106.7° | 107.1° |
| C7 | C6 | H9 | 110.1° | 109.9° |
| C7 | C6 | H10 | 110.2° | 110.0° |
| C6 | C7 | H11 | 108.8° | 109.0° |
| C6 | C7 | H12 | 108.8° | 109.0° |
| C7 | C8 | C9 | 111.9° | 109.7° |
| C7 | C8 | C18 | 111.7° | 111.8° |
| C8 | C7 | H11 | 108.8° | 109.1° |
| C8 | C7 | H12 | 108.8° | 109.0° |
| C7 | C8 | H13 | 107.1° | 108.4° |
| C5 | C4 | C6 | 116.0° | 110.1° |
| C5 | C4 | C3 | 109.8° | 109.9° |
| C5 | C4 | C19 | 111.2° | 109.9° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.4° |
| C11 | C12 | C13 | 109.0° | 109.7° |
| C12 | C11 | C9 | 112.4° | 109.3° |
| C12 | C11 | H17 | 108.7° | 109.4° |
| C12 | C11 | H18 | 108.7° | 109.5° |
| C11 | C12 | H19 | 109.6° | 109.4° |
| C11 | C12 | H20 | 109.6° | 109.5° |
| C12 | C13 | O1 | 111.9° | 109.5° |
| C12 | C13 | C14 | 113.2° | 109.5° |
| C13 | C12 | H19 | 109.6° | 109.4° |
| C13 | C12 | H20 | 109.6° | 109.4° |
| C12 | C13 | H21 | 107.2° | 109.5° |
| C11 | C9 | C8 | 104.7° | 110.1° |
| C11 | C9 | C15 | 109.4° | 109.4° |
| C9 | C11 | H17 | 108.7° | 109.5° |
| C9 | C11 | H18 | 108.7° | 109.5° |
| C6 | C4 | C3 | 112.4° | 116.3° |
| C6 | C4 | C19 | 106.7° | 107.1° |
| C4 | C6 | H9 | 110.2° | 109.9° |
| C4 | C6 | H10 | 110.2° | 109.9° |
| C30 | C29 | C28 | 102.3° | 109.5° |
| C30 | C29 | H44 | 111.2° | 109.5° |
| C30 | C29 | H45 | 111.2° | 109.5° |
| C29 | C30 | H46 | 109.5° | 109.5° |
| C29 | C30 | H47 | 109.4° | 109.5° |
| C29 | C30 | H48 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.0° | 110.8° |
| C1 | C2 | C22 | 107.7° | 110.8° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 112.5° | 110.7° |
| C8 | C9 | C15 | 108.2° | 113.4° |
| C9 | C8 | C18 | 111.9° | 110.4° |
| C9 | C8 | H13 | 106.2° | 108.0° |
| C9 | C15 | C14 | 122.1° | 117.8° |
| C9 | C15 | C16 | 123.1° | 123.9° |
| O3 | C28 | C29 | 120.7° | 120.0° |
| C28 | O3 | C27 | 106.1° | 117.0° |
| C28 | C29 | H44 | 111.2° | 109.5° |
| C28 | C29 | H45 | 111.2° | 109.5° |
| C3 | C4 | C19 | 99.4° | 103.2° |
| C4 | C3 | C2 | 119.9° | 109.5° |
| C4 | C3 | C21 | 105.8° | 105.0° |
| C4 | C3 | H5 | 108.7° | 112.9° |
| C4 | C19 | C18 | 114.7° | 107.3° |
| C4 | C19 | C20 | 102.2° | 101.6° |
| C4 | C19 | H29 | 107.9° | 110.4° |
| C3 | C2 | C22 | 103.2° | 102.4° |
| C2 | C3 | C21 | 102.1° | 103.9° |
| C3 | C2 | H4 | 111.9° | 110.8° |
| C2 | C3 | H5 | 109.7° | 112.4° |
| C2 | C22 | C23 | 113.0° | 110.6° |
| C2 | C22 | O2 | 98.9° | 103.5° |
| C22 | C2 | H4 | 112.0° | 111.0° |
| C2 | C22 | H33 | 109.1° | 110.6° |
| C8 | C18 | C19 | 105.0° | 107.7° |
| C8 | C18 | C17 | 110.1° | 108.2° |
| C18 | C8 | H13 | 107.7° | 108.4° |
| C8 | C18 | H28 | 110.1° | 110.2° |
| O3 | C27 | C25 | 98.2° | 109.5° |
| O3 | C27 | H42 | 112.2° | 109.5° |
| O3 | C27 | H43 | 112.2° | 109.4° |
| O1 | C13 | C14 | 109.0° | 109.5° |
| O1 | C13 | H21 | 108.1° | 109.5° |
| C13 | O1 | H22 | 109.5° | 114.0° |
| C13 | C14 | C15 | 109.9° | 108.4° |
| C14 | C13 | H21 | 107.0° | 109.4° |
| C13 | C14 | H23 | 109.4° | 109.6° |
| C13 | C14 | H24 | 109.4° | 109.7° |
| C3 | C21 | O2 | 106.9° | 106.8° |
| C3 | C21 | C20 | 107.2° | 106.3° |
| C21 | C3 | H5 | 110.2° | 112.6° |
| C3 | C21 | H32 | 110.7° | 111.4° |
| C19 | C18 | C17 | 112.3° | 109.5° |
| C18 | C19 | C20 | 116.9° | 115.6° |
| C19 | C18 | H28 | 109.6° | 110.2° |
| C18 | C19 | H29 | 107.5° | 110.4° |
| C18 | C17 | C16 | 115.8° | 109.1° |
| C18 | C17 | H26 | 107.8° | 109.5° |
| C18 | C17 | H27 | 107.9° | 109.6° |
| C17 | C18 | H28 | 109.7° | 110.9° |
| C14 | C15 | C16 | 114.8° | 118.3° |
| C15 | C14 | H23 | 109.3° | 109.7° |
| C15 | C14 | H24 | 109.3° | 109.8° |
| C15 | C16 | C17 | 124.9° | 122.9° |
| C15 | C16 | H25 | 117.5° | 118.5° |
| C22 | C23 | C24 | 107.2° | 109.5° |
| C23 | C22 | O2 | 115.4° | 110.6° |
| C23 | C22 | H33 | 109.4° | 110.7° |
| C22 | C23 | H34 | 110.0° | 109.4° |
| C22 | C23 | H35 | 110.0° | 109.4° |
| C23 | C24 | C25 | 113.8° | 109.5° |
| C24 | C23 | H34 | 110.0° | 109.5° |
| C24 | C23 | H35 | 110.0° | 109.5° |
| C23 | C24 | H36 | 108.4° | 109.5° |
| C23 | C24 | H37 | 108.4° | 109.5° |
| C19 | C20 | C21 | 99.2° | 103.2° |
| C20 | C19 | H29 | 107.1° | 111.0° |
| C19 | C20 | H30 | 112.0° | 110.7° |
| C19 | C20 | H31 | 112.0° | 110.7° |
| C22 | O2 | C21 | 103.1° | 106.9° |
| O2 | C22 | H33 | 110.5° | 110.6° |
| C27 | C25 | C24 | 103.1° | 109.5° |
| C27 | C25 | C26 | 99.5° | 109.5° |
| C27 | C25 | H38 | 113.3° | 109.4° |
| C25 | C27 | H42 | 112.2° | 109.5° |
| C25 | C27 | H43 | 112.2° | 109.5° |
| O2 | C21 | C20 | 111.4° | 108.6° |
| O2 | C21 | H32 | 110.8° | 112.0° |
| C17 | C16 | H25 | 117.6° | 118.5° |
| C16 | C17 | H26 | 107.9° | 109.5° |
| C16 | C17 | H27 | 107.8° | 109.5° |
| C21 | C20 | H30 | 112.0° | 110.7° |
| C21 | C20 | H31 | 112.0° | 110.8° |
| C20 | C21 | H32 | 109.8° | 111.4° |
| C24 | C25 | C26 | 113.9° | 109.5° |
| C25 | C24 | H36 | 108.4° | 109.5° |
| C25 | C24 | H37 | 108.4° | 109.5° |
| C24 | C25 | H38 | 112.7° | 109.5° |
| C26 | C25 | H38 | 113.1° | 109.5° |
| C25 | C26 | H39 | 109.5° | 109.5° |
| C25 | C26 | H40 | 109.5° | 109.4° |
| C25 | C26 | H41 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.9° |
| H11 | C7 | H12 | 109.5° | 109.0° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.7° |
| H26 | C17 | H27 | 109.5° | 109.6° |
| H30 | C20 | H31 | 109.5° | 110.7° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.4° |
| H39 | C26 | H40 | 109.5° | 109.4° |
| H39 | C26 | H41 | 109.4° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| H46 | C30 | H47 | 109.5° | 109.4° |
| H46 | C30 | H48 | 109.4° | 109.5° |
| H47 | C30 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | C7 | 50.5° | 40.2° |
| C10 | C9 | C11 | C12 | 71.9° | 62.8° |
| C10 | C9 | C11 | C8 | 121.4° | 117.5° |
| C10 | C9 | C11 | C15 | 122.8° | 117.3° |
| C10 | C9 | C8 | C15 | 124.8° | 119.9° |
| C10 | C9 | C8 | C18 | 75.7° | 83.4° |
| C10 | C9 | C15 | C14 | 75.2° | 65.5° |
| C10 | C9 | C15 | C16 | 106.4° | 114.7° |
| C10 | C9 | C8 | H13 | 167.0° | 158.2° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H16 | 120.0° | 120.1° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C9 | C11 | H17 | 167.6° | 57.1° |
| C10 | C9 | C11 | H18 | 48.5° | 177.2° |
| O4 | C28 | C29 | C30 | 4.4° | 0.0° |
| O4 | C28 | O3 | C29 | 177.6° | 180.0° |
| O4 | C28 | O3 | C27 | 177.7° | 0.0° |
| O4 | C28 | C29 | H44 | 114.5° | 120.0° |
| O4 | C28 | C29 | H45 | 123.2° | 120.0° |
| C6 | C7 | C8 | H11 | 120.4° | 120.5° |
| C6 | C7 | C8 | H12 | 120.4° | 120.6° |
| C7 | C6 | C4 | C5 | 64.4° | 54.6° |
| C7 | C6 | C4 | H9 | 119.5° | 119.4° |
| C7 | C6 | C4 | H10 | 119.6° | 119.5° |
| C6 | C7 | C8 | C9 | 177.4° | 176.8° |
| C7 | C6 | C4 | C3 | 168.1° | 179.7° |
| C7 | C6 | C4 | C19 | 60.1° | 64.9° |
| C6 | C7 | C8 | C18 | 56.3° | 53.9° |
| C7 | C6 | H9 | H10 | 121.3° | 121.3° |
| C6 | C7 | H11 | H12 | 118.7° | 118.9° |
| C6 | C7 | C8 | H13 | 61.4° | 65.6° |
| C7 | C8 | C9 | C11 | 68.1° | 76.9° |
| C8 | C7 | C6 | C4 | 57.5° | 57.6° |
| C7 | C8 | C9 | C18 | 126.2° | 123.7° |
| C7 | C8 | C9 | H13 | 116.5° | 118.0° |
| C7 | C8 | C9 | C15 | 175.3° | 160.2° |
| C7 | C8 | C18 | H13 | 117.4° | 119.5° |
| C7 | C8 | C18 | C19 | 54.4° | 56.3° |
| C7 | C8 | C18 | C17 | 175.5° | 174.7° |
| C8 | C7 | C6 | H9 | 62.1° | 177.0° |
| C8 | C7 | C6 | H10 | 177.1° | 61.8° |
| C8 | C7 | H11 | H12 | 118.8° | 118.9° |
| C7 | C8 | C18 | H28 | 63.5° | 63.9° |
| C5 | C4 | C6 | C3 | 127.5° | 125.7° |
| C5 | C4 | C6 | C19 | 124.5° | 119.5° |
| C5 | C4 | C3 | C19 | 116.7° | 117.2° |
| C5 | C4 | C3 | C2 | 26.3° | 24.3° |
| C5 | C4 | C3 | C21 | 88.2° | 86.7° |
| C5 | C4 | C19 | C18 | 59.6° | 49.6° |
| C5 | C4 | C19 | C20 | 67.9° | 72.1° |
| C5 | C4 | C3 | H5 | 153.4° | 150.3° |
| C4 | C5 | H6 | H7 | 120.0° | 120.1° |
| C4 | C5 | H6 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 119.9° |
| C5 | C4 | C6 | H9 | 176.1° | 64.9° |
| C5 | C4 | C6 | H10 | 55.2° | 174.0° |
| C5 | C4 | C19 | H29 | 179.4° | 170.0° |
| C11 | C12 | C13 | H19 | 119.9° | 120.1° |
| C11 | C12 | C13 | H20 | 119.9° | 120.1° |
| C12 | C11 | C9 | H17 | 120.5° | 119.9° |
| C12 | C11 | C9 | H18 | 120.4° | 120.0° |
| C12 | C11 | C9 | C8 | 166.7° | 179.7° |
| C12 | C11 | C9 | C15 | 50.9° | 54.5° |
| C11 | C12 | C13 | O1 | 179.4° | 176.3° |
| C11 | C12 | C13 | C14 | 56.8° | 63.6° |
| C12 | C11 | H17 | H18 | 118.6° | 120.1° |
| C11 | C12 | H19 | H20 | 120.3° | 119.9° |
| C11 | C12 | C13 | H21 | 61.0° | 56.4° |
| C13 | C12 | C11 | C9 | 58.2° | 62.8° |
| C12 | C13 | O1 | C14 | 126.1° | 120.1° |
| C12 | C13 | O1 | H21 | 117.9° | 120.0° |
| C12 | C13 | C14 | H21 | 117.9° | 120.0° |
| C12 | C13 | C14 | C15 | 47.9° | 55.1° |
| C13 | C12 | C11 | H17 | 62.3° | 177.2° |
| C13 | C12 | C11 | H18 | 178.6° | 57.2° |
| C13 | C12 | H19 | H20 | 120.2° | 119.9° |
| C12 | C13 | O1 | H22 | 180.0° | 180.0° |
| C12 | C13 | C14 | H23 | 72.2° | 64.6° |
| C12 | C13 | C14 | H24 | 167.9° | 174.9° |
| C11 | C9 | C8 | C15 | 116.6° | 122.9° |
| C11 | C9 | C8 | C18 | 165.7° | 159.4° |
| C11 | C9 | C15 | C14 | 45.7° | 51.4° |
| C11 | C9 | C15 | C16 | 132.7° | 128.5° |
| C11 | C9 | C8 | H13 | 48.4° | 41.1° |
| C11 | C9 | C10 | H14 | 180.0° | 58.8° |
| C11 | C9 | C10 | H15 | 60.0° | 61.2° |
| C11 | C9 | C10 | H16 | 60.0° | 178.8° |
| C9 | C11 | H17 | H18 | 118.7° | 120.1° |
| C9 | C11 | C12 | H19 | 61.7° | 57.3° |
| C9 | C11 | C12 | H20 | 178.1° | 177.1° |
| C6 | C4 | C3 | C19 | 112.6° | 117.0° |
| C6 | C4 | C3 | C2 | 104.4° | 101.5° |
| C6 | C4 | C3 | C21 | 141.1° | 147.5° |
| C6 | C4 | C19 | C18 | 67.8° | 70.0° |
| C6 | C4 | C19 | C20 | 164.7° | 168.3° |
| C6 | C4 | C3 | H5 | 22.7° | 24.5° |
| C6 | C4 | C5 | H6 | 180.0° | 59.2° |
| C6 | C4 | C5 | H7 | 60.0° | 60.8° |
| C6 | C4 | C5 | H8 | 60.0° | 179.2° |
| C4 | C6 | H9 | H10 | 121.3° | 121.0° |
| C4 | C6 | C7 | H11 | 62.9° | 63.0° |
| C4 | C6 | C7 | H12 | 177.9° | 178.2° |
| C6 | C4 | C19 | H29 | 52.0° | 50.4° |
| C30 | C29 | C28 | O3 | 173.2° | 180.0° |
| C30 | C29 | C28 | H44 | 118.8° | 120.0° |
| C30 | C29 | C28 | H45 | 118.8° | 120.0° |
| C30 | C29 | H44 | H45 | 123.3° | 120.0° |
| C29 | C30 | H46 | H47 | 120.0° | 120.0° |
| C29 | C30 | H46 | H48 | 120.0° | 120.0° |
| C29 | C30 | H47 | H48 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 104.5° | 110.4° |
| C1 | C2 | C3 | C22 | 114.2° | 118.3° |
| C1 | C2 | C3 | H4 | 125.2° | 123.3° |
| C1 | C2 | C22 | H4 | 124.2° | 123.5° |
| C1 | C2 | C3 | C21 | 139.1° | 137.9° |
| C1 | C2 | C22 | C23 | 75.8° | 86.4° |
| C1 | C2 | C22 | O2 | 161.6° | 155.2° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 22.2° | 15.9° |
| C1 | C2 | C22 | H33 | 46.1° | 36.6° |
| C9 | C8 | C18 | H13 | 116.3° | 118.1° |
| C9 | C8 | C18 | C19 | 179.4° | 178.8° |
| C9 | C8 | C18 | C17 | 58.2° | 62.9° |
| C8 | C9 | C15 | C14 | 159.3° | 174.7° |
| C8 | C9 | C15 | C16 | 19.1° | 5.2° |
| C9 | C8 | C7 | H11 | 62.2° | 56.2° |
| C9 | C8 | C7 | H12 | 57.0° | 62.7° |
| C8 | C9 | C10 | H14 | 63.9° | 60.0° |
| C8 | C9 | C10 | H15 | 56.1° | 180.0° |
| C8 | C9 | C10 | H16 | 176.1° | 60.1° |
| C8 | C9 | C11 | H17 | 46.2° | 60.4° |
| C8 | C9 | C11 | H18 | 72.9° | 59.7° |
| C9 | C8 | C18 | H28 | 62.8° | 58.5° |
| C15 | C9 | C8 | C18 | 49.1° | 36.5° |
| C9 | C15 | C14 | C13 | 44.3° | 51.5° |
| C9 | C15 | C14 | C16 | 178.5° | 179.9° |
| C9 | C15 | C16 | C17 | 1.0° | 0.3° |
| C15 | C9 | C8 | H13 | 68.2° | 81.9° |
| C15 | C9 | C10 | H14 | 58.8° | 176.8° |
| C15 | C9 | C10 | H15 | 178.8° | 56.8° |
| C15 | C9 | C10 | H16 | 61.2° | 63.1° |
| C15 | C9 | C11 | H17 | 69.6° | 174.4° |
| C15 | C9 | C11 | H18 | 171.3° | 65.6° |
| C9 | C15 | C14 | H23 | 75.8° | 68.1° |
| C9 | C15 | C14 | H24 | 164.4° | 171.2° |
| C9 | C15 | C16 | H25 | 179.0° | 179.7° |
| C28 | O3 | C27 | C25 | 159.6° | 180.0° |
| C28 | O3 | C27 | H42 | 41.5° | 60.0° |
| C28 | O3 | C27 | H43 | 82.2° | 60.0° |
| O3 | C28 | C29 | H44 | 68.0° | 60.0° |
| O3 | C28 | C29 | H45 | 54.4° | 60.0° |
| C29 | C28 | O3 | C27 | 4.7° | 180.0° |
| C28 | C29 | H44 | H45 | 123.3° | 120.0° |
| C28 | C29 | C30 | H46 | 180.0° | 180.0° |
| C28 | C29 | C30 | H47 | 60.0° | 60.0° |
| C28 | C29 | C30 | H48 | 60.0° | 60.0° |
| C4 | C3 | C2 | C21 | 116.4° | 111.8° |
| C4 | C3 | C2 | H5 | 126.7° | 126.3° |
| C4 | C3 | C2 | C22 | 141.3° | 131.4° |
| C4 | C3 | C21 | H5 | 117.3° | 123.2° |
| C3 | C4 | C19 | C18 | 175.2° | 166.8° |
| C3 | C4 | C19 | C20 | 47.7° | 45.0° |
| C4 | C3 | C21 | O2 | 121.4° | 111.0° |
| C4 | C3 | C21 | C20 | 1.9° | 4.9° |
| C4 | C3 | C2 | H4 | 20.7° | 13.0° |
| C3 | C4 | C5 | H6 | 51.2° | 70.1° |
| C3 | C4 | C5 | H7 | 68.8° | 169.8° |
| C3 | C4 | C5 | H8 | 171.2° | 49.9° |
| C3 | C4 | C6 | H9 | 48.6° | 60.9° |
| C3 | C4 | C6 | H10 | 72.3° | 60.2° |
| C3 | C4 | C19 | H29 | 65.0° | 72.9° |
| C4 | C3 | C21 | H32 | 117.8° | 126.4° |
| C19 | C4 | C3 | C2 | 143.0° | 141.5° |
| C4 | C19 | C18 | C8 | 62.8° | 63.7° |
| C19 | C4 | C3 | C21 | 28.5° | 30.5° |
| C4 | C19 | C18 | C20 | 119.6° | 112.5° |
| C4 | C19 | C18 | H29 | 120.0° | 120.4° |
| C4 | C19 | C18 | C17 | 177.5° | 178.9° |
| C4 | C19 | C20 | H29 | 113.3° | 117.5° |
| C4 | C19 | C20 | C21 | 49.4° | 41.4° |
| C19 | C4 | C3 | H5 | 89.8° | 92.5° |
| C19 | C4 | C5 | H6 | 57.8° | 177.0° |
| C19 | C4 | C5 | H7 | 177.8° | 56.9° |
| C19 | C4 | C5 | H8 | 62.2° | 63.0° |
| C19 | C4 | C6 | H9 | 59.4° | 175.7° |
| C19 | C4 | C6 | H10 | 179.7° | 54.6° |
| C4 | C19 | C18 | H28 | 55.4° | 56.6° |
| C4 | C19 | C20 | H30 | 68.9° | 77.0° |
| C4 | C19 | C20 | H31 | 167.7° | 159.9° |
| C3 | C2 | C22 | H4 | 120.5° | 118.3° |
| C2 | C3 | C21 | H5 | 116.5° | 121.8° |
| C3 | C2 | C22 | C23 | 169.0° | 155.4° |
| C3 | C2 | C22 | O2 | 46.4° | 36.9° |
| C2 | C3 | C21 | O2 | 4.8° | 4.0° |
| C2 | C3 | C21 | C20 | 124.3° | 119.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 179.9° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C21 | H32 | 115.9° | 118.6° |
| C3 | C2 | C22 | H33 | 69.1° | 81.6° |
| C22 | C2 | C3 | C21 | 24.8° | 19.6° |
| C2 | C22 | C23 | O2 | 112.9° | 114.0° |
| C2 | C22 | C23 | H33 | 121.8° | 123.0° |
| C2 | C22 | C23 | C24 | 178.6° | 175.0° |
| C2 | C22 | O2 | H33 | 114.4° | 118.5° |
| C2 | C22 | O2 | C21 | 49.2° | 41.2° |
| C22 | C2 | C1 | H1 | 68.7° | 173.0° |
| C22 | C2 | C1 | H2 | 51.3° | 67.0° |
| C22 | C2 | C1 | H3 | 171.2° | 53.0° |
| C22 | C2 | C3 | H5 | 92.0° | 102.3° |
| C2 | C22 | C23 | H34 | 59.0° | 55.0° |
| C2 | C22 | C23 | H35 | 61.7° | 65.0° |
| C8 | C18 | C19 | C17 | 119.6° | 117.5° |
| C8 | C18 | C19 | H28 | 118.2° | 120.2° |
| C8 | C18 | C17 | H28 | 121.2° | 121.0° |
| C8 | C18 | C19 | C20 | 177.5° | 176.2° |
| C8 | C18 | C17 | C16 | 37.1° | 56.5° |
| C18 | C8 | C7 | H11 | 64.1° | 66.6° |
| C18 | C8 | C7 | H12 | 176.7° | 174.5° |
| C8 | C18 | C17 | H26 | 83.8° | 176.3° |
| C8 | C18 | C17 | H27 | 158.1° | 63.4° |
| C8 | C18 | C19 | H29 | 57.1° | 56.7° |
| O3 | C27 | C25 | H42 | 118.1° | 120.0° |
| O3 | C27 | C25 | H43 | 118.1° | 120.0° |
| O3 | C27 | C25 | C24 | 111.2° | 175.0° |
| O3 | C27 | C25 | C26 | 131.3° | 65.0° |
| O3 | C27 | C25 | H38 | 10.9° | 55.0° |
| O3 | C27 | H42 | H43 | 125.3° | 120.0° |
| O1 | C13 | C14 | H21 | 116.8° | 120.0° |
| O1 | C13 | C14 | C15 | 173.2° | 175.1° |
| O1 | C13 | C12 | H19 | 60.7° | 63.6° |
| O1 | C13 | C12 | H20 | 59.5° | 56.2° |
| O1 | C13 | C14 | H23 | 53.1° | 55.4° |
| O1 | C13 | C14 | H24 | 66.8° | 65.1° |
| C13 | C14 | C15 | H23 | 120.1° | 119.6° |
| C13 | C14 | C15 | H24 | 120.1° | 119.7° |
| C13 | C14 | C15 | C16 | 134.2° | 128.4° |
| C14 | C13 | C12 | H19 | 63.1° | 56.5° |
| C14 | C13 | C12 | H20 | 176.8° | 176.3° |
| C14 | C13 | O1 | H22 | 53.9° | 59.9° |
| C13 | C14 | H23 | H24 | 119.9° | 120.5° |
| C3 | C21 | C20 | C19 | 30.3° | 22.9° |
| C3 | C21 | O2 | C22 | 35.1° | 28.4° |
| C3 | C21 | O2 | C20 | 116.8° | 114.3° |
| C3 | C21 | O2 | H32 | 120.7° | 122.3° |
| C3 | C21 | C20 | H32 | 120.3° | 121.5° |
| C21 | C3 | C2 | H4 | 95.7° | 98.8° |
| C3 | C21 | C20 | H30 | 88.0° | 95.5° |
| C3 | C21 | C20 | H31 | 148.6° | 141.4° |
| C19 | C18 | C17 | H28 | 122.1° | 121.9° |
| C18 | C19 | C20 | H29 | 120.7° | 126.7° |
| C19 | C18 | C17 | C16 | 153.8° | 173.6° |
| C18 | C19 | C20 | C21 | 175.4° | 157.2° |
| C19 | C18 | C8 | H13 | 63.0° | 63.1° |
| C19 | C18 | C17 | H26 | 32.9° | 66.5° |
| C19 | C18 | C17 | H27 | 85.3° | 53.8° |
| C18 | C19 | C20 | H30 | 57.1° | 38.8° |
| C18 | C19 | C20 | H31 | 66.2° | 84.3° |
| C18 | C17 | C16 | C15 | 7.1° | 26.7° |
| C17 | C18 | C19 | C20 | 57.9° | 66.3° |
| C18 | C17 | C16 | H26 | 120.9° | 119.9° |
| C18 | C17 | C16 | H27 | 120.9° | 120.0° |
| C17 | C18 | C8 | H13 | 58.1° | 55.2° |
| C18 | C17 | C16 | H25 | 172.9° | 153.3° |
| C18 | C17 | H26 | H27 | 117.1° | 120.3° |
| C17 | C18 | C19 | H29 | 62.5° | 60.7° |
| C14 | C15 | C16 | C17 | 179.5° | 179.6° |
| C15 | C14 | C13 | H21 | 70.1° | 64.9° |
| C15 | C14 | H23 | H24 | 119.8° | 120.7° |
| C14 | C15 | C16 | H25 | 0.5° | 0.5° |
| C15 | C16 | C17 | H25 | 180.0° | 179.9° |
| C16 | C15 | C14 | H23 | 105.7° | 112.0° |
| C16 | C15 | C14 | H24 | 14.1° | 8.6° |
| C15 | C16 | C17 | H26 | 113.8° | 146.5° |
| C15 | C16 | C17 | H27 | 128.1° | 93.3° |
| C22 | C23 | C24 | H34 | 119.7° | 120.0° |
| C22 | C23 | C24 | H35 | 119.6° | 120.0° |
| C23 | C22 | O2 | H33 | 124.7° | 123.0° |
| C23 | C22 | O2 | C21 | 170.1° | 159.7° |
| C22 | C23 | C24 | C25 | 173.3° | NaN° |
| C23 | C22 | C2 | H4 | 48.4° | 37.1° |
| C22 | C23 | H34 | H35 | 121.0° | 120.0° |
| C22 | C23 | C24 | H36 | 66.1° | 60.0° |
| C22 | C23 | C24 | H37 | 52.6° | 60.0° |
| C24 | C23 | C22 | O2 | 68.5° | 71.0° |
| C23 | C24 | C25 | C27 | 75.1° | 175.0° |
| C23 | C24 | C25 | H36 | 120.6° | 120.1° |
| C23 | C24 | C25 | H37 | 120.7° | 120.0° |
| C23 | C24 | C25 | C26 | 178.1° | 65.0° |
| C24 | C23 | C22 | H33 | 56.8° | 52.0° |
| C24 | C23 | H34 | H35 | 121.0° | 120.0° |
| C23 | C24 | H36 | H37 | 118.0° | 120.0° |
| C23 | C24 | C25 | H38 | 47.4° | 55.1° |
| C19 | C20 | C21 | O2 | 146.9° | 137.6° |
| C19 | C20 | C21 | H30 | 118.3° | 118.4° |
| C19 | C20 | C21 | H31 | 118.3° | 118.4° |
| C20 | C19 | C18 | H28 | 64.2° | 56.0° |
| C19 | C20 | H30 | H31 | 124.8° | 123.1° |
| C19 | C20 | C21 | H32 | 90.0° | 98.6° |
| C22 | O2 | C21 | C20 | 151.9° | 142.6° |
| O2 | C22 | C2 | H4 | 74.2° | 81.4° |
| C22 | O2 | C21 | H32 | 85.6° | 93.9° |
| O2 | C22 | C23 | H34 | 171.8° | 169.0° |
| O2 | C22 | C23 | H35 | 51.2° | 49.0° |
| C27 | C25 | C24 | C26 | 106.8° | 120.0° |
| C27 | C25 | C24 | H38 | 122.5° | 119.9° |
| C27 | C25 | C26 | H38 | 120.5° | 120.0° |
| C27 | C25 | C24 | H36 | 164.3° | 64.9° |
| C27 | C25 | C24 | H37 | 45.6° | 55.0° |
| C27 | C25 | C26 | H39 | 180.0° | 60.1° |
| C27 | C25 | C26 | H40 | 60.0° | 180.0° |
| C27 | C25 | C26 | H41 | 60.0° | 60.0° |
| C25 | C27 | H42 | H43 | 125.3° | 120.1° |
| O2 | C21 | C20 | H32 | 123.1° | 123.8° |
| O2 | C21 | C3 | H5 | 121.2° | 125.8° |
| O2 | C21 | C20 | H30 | 28.6° | 19.1° |
| O2 | C21 | C20 | H31 | 94.8° | 104.0° |
| C21 | O2 | C22 | H33 | 65.2° | 77.3° |
| C16 | C17 | H26 | H27 | 117.1° | 120.1° |
| C16 | C17 | C18 | H28 | 84.1° | 64.5° |
| C20 | C21 | C3 | H5 | 119.3° | 118.3° |
| C21 | C20 | C19 | H29 | 63.9° | 76.1° |
| C21 | C20 | H30 | H31 | 124.8° | 123.2° |
| C24 | C25 | C26 | H38 | 130.4° | 120.0° |
| C25 | C24 | C23 | H34 | 53.6° | 60.0° |
| C25 | C24 | C23 | H35 | 67.1° | 60.0° |
| C25 | C24 | H36 | H37 | 118.0° | 120.0° |
| C24 | C25 | C26 | H39 | 71.0° | 180.0° |
| C24 | C25 | C26 | H40 | 49.0° | 60.0° |
| C24 | C25 | C26 | H41 | 169.0° | 60.0° |
| C24 | C25 | C27 | H42 | 6.9° | 65.0° |
| C24 | C25 | C27 | H43 | 130.7° | 55.0° |
| C26 | C25 | C24 | H36 | 57.4° | 55.0° |
| C26 | C25 | C24 | H37 | 61.3° | 175.0° |
| C25 | C26 | H39 | H40 | 120.0° | 119.9° |
| C25 | C26 | H39 | H41 | 120.0° | 120.0° |
| C25 | C26 | H40 | H41 | 120.0° | 120.0° |
| C26 | C25 | C27 | H42 | 110.6° | 55.0° |
| C26 | C25 | C27 | H43 | 13.2° | 175.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 55.2° | 63.4° |
| H2 | C1 | C2 | H4 | 175.2° | 56.6° |
| H3 | C1 | C2 | H4 | 64.9° | 176.7° |
| H4 | C2 | C3 | H5 | 147.4° | 139.2° |
| H4 | C2 | C22 | H33 | 170.4° | 160.1° |
| H5 | C3 | C21 | H32 | 0.5° | 3.2° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| H9 | C6 | C7 | H11 | 177.5° | 56.4° |
| H9 | C6 | C7 | H12 | 58.4° | 62.4° |
| H10 | C6 | C7 | H11 | 56.7° | 177.6° |
| H10 | C6 | C7 | H12 | 62.5° | 58.8° |
| H11 | C7 | C8 | H13 | 178.2° | 173.9° |
| H12 | C7 | C8 | H13 | 59.0° | 55.0° |
| H13 | C8 | C18 | H28 | 179.1° | 176.6° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| H17 | C11 | C12 | H19 | 177.8° | 62.7° |
| H17 | C11 | C12 | H20 | 57.6° | 57.2° |
| H18 | C11 | C12 | H19 | 58.7° | 177.3° |
| H18 | C11 | C12 | H20 | 61.5° | 62.9° |
| H19 | C12 | C13 | H21 | 179.1° | 176.4° |
| H20 | C12 | C13 | H21 | 59.0° | 63.7° |
| H21 | C13 | O1 | H22 | 62.1° | 60.0° |
| H21 | C13 | C14 | H23 | 169.9° | 175.4° |
| H21 | C13 | C14 | H24 | 50.0° | 54.9° |
| H25 | C16 | C17 | H26 | 66.2° | 33.4° |
| H25 | C16 | C17 | H27 | 52.0° | 86.8° |
| H26 | C17 | C18 | H28 | 155.0° | 55.4° |
| H27 | C17 | C18 | H28 | 36.8° | 175.6° |
| H28 | C18 | C19 | H29 | 175.3° | 177.0° |
| H29 | C19 | C20 | H30 | 177.8° | 165.5° |
| H29 | C19 | C20 | H31 | 54.4° | 42.4° |
| H30 | C20 | C21 | H32 | 151.7° | 142.9° |
| H31 | C20 | C21 | H32 | 28.3° | 19.8° |
| H33 | C22 | C23 | H34 | 62.8° | 68.0° |
| H33 | C22 | C23 | H35 | 176.5° | 172.0° |
| H34 | C23 | C24 | H36 | 174.3° | 179.9° |
| H34 | C23 | C24 | H37 | 67.0° | 60.0° |
| H35 | C23 | C24 | H36 | 53.6° | 60.0° |
| H35 | C23 | C24 | H37 | 172.3° | 180.0° |
| H36 | C24 | C25 | H38 | 73.2° | 175.1° |
| H37 | C24 | C25 | H38 | 168.1° | 65.0° |
| H38 | C25 | C26 | H39 | 59.5° | 59.9° |
| H38 | C25 | C26 | H40 | 179.5° | 60.0° |
| H38 | C25 | C26 | H41 | 60.5° | 180.0° |
| H38 | C25 | C27 | H42 | 129.0° | 175.0° |
| H38 | C25 | C27 | H43 | 107.2° | 64.9° |
| H39 | C26 | H40 | H41 | 119.9° | 120.0° |
| H44 | C29 | C30 | H46 | 61.2° | 60.0° |
| H44 | C29 | C30 | H47 | 58.8° | 180.0° |
| H44 | C29 | C30 | H48 | 178.8° | 60.0° |
| H45 | C29 | C30 | H46 | 61.2° | 60.0° |
| H45 | C29 | C30 | H47 | 178.8° | 60.0° |
| H45 | C29 | C30 | H48 | 58.8° | 180.0° |
| H46 | C30 | H47 | H48 | 120.0° | 120.0° |
