A1JMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.55Å | 1.54Å | |
| C2 | C5 | sing | 1.52Å | 1.53Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C27 | sing | 1.55Å | 1.56Å | |
| C4 | C28 | sing | 1.53Å | 1.57Å | |
| C5 | C7 | sing | 1.55Å | 1.56Å | |
| C5 | C27 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.52Å | 1.54Å | |
| C8 | O3 | sing | 1.43Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C28 | sing | 1.55Å | 1.53Å | |
| C10 | C15 | sing | 1.52Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | O2 | sing | 1.43Å | 1.43Å | |
| C14 | C17 | sing | 1.55Å | 1.51Å | |
| C14 | C15 | sing | 1.49Å | 1.55Å | |
| C15 | C28 | sing | 1.50Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| O3 | C17 | sing | 1.33Å | 1.34Å | |
| C17 | O4 | doub | 1.21Å | 1.20Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.57Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O5 | sing | 1.43Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | O6 | sing | 1.43Å | 1.43Å | |
| C25 | C27 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| O5 | H40 | sing | 0.97Å | 0.95Å | |
| O6 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C3 | 103.7° | 102.9° |
| C1 | C7 | C5 | 102.7° | 102.1° |
| C1 | C7 | C9 | 118.9° | 115.7° |
| C7 | C1 | H1 | 110.9° | 110.7° |
| C7 | C1 | H2 | 110.9° | 110.7° |
| C1 | C7 | H12 | 106.4° | 109.8° |
| C1 | C3 | C27 | 107.0° | 106.4° |
| C3 | C1 | H1 | 110.9° | 110.7° |
| C3 | C1 | H2 | 110.9° | 110.7° |
| C1 | C3 | H6 | 110.1° | 110.1° |
| C1 | C3 | H5 | 110.1° | 110.1° |
| C5 | C2 | C4 | 111.9° | 106.6° |
| C2 | C5 | C7 | 106.5° | 105.4° |
| C2 | C5 | C27 | 116.7° | 115.4° |
| C2 | C5 | C6 | 111.3° | 110.5° |
| C5 | C2 | H3 | 108.9° | 110.1° |
| C5 | C2 | H4 | 108.9° | 110.1° |
| C2 | C4 | C28 | 114.6° | 114.8° |
| C4 | C2 | H3 | 108.8° | 109.5° |
| C4 | C2 | H4 | 108.9° | 110.4° |
| C2 | C4 | H8 | 108.2° | 108.6° |
| C2 | C4 | H7 | 108.2° | 108.6° |
| C3 | C27 | C5 | 103.0° | 105.5° |
| C3 | C27 | C25 | 113.2° | 110.2° |
| C27 | C3 | H6 | 110.1° | 110.1° |
| C27 | C3 | H5 | 110.1° | 110.0° |
| C3 | C27 | H47 | 106.1° | 110.3° |
| C4 | C28 | C9 | 108.1° | 112.6° |
| C4 | C28 | C15 | 110.7° | 107.7° |
| C28 | C4 | H8 | 108.2° | 107.4° |
| C28 | C4 | H7 | 108.1° | 108.9° |
| C4 | C28 | H48 | 104.7° | 109.3° |
| C7 | C5 | C27 | 99.6° | 103.2° |
| C7 | C5 | C6 | 112.2° | 110.6° |
| C5 | C7 | C9 | 115.6° | 109.1° |
| C5 | C7 | H12 | 106.1° | 109.8° |
| C27 | C5 | C6 | 109.9° | 111.3° |
| C5 | C27 | C25 | 121.2° | 110.2° |
| C5 | C27 | H47 | 106.1° | 110.2° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C7 | C9 | C8 | 111.1° | 106.6° |
| C7 | C9 | C28 | 107.3° | 108.6° |
| C7 | C9 | H15 | 107.2° | 111.0° |
| C9 | C7 | H12 | 106.3° | 110.0° |
| O3 | C8 | C9 | 105.2° | 114.4° |
| C8 | O3 | C17 | 124.0° | 119.9° |
| O3 | C8 | H13 | 110.5° | 108.5° |
| O3 | C8 | H14 | 110.5° | 108.5° |
| C8 | C9 | C28 | 115.6° | 107.6° |
| C8 | C9 | H15 | 107.8° | 111.8° |
| C9 | C8 | H13 | 110.5° | 108.5° |
| C9 | C8 | H14 | 110.5° | 108.5° |
| C9 | C28 | C15 | 121.7° | 109.9° |
| C28 | C9 | H15 | 107.5° | 111.1° |
| C9 | C28 | H48 | 105.1° | 108.0° |
| C15 | C10 | C12 | 114.9° | 108.5° |
| C10 | C15 | C14 | 106.9° | 111.4° |
| C10 | C15 | C28 | 112.0° | 114.5° |
| C10 | C15 | C16 | 107.3° | 101.4° |
| C15 | C10 | H16 | 108.1° | 109.6° |
| C15 | C10 | H17 | 108.1° | 109.7° |
| C10 | C12 | C13 | 110.7° | 110.1° |
| C10 | C12 | O1 | 108.1° | 109.4° |
| C12 | C10 | H16 | 108.1° | 109.6° |
| C12 | C10 | H17 | 108.1° | 109.6° |
| C10 | C12 | H20 | 108.5° | 109.4° |
| C14 | C11 | C13 | 111.2° | 107.8° |
| C11 | C14 | C17 | 109.9° | 111.0° |
| C11 | C14 | C15 | 111.5° | 110.5° |
| C14 | C11 | H19 | 109.0° | 109.7° |
| C14 | C11 | H18 | 109.0° | 109.7° |
| C11 | C14 | H24 | 107.5° | 108.0° |
| C11 | C13 | C12 | 111.3° | 110.1° |
| C11 | C13 | O2 | 110.5° | 109.4° |
| C13 | C11 | H19 | 109.0° | 109.7° |
| C13 | C11 | H18 | 109.0° | 110.2° |
| C11 | C13 | H22 | 108.4° | 109.4° |
| C13 | C12 | O1 | 111.1° | 109.3° |
| C12 | C13 | O2 | 108.6° | 109.7° |
| C13 | C12 | H20 | 108.6° | 109.4° |
| C12 | C13 | H22 | 108.4° | 109.0° |
| O1 | C12 | H20 | 109.8° | 109.3° |
| C12 | O1 | H21 | 109.5° | 114.0° |
| C13 | O2 | H23 | 109.5° | 114.0° |
| O2 | C13 | H22 | 109.6° | 109.3° |
| C17 | C14 | C15 | 112.9° | 110.4° |
| C14 | C17 | O3 | 114.0° | 117.9° |
| C14 | C17 | O4 | 121.8° | 121.5° |
| C17 | C14 | H24 | 107.7° | 108.3° |
| C14 | C15 | C28 | 112.0° | 121.4° |
| C14 | C15 | C16 | 108.4° | 102.2° |
| C15 | C14 | H24 | 107.2° | 108.5° |
| C28 | C15 | C16 | 110.0° | 102.4° |
| C15 | C28 | H48 | 105.1° | 109.3° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.4° | 109.4° |
| O3 | C17 | O4 | 124.1° | 120.6° |
| C18 | C19 | C21 | 112.6° | 109.5° |
| C18 | C19 | C20 | 108.7° | 109.5° |
| C19 | C18 | H30 | 109.5° | 109.5° |
| C19 | C18 | H28 | 109.5° | 109.5° |
| C19 | C18 | H29 | 109.5° | 109.5° |
| C18 | C19 | H31 | 107.6° | 109.5° |
| C21 | C19 | C20 | 113.1° | 109.5° |
| C19 | C21 | C23 | 109.2° | 109.5° |
| C19 | C21 | C22 | 112.6° | 109.4° |
| C19 | C21 | H35 | 107.1° | 109.4° |
| C21 | C19 | H31 | 107.0° | 109.4° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.4° |
| C20 | C19 | H31 | 107.5° | 109.5° |
| C23 | C21 | C22 | 112.2° | 109.5° |
| C21 | C23 | C24 | 123.1° | 109.5° |
| C21 | C23 | O5 | 107.7° | 109.5° |
| C21 | C23 | H39 | 106.5° | 109.5° |
| C23 | C21 | H35 | 107.6° | 109.5° |
| C21 | C22 | H37 | 109.5° | 109.5° |
| C21 | C22 | H38 | 109.5° | 109.5° |
| C21 | C22 | H36 | 109.5° | 109.4° |
| C22 | C21 | H35 | 107.9° | 109.5° |
| C24 | C23 | O5 | 105.1° | 109.5° |
| C23 | C24 | C25 | 116.1° | 109.5° |
| C23 | C24 | O6 | 109.0° | 109.5° |
| C23 | C24 | H41 | 107.2° | 109.5° |
| C24 | C23 | H39 | 106.4° | 109.5° |
| O5 | C23 | H39 | 107.3° | 109.5° |
| C23 | O5 | H40 | 109.5° | 114.0° |
| C25 | C24 | O6 | 108.5° | 109.5° |
| C24 | C25 | C27 | 109.7° | 109.4° |
| C24 | C25 | C26 | 114.2° | 109.5° |
| C25 | C24 | H41 | 107.3° | 109.5° |
| C24 | C25 | H43 | 106.8° | 109.5° |
| O6 | C24 | H41 | 108.5° | 109.4° |
| C24 | O6 | H42 | 109.5° | 114.0° |
| C27 | C25 | C26 | 112.0° | 109.5° |
| C27 | C25 | H43 | 106.6° | 109.4° |
| C25 | C27 | H47 | 106.1° | 110.3° |
| C26 | C25 | H43 | 107.0° | 109.5° |
| C25 | C26 | H44 | 109.5° | 109.5° |
| C25 | C26 | H45 | 109.5° | 109.4° |
| C25 | C26 | H46 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 110.8° |
| H3 | C2 | H4 | 109.4° | 110.1° |
| H6 | C3 | H5 | 109.4° | 110.1° |
| H8 | C4 | H7 | 109.5° | 108.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.4° |
| H26 | C16 | H27 | 109.4° | 109.5° |
| H26 | C16 | H25 | 109.5° | 109.5° |
| H27 | C16 | H25 | 109.5° | 109.5° |
| H30 | C18 | H28 | 109.4° | 109.5° |
| H30 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 108.3° |
| H16 | C10 | H17 | 109.5° | 109.8° |
| H19 | C11 | H18 | 109.5° | 109.7° |
| H37 | C22 | H38 | 109.5° | 109.4° |
| H37 | C22 | H36 | 109.5° | 109.5° |
| H38 | C22 | H36 | 109.5° | 109.6° |
| H33 | C20 | H34 | 109.5° | 109.4° |
| H33 | C20 | H32 | 109.5° | 109.5° |
| H34 | C20 | H32 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.5° | 109.5° |
| H44 | C26 | H46 | 109.5° | 109.6° |
| H45 | C26 | H46 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C3 | H1 | 119.1° | 118.3° |
| C7 | C1 | C3 | H2 | 119.1° | 118.4° |
| C1 | C7 | C5 | C2 | 170.7° | 165.4° |
| C7 | C1 | C3 | C27 | 10.8° | 23.7° |
| C1 | C7 | C5 | C9 | 131.0° | 123.0° |
| C1 | C7 | C5 | H12 | 111.5° | 116.5° |
| C1 | C7 | C5 | C27 | 49.0° | 43.9° |
| C1 | C7 | C5 | C6 | 67.2° | 75.2° |
| C1 | C7 | C9 | H12 | 119.8° | 125.1° |
| C1 | C7 | C9 | C8 | 47.6° | 69.1° |
| C1 | C7 | C9 | C28 | 174.8° | 175.3° |
| C7 | C1 | H1 | H2 | 122.7° | 123.3° |
| C7 | C1 | C3 | H6 | 130.4° | 143.0° |
| C7 | C1 | C3 | H5 | 108.8° | 95.5° |
| C1 | C7 | C9 | H15 | 70.0° | 52.9° |
| C1 | C3 | C27 | H6 | 119.6° | 119.3° |
| C1 | C3 | C27 | H5 | 119.6° | 119.2° |
| C3 | C1 | C7 | C5 | 37.2° | 41.3° |
| C1 | C3 | C27 | C5 | 19.4° | 3.3° |
| C3 | C1 | C7 | C9 | 166.1° | 159.7° |
| C1 | C3 | C27 | C25 | 152.1° | 122.3° |
| C3 | C1 | H1 | H2 | 122.7° | 123.3° |
| C1 | C3 | H6 | H5 | 121.2° | 121.5° |
| C3 | C1 | C7 | H12 | 74.1° | 75.1° |
| C1 | C3 | C27 | H47 | 91.9° | 115.7° |
| C5 | C2 | C4 | H3 | 120.4° | 119.1° |
| C5 | C2 | C4 | H4 | 120.4° | 119.6° |
| C2 | C5 | C27 | C3 | 155.4° | 143.3° |
| C5 | C2 | C4 | C28 | 55.3° | 56.8° |
| C2 | C5 | C7 | C27 | 121.7° | 121.4° |
| C2 | C5 | C7 | C6 | 122.1° | 119.4° |
| C2 | C5 | C27 | C6 | 128.0° | 126.9° |
| C2 | C5 | C7 | C9 | 58.3° | 71.7° |
| C2 | C5 | C27 | C25 | 76.8° | 97.8° |
| C5 | C2 | H3 | H4 | 118.9° | 121.5° |
| C5 | C2 | C4 | H8 | 65.4° | 63.4° |
| C5 | C2 | C4 | H7 | 176.0° | 178.9° |
| C2 | C5 | C6 | H9 | 180.0° | 57.9° |
| C2 | C5 | C6 | H10 | 60.0° | 177.9° |
| C2 | C5 | C6 | H11 | 60.0° | 62.1° |
| C2 | C5 | C7 | H12 | 59.2° | 48.9° |
| C2 | C5 | C27 | H47 | 44.1° | 24.2° |
| C2 | C4 | C28 | H8 | 120.7° | 120.8° |
| C2 | C4 | C28 | H7 | 120.8° | 122.0° |
| C4 | C2 | C5 | C7 | 51.7° | 66.3° |
| C4 | C2 | C5 | C27 | 161.8° | 179.4° |
| C4 | C2 | C5 | C6 | 70.9° | 53.3° |
| C2 | C4 | C28 | C9 | 57.0° | 47.8° |
| C2 | C4 | C28 | C15 | 167.4° | 169.1° |
| C4 | C2 | H3 | H4 | 118.9° | 121.5° |
| C2 | C4 | H8 | H7 | 117.7° | 117.8° |
| C2 | C4 | C28 | H48 | 54.6° | 72.3° |
| C3 | C27 | C5 | C7 | 41.3° | 28.8° |
| C3 | C27 | C5 | C25 | 127.8° | 119.0° |
| C3 | C27 | C5 | H47 | 111.3° | 119.1° |
| C3 | C27 | C5 | C6 | 76.7° | 89.8° |
| C3 | C27 | C25 | C24 | 60.5° | 56.4° |
| C3 | C27 | C25 | H47 | 116.0° | 122.0° |
| C3 | C27 | C25 | C26 | 171.6° | 176.4° |
| C27 | C3 | C1 | H1 | 108.2° | 142.1° |
| C27 | C3 | C1 | H2 | 129.9° | 94.6° |
| C27 | C3 | H6 | H5 | 121.1° | 121.5° |
| C3 | C27 | C25 | H43 | 54.8° | 63.6° |
| C4 | C28 | C9 | C7 | 56.8° | 48.0° |
| C4 | C28 | C9 | C8 | 178.7° | 163.1° |
| C4 | C28 | C9 | C15 | 129.7° | 120.0° |
| C4 | C28 | C9 | H48 | 111.4° | 120.8° |
| C4 | C28 | C15 | C10 | 72.1° | 9.7° |
| C4 | C28 | C15 | C14 | 167.8° | 148.2° |
| C4 | C28 | C15 | H48 | 112.5° | 118.7° |
| C4 | C28 | C15 | C16 | 47.1° | 99.1° |
| C28 | C4 | C2 | H3 | 175.7° | 62.3° |
| C28 | C4 | C2 | H4 | 65.1° | 176.3° |
| C28 | C4 | H8 | H7 | 117.6° | 117.6° |
| C4 | C28 | C9 | H15 | 58.2° | 74.3° |
| C7 | C5 | C27 | C6 | 118.0° | 118.7° |
| C5 | C7 | C9 | H12 | 117.4° | 120.5° |
| C5 | C7 | C9 | C8 | 170.3° | 176.5° |
| C5 | C7 | C9 | C28 | 62.4° | 60.9° |
| C7 | C5 | C27 | C25 | 169.2° | 147.8° |
| C5 | C7 | C1 | H1 | 81.9° | 159.7° |
| C5 | C7 | C1 | H2 | 156.2° | 77.0° |
| C7 | C5 | C2 | H3 | 172.1° | 52.4° |
| C7 | C5 | C2 | H4 | 68.6° | 173.9° |
| C7 | C5 | C6 | H9 | 60.7° | 58.4° |
| C7 | C5 | C6 | H10 | 179.3° | 61.6° |
| C7 | C5 | C6 | H11 | 59.3° | 178.5° |
| C5 | C7 | C9 | H15 | 52.7° | 61.5° |
| C7 | C5 | C27 | H47 | 70.0° | 90.2° |
| C27 | C5 | C7 | C9 | 180.0° | 166.9° |
| C5 | C27 | C25 | C24 | 176.3° | 172.4° |
| C5 | C27 | C25 | H47 | 120.9° | 121.9° |
| C5 | C27 | C25 | C26 | 48.4° | 67.6° |
| C27 | C5 | C2 | H3 | 77.8° | 60.7° |
| C27 | C5 | C2 | H4 | 41.4° | 60.8° |
| C5 | C27 | C3 | H6 | 100.2° | 116.0° |
| C5 | C27 | C3 | H5 | 139.1° | 122.5° |
| C27 | C5 | C6 | H9 | 49.1° | 172.5° |
| C27 | C5 | C6 | H10 | 70.9° | 52.5° |
| C27 | C5 | C6 | H11 | 169.2° | 67.5° |
| C5 | C27 | C25 | H43 | 68.3° | 52.4° |
| C27 | C5 | C7 | H12 | 62.5° | 72.5° |
| C6 | C5 | C7 | C9 | 63.8° | 47.8° |
| C6 | C5 | C27 | C25 | 51.2° | 29.2° |
| C6 | C5 | C2 | H3 | 49.4° | 171.9° |
| C6 | C5 | C2 | H4 | 168.7° | 66.5° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H12 | 178.7° | 168.3° |
| C6 | C5 | C27 | H47 | 172.1° | 151.1° |
| C7 | C9 | C8 | O3 | 154.7° | 177.1° |
| C7 | C9 | C8 | C28 | 122.5° | 116.3° |
| C7 | C9 | C8 | H15 | 117.2° | 121.5° |
| C7 | C9 | C28 | H15 | 115.0° | 122.4° |
| C7 | C9 | C28 | C15 | 173.6° | 168.0° |
| C9 | C7 | C1 | H1 | 47.1° | 81.9° |
| C9 | C7 | C1 | H2 | 74.8° | 41.3° |
| C7 | C9 | C8 | H13 | 35.4° | 55.8° |
| C7 | C9 | C8 | H14 | 86.0° | 61.6° |
| C7 | C9 | C28 | H48 | 54.6° | 72.8° |
| O3 | C8 | C9 | H13 | 119.3° | 121.3° |
| O3 | C8 | C9 | H14 | 119.3° | 121.3° |
| O3 | C8 | C9 | C28 | 82.7° | 60.8° |
| C8 | O3 | C17 | C14 | 2.3° | 87.1° |
| C8 | O3 | C17 | O4 | 178.0° | 91.8° |
| O3 | C8 | C9 | H15 | 37.5° | 61.4° |
| O3 | C8 | H13 | H14 | 121.9° | 117.6° |
| C8 | C9 | C28 | H15 | 120.5° | 122.6° |
| C8 | C9 | C28 | C15 | 49.0° | 77.0° |
| C9 | C8 | O3 | C17 | 74.4° | 77.6° |
| C9 | C8 | H13 | H14 | 121.9° | 117.6° |
| C8 | C9 | C7 | H12 | 72.3° | 56.1° |
| C8 | C9 | C28 | H48 | 69.9° | 42.2° |
| C9 | C28 | C15 | C10 | 159.4° | 132.6° |
| C9 | C28 | C15 | C14 | 39.2° | 88.9° |
| C9 | C28 | C15 | H48 | 118.9° | 118.4° |
| C9 | C28 | C15 | C16 | 81.4° | 23.8° |
| C9 | C28 | C4 | H8 | 63.7° | 73.0° |
| C9 | C28 | C4 | H7 | 177.8° | 169.8° |
| C28 | C9 | C8 | H13 | 157.9° | 60.5° |
| C28 | C9 | C8 | H14 | 36.6° | 177.9° |
| C28 | C9 | C7 | H12 | 55.0° | 59.6° |
| C15 | C10 | C12 | H16 | 120.8° | 119.7° |
| C15 | C10 | C12 | H17 | 120.8° | 119.8° |
| C10 | C15 | C14 | C11 | 39.1° | 60.6° |
| C15 | C10 | C12 | C13 | 63.9° | 57.7° |
| C15 | C10 | C12 | O1 | 58.0° | 177.8° |
| C10 | C15 | C14 | C17 | 163.3° | 176.2° |
| C10 | C15 | C14 | C28 | 123.1° | 139.6° |
| C10 | C15 | C14 | C16 | 115.3° | 107.6° |
| C10 | C15 | C28 | C16 | 119.2° | 108.8° |
| C10 | C15 | C16 | H26 | 180.0° | 62.8° |
| C10 | C15 | C16 | H27 | 60.0° | 57.3° |
| C10 | C15 | C16 | H25 | 60.0° | 177.2° |
| C15 | C10 | H16 | H17 | 117.5° | 120.5° |
| C15 | C10 | C12 | H20 | 177.0° | 62.6° |
| C10 | C15 | C14 | H24 | 78.3° | 57.6° |
| C10 | C15 | C28 | H48 | 40.4° | 109.0° |
| C10 | C12 | C13 | C11 | 34.8° | 59.9° |
| C10 | C12 | C13 | O1 | 120.2° | 120.1° |
| C10 | C12 | C13 | H20 | 119.0° | 120.2° |
| C10 | C12 | O1 | H20 | 118.2° | 119.7° |
| C10 | C12 | C13 | O2 | 156.7° | 60.6° |
| C12 | C10 | C15 | C14 | 23.3° | 58.5° |
| C12 | C10 | C15 | C28 | 99.8° | 158.9° |
| C12 | C10 | C15 | C16 | 139.3° | 49.5° |
| C12 | C10 | H16 | H17 | 117.5° | 120.5° |
| C10 | C12 | C13 | H22 | 84.3° | 179.8° |
| C10 | C12 | O1 | H21 | 180.0° | 180.0° |
| C14 | C11 | C13 | H19 | 120.3° | 119.4° |
| C14 | C11 | C13 | H18 | 120.3° | 119.7° |
| C14 | C11 | C13 | C12 | 26.0° | 59.4° |
| C14 | C11 | C13 | O2 | 94.7° | 61.2° |
| C11 | C14 | C17 | C15 | 125.1° | 122.9° |
| C11 | C14 | C17 | H24 | 116.8° | 118.4° |
| C11 | C14 | C15 | H24 | 117.4° | 118.2° |
| C11 | C14 | C15 | C28 | 162.1° | 159.8° |
| C11 | C14 | C15 | C16 | 76.3° | 46.9° |
| C11 | C14 | C17 | O3 | 156.8° | 84.3° |
| C11 | C14 | C17 | O4 | 22.8° | 96.9° |
| C14 | C11 | H19 | H18 | 119.2° | 120.6° |
| C14 | C11 | C13 | H22 | 145.2° | 179.1° |
| C11 | C13 | C12 | O2 | 121.9° | 120.5° |
| C11 | C13 | C12 | H22 | 119.2° | 119.9° |
| C11 | C13 | C12 | O1 | 85.3° | 180.0° |
| C11 | C13 | O2 | H22 | 119.4° | 119.7° |
| C13 | C11 | C14 | C17 | 166.4° | 177.5° |
| C13 | C11 | C14 | C15 | 67.7° | 59.7° |
| C11 | C13 | O2 | H23 | 180.0° | 180.0° |
| C13 | C11 | H19 | H18 | 119.2° | 121.2° |
| C11 | C13 | C12 | H20 | 153.9° | 60.3° |
| C13 | C11 | C14 | H24 | 49.6° | 58.8° |
| C13 | C12 | O1 | H20 | 120.1° | 119.7° |
| C12 | C13 | O2 | H22 | 118.3° | 119.4° |
| C12 | C13 | O2 | H23 | 57.7° | 59.1° |
| C13 | C12 | C10 | H16 | 56.9° | 177.4° |
| C13 | C12 | C10 | H17 | 175.3° | 62.1° |
| C12 | C13 | C11 | H19 | 146.3° | 59.9° |
| C12 | C13 | C11 | H18 | 94.2° | 179.2° |
| C13 | C12 | O1 | H21 | 58.3° | 59.4° |
| O1 | C12 | C13 | O2 | 36.5° | 59.6° |
| O1 | C12 | C10 | H16 | 178.8° | 62.5° |
| O1 | C12 | C10 | H17 | 62.8° | 58.0° |
| O1 | C12 | C13 | H22 | 155.5° | 60.0° |
| O2 | C13 | C11 | H19 | 25.6° | 179.4° |
| O2 | C13 | C11 | H18 | 145.0° | 58.5° |
| O2 | C13 | C12 | H20 | 84.3° | 179.2° |
| C17 | C14 | C15 | H24 | 118.4° | 118.6° |
| C17 | C14 | C15 | C28 | 73.6° | 36.6° |
| C17 | C14 | C15 | C16 | 48.0° | 76.2° |
| C14 | C17 | O3 | O4 | 179.7° | 178.9° |
| C17 | C14 | C11 | H19 | 46.2° | 63.2° |
| C17 | C14 | C11 | H18 | 73.3° | 57.4° |
| C14 | C15 | C28 | C16 | 120.6° | 112.7° |
| C15 | C14 | C17 | O3 | 78.0° | 38.6° |
| C15 | C14 | C17 | O4 | 102.3° | 140.3° |
| C14 | C15 | C16 | H26 | 64.9° | 177.9° |
| C14 | C15 | C16 | H27 | 175.1° | 57.9° |
| C14 | C15 | C16 | H25 | 55.1° | 62.1° |
| C14 | C15 | C10 | H16 | 97.6° | 178.2° |
| C14 | C15 | C10 | H17 | 144.1° | 61.2° |
| C15 | C14 | C11 | H19 | 172.1° | 59.6° |
| C15 | C14 | C11 | H18 | 52.6° | 179.8° |
| C14 | C15 | C28 | H48 | 79.7° | 29.5° |
| C15 | C28 | C4 | H8 | 71.9° | 48.3° |
| C15 | C28 | C4 | H7 | 46.6° | 68.9° |
| C28 | C15 | C16 | H26 | 57.9° | 55.7° |
| C28 | C15 | C16 | H27 | 62.1° | 175.8° |
| C28 | C15 | C16 | H25 | 177.9° | 64.2° |
| C15 | C28 | C9 | H15 | 71.4° | 45.7° |
| C28 | C15 | C10 | H16 | 139.4° | 39.3° |
| C28 | C15 | C10 | H17 | 21.0° | 81.3° |
| C28 | C15 | C14 | H24 | 44.7° | 82.0° |
| C15 | C16 | H26 | H27 | 120.0° | 120.0° |
| C15 | C16 | H26 | H25 | 120.0° | 119.9° |
| C15 | C16 | H27 | H25 | 120.0° | 119.9° |
| C16 | C15 | C10 | H16 | 18.5° | 70.1° |
| C16 | C15 | C10 | H17 | 99.9° | 169.3° |
| C16 | C15 | C14 | H24 | 166.3° | 165.2° |
| C16 | C15 | C28 | H48 | 159.6° | 142.2° |
| C17 | O3 | C8 | H13 | 166.2° | 43.6° |
| C17 | O3 | C8 | H14 | 44.9° | 161.1° |
| O3 | C17 | C14 | H24 | 40.1° | 157.3° |
| O4 | C17 | C14 | H24 | 139.6° | 21.6° |
| C18 | C19 | C21 | C20 | 123.8° | 120.0° |
| C18 | C19 | C21 | H31 | 118.0° | 120.0° |
| C18 | C19 | C20 | H31 | 116.2° | 120.0° |
| C18 | C19 | C21 | C23 | 170.7° | 174.3° |
| C18 | C19 | C21 | C22 | 45.4° | 65.6° |
| C19 | C18 | H30 | H28 | 120.0° | 120.0° |
| C19 | C18 | H30 | H29 | 120.0° | 120.0° |
| C19 | C18 | H28 | H29 | 120.0° | 120.0° |
| C18 | C19 | C21 | H35 | 73.0° | 54.3° |
| C18 | C19 | C20 | H33 | 180.0° | 180.0° |
| C18 | C19 | C20 | H34 | 60.0° | 60.0° |
| C18 | C19 | C20 | H32 | 60.0° | 60.0° |
| C21 | C19 | C20 | H31 | 118.0° | 120.0° |
| C19 | C21 | C23 | C22 | 125.5° | 120.0° |
| C19 | C21 | C23 | H35 | 115.9° | 120.0° |
| C19 | C21 | C22 | H35 | 118.0° | 119.9° |
| C19 | C21 | C23 | C24 | 129.1° | 179.0° |
| C19 | C21 | C23 | O5 | 108.7° | 60.9° |
| C21 | C19 | C18 | H30 | 180.0° | 64.1° |
| C21 | C19 | C18 | H28 | 60.0° | 175.9° |
| C21 | C19 | C18 | H29 | 60.0° | 55.9° |
| C19 | C21 | C23 | H39 | 6.1° | 59.0° |
| C19 | C21 | C22 | H37 | 180.0° | 180.0° |
| C19 | C21 | C22 | H38 | 60.0° | 60.0° |
| C19 | C21 | C22 | H36 | 60.0° | 60.1° |
| C21 | C19 | C20 | H33 | 54.2° | 60.0° |
| C21 | C19 | C20 | H34 | 174.2° | 60.0° |
| C21 | C19 | C20 | H32 | 65.9° | 180.0° |
| C20 | C19 | C21 | C23 | 65.5° | 65.7° |
| C20 | C19 | C21 | C22 | 169.2° | 54.4° |
| C20 | C19 | C18 | H30 | 53.9° | 175.9° |
| C20 | C19 | C18 | H28 | 173.9° | 55.9° |
| C20 | C19 | C18 | H29 | 66.1° | 64.0° |
| C20 | C19 | C21 | H35 | 50.7° | 174.3° |
| C19 | C20 | H33 | H34 | 120.0° | 120.0° |
| C19 | C20 | H33 | H32 | 120.0° | 119.9° |
| C19 | C20 | H34 | H32 | 120.0° | 120.0° |
| C23 | C21 | C22 | H35 | 118.4° | 120.0° |
| C21 | C23 | C24 | O5 | 123.4° | 120.0° |
| C21 | C23 | C24 | H39 | 123.0° | 120.0° |
| C21 | C23 | O5 | H39 | 114.3° | 120.0° |
| C21 | C23 | C24 | C25 | 74.3° | 179.7° |
| C21 | C23 | C24 | O6 | 162.8° | 60.3° |
| C21 | C23 | C24 | H41 | 45.6° | 59.6° |
| C23 | C21 | C22 | H37 | 56.4° | 60.0° |
| C23 | C21 | C22 | H38 | 176.4° | 179.9° |
| C23 | C21 | C22 | H36 | 63.6° | 60.0° |
| C23 | C21 | C19 | H31 | 52.7° | 54.3° |
| C21 | C23 | O5 | H40 | 180.0° | 60.0° |
| C22 | C21 | C23 | C24 | 3.6° | 59.0° |
| C22 | C21 | C23 | O5 | 125.8° | 179.1° |
| C22 | C21 | C23 | H39 | 119.4° | 61.0° |
| C21 | C22 | H37 | H38 | 120.0° | 120.0° |
| C21 | C22 | H37 | H36 | 120.0° | 119.9° |
| C21 | C22 | H38 | H36 | 120.0° | 120.0° |
| C22 | C21 | C19 | H31 | 72.6° | 174.4° |
| C24 | C23 | O5 | H39 | 113.0° | 120.0° |
| C23 | C24 | C25 | O6 | 123.2° | 120.0° |
| C23 | C24 | C25 | H41 | 119.8° | 120.0° |
| C23 | C24 | O6 | H41 | 116.5° | 120.0° |
| C23 | C24 | C25 | C27 | 176.2° | 175.1° |
| C23 | C24 | C25 | C26 | 49.5° | 64.9° |
| C23 | C24 | C25 | H43 | 68.6° | 55.1° |
| C24 | C23 | C21 | H35 | 115.0° | 61.0° |
| C24 | C23 | O5 | H40 | 47.2° | 60.0° |
| C23 | C24 | O6 | H42 | 180.0° | 60.1° |
| O5 | C23 | C24 | C25 | 162.3° | 60.3° |
| O5 | C23 | C24 | O6 | 39.4° | 59.7° |
| O5 | C23 | C24 | H41 | 77.8° | 179.7° |
| O5 | C23 | C21 | H35 | 7.2° | 59.0° |
| C25 | C24 | O6 | H41 | 116.2° | 120.0° |
| C24 | C25 | C27 | C26 | 127.9° | 120.0° |
| C24 | C25 | C27 | H43 | 115.3° | 120.0° |
| C24 | C25 | C26 | H43 | 118.0° | 120.0° |
| C25 | C24 | C23 | H39 | 48.8° | 59.7° |
| C24 | C25 | C26 | H44 | 180.0° | 51.8° |
| C24 | C25 | C26 | H45 | 60.0° | 171.8° |
| C24 | C25 | C26 | H46 | 60.0° | 68.3° |
| C24 | C25 | C27 | H47 | 55.5° | 65.6° |
| C25 | C24 | O6 | H42 | 52.7° | 60.0° |
| O6 | C24 | C25 | C27 | 53.0° | 64.9° |
| O6 | C24 | C25 | C26 | 73.7° | 55.1° |
| O6 | C24 | C25 | H43 | 168.2° | 175.1° |
| O6 | C24 | C23 | H39 | 74.1° | 179.7° |
| C27 | C25 | C26 | H43 | 116.5° | 120.0° |
| C25 | C27 | C3 | H6 | 32.5° | 3.0° |
| C25 | C27 | C3 | H5 | 88.2° | 118.5° |
| C27 | C25 | C24 | H41 | 63.9° | 55.1° |
| C27 | C25 | C26 | H44 | 54.5° | 68.2° |
| C27 | C25 | C26 | H45 | 174.5° | 51.8° |
| C27 | C25 | C26 | H46 | 65.5° | 171.7° |
| C26 | C25 | C24 | H41 | 169.4° | 175.1° |
| C25 | C26 | H44 | H45 | 120.0° | 120.0° |
| C25 | C26 | H44 | H46 | 120.0° | 120.0° |
| C25 | C26 | H45 | H46 | 120.0° | 119.9° |
| C26 | C25 | C27 | H47 | 72.4° | 54.3° |
| H1 | C1 | C3 | H6 | 11.4° | 98.7° |
| H1 | C1 | C3 | H5 | 132.1° | 22.9° |
| H1 | C1 | C7 | H12 | 166.8° | 43.3° |
| H2 | C1 | C3 | H6 | 110.5° | 24.6° |
| H2 | C1 | C3 | H5 | 10.3° | 146.2° |
| H2 | C1 | C7 | H12 | 45.0° | 166.6° |
| H3 | C2 | C4 | H8 | 54.9° | 177.5° |
| H3 | C2 | C4 | H7 | 63.6° | 59.9° |
| H4 | C2 | C4 | H8 | 174.2° | 56.1° |
| H4 | C2 | C4 | H7 | 55.7° | 61.5° |
| H6 | C3 | C27 | H47 | 148.5° | 125.0° |
| H5 | C3 | C27 | H47 | 27.8° | 3.5° |
| H8 | C4 | C28 | H48 | 175.4° | 166.9° |
| H7 | C4 | C28 | H48 | 66.1° | 49.7° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| H26 | C16 | H27 | H25 | 120.0° | 120.0° |
| H30 | C18 | H28 | H29 | 120.0° | 120.0° |
| H30 | C18 | C19 | H31 | 62.3° | 55.9° |
| H28 | C18 | C19 | H31 | 57.7° | 64.1° |
| H29 | C18 | C19 | H31 | 177.7° | 175.9° |
| H41 | C24 | C25 | H43 | 51.3° | 64.9° |
| H41 | C24 | C23 | H39 | 168.6° | 60.4° |
| H41 | C24 | O6 | H42 | 63.5° | 180.0° |
| H43 | C25 | C26 | H44 | 62.0° | 171.8° |
| H43 | C25 | C26 | H45 | 58.0° | 68.2° |
| H43 | C25 | C26 | H46 | 178.0° | 51.7° |
| H43 | C25 | C27 | H47 | 170.8° | 174.4° |
| H23 | O2 | C13 | H22 | 60.6° | 60.3° |
| H15 | C9 | C8 | H13 | 81.8° | 177.4° |
| H15 | C9 | C8 | H14 | 156.8° | 59.9° |
| H15 | C9 | C7 | H12 | 170.2° | 178.1° |
| H15 | C9 | C28 | H48 | 169.7° | 164.8° |
| H16 | C10 | C12 | H20 | 62.2° | 57.1° |
| H17 | C10 | C12 | H20 | 56.2° | 177.6° |
| H19 | C11 | C13 | H22 | 94.5° | 59.8° |
| H19 | C11 | C14 | H24 | 70.7° | 178.2° |
| H18 | C11 | C13 | H22 | 25.0° | 61.1° |
| H18 | C11 | C14 | H24 | 169.8° | 61.2° |
| H20 | C12 | C13 | H22 | 34.7° | 59.6° |
| H20 | C12 | O1 | H21 | 61.8° | 60.4° |
| H39 | C23 | C21 | H35 | 122.0° | 179.0° |
| H39 | C23 | O5 | H40 | 65.7° | 180.0° |
| H37 | C22 | H38 | H36 | 120.0° | 120.0° |
| H37 | C22 | C21 | H35 | 62.0° | 60.0° |
| H38 | C22 | C21 | H35 | 58.0° | 59.9° |
| H36 | C22 | C21 | H35 | 178.0° | 180.0° |
| H35 | C21 | C19 | H31 | 168.9° | 65.7° |
| H33 | C20 | H34 | H32 | 120.0° | 120.0° |
| H33 | C20 | C19 | H31 | 63.8° | 60.0° |
| H34 | C20 | C19 | H31 | 56.2° | 179.9° |
| H32 | C20 | C19 | H31 | 176.2° | 60.0° |
| H44 | C26 | H45 | H46 | 120.0° | 120.1° |
