D7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.21Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.56Å | |
| C5 | C10 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C10 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.52Å | 1.55Å | |
| C6 | C7 | sing | 1.50Å | 1.50Å | |
| C9 | C8 | sing | 1.50Å | 1.56Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | doub | 1.30Å | 1.35Å | |
| C8 | C14 | sing | 1.50Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.56Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.56Å | 1.52Å | |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.52Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.54Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| O2 | C27 | doub | 1.21Å | 1.29Å | |
| C25 | C27 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | O3 | sing | 1.34Å | 1.26Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 123.3° | 121.0° |
| O1 | C3 | C4 | 120.7° | 121.4° |
| C2 | C3 | C4 | 115.9° | 117.6° |
| C3 | C2 | C1 | 110.0° | 107.7° |
| C3 | C2 | H41 | 109.3° | 109.8° |
| C3 | C2 | H42 | 109.3° | 109.8° |
| C3 | C4 | C5 | 111.4° | 109.2° |
| C3 | C4 | H39 | 109.0° | 109.5° |
| C3 | C4 | H40 | 109.0° | 109.6° |
| C2 | C1 | C10 | 114.0° | 109.9° |
| C2 | C1 | H33 | 108.4° | 109.4° |
| C2 | C1 | H34 | 108.3° | 109.3° |
| C1 | C2 | H41 | 109.3° | 110.7° |
| C1 | C2 | H42 | 109.3° | 109.0° |
| C4 | C5 | C10 | 115.1° | 109.9° |
| C4 | C5 | C6 | 113.2° | 108.0° |
| C4 | C5 | H38 | 105.4° | 110.4° |
| C5 | C4 | H39 | 109.0° | 109.5° |
| C5 | C4 | H40 | 109.0° | 109.5° |
| C1 | C10 | C5 | 107.1° | 110.1° |
| C1 | C10 | C19 | 111.5° | 109.2° |
| C1 | C10 | C9 | 109.0° | 108.5° |
| C10 | C1 | H33 | 108.3° | 109.4° |
| C10 | C1 | H34 | 108.3° | 109.4° |
| C10 | C5 | C6 | 111.2° | 108.9° |
| C5 | C10 | C19 | 108.3° | 108.5° |
| C5 | C10 | C9 | 109.5° | 111.2° |
| C10 | C5 | H38 | 105.5° | 110.0° |
| C5 | C6 | C7 | 114.5° | 109.7° |
| C5 | C6 | H23 | 108.2° | 109.5° |
| C5 | C6 | H24 | 108.2° | 109.4° |
| C6 | C5 | H38 | 105.4° | 109.6° |
| C19 | C10 | C9 | 111.3° | 109.3° |
| C10 | C19 | H35 | 109.5° | 109.4° |
| C10 | C19 | H36 | 109.5° | 109.5° |
| C10 | C19 | H37 | 109.4° | 109.4° |
| C10 | C9 | C8 | 115.5° | 113.4° |
| C10 | C9 | C11 | 115.8° | 110.9° |
| C10 | C9 | H32 | 104.9° | 106.7° |
| C6 | C7 | C8 | 121.4° | 122.9° |
| C6 | C7 | H22 | 119.3° | 118.5° |
| C7 | C6 | H23 | 108.2° | 109.5° |
| C7 | C6 | H24 | 108.2° | 109.4° |
| C8 | C9 | C11 | 109.6° | 112.1° |
| C9 | C8 | C7 | 121.7° | 124.1° |
| C9 | C8 | C14 | 113.9° | 115.4° |
| C8 | C9 | H32 | 104.8° | 107.2° |
| C9 | C11 | C12 | 116.8° | 112.0° |
| C9 | C11 | H30 | 107.6° | 108.0° |
| C9 | C11 | H31 | 107.6° | 109.6° |
| C11 | C9 | H32 | 104.9° | 106.1° |
| C7 | C8 | C14 | 124.2° | 120.5° |
| C8 | C7 | H22 | 119.3° | 118.5° |
| C8 | C14 | C15 | 119.2° | 116.3° |
| C8 | C14 | C13 | 114.0° | 105.2° |
| C8 | C14 | H21 | 106.0° | 111.4° |
| C11 | C12 | C13 | 111.9° | 107.5° |
| C11 | C12 | H28 | 108.9° | 109.9° |
| C11 | C12 | H29 | 108.8° | 109.9° |
| C12 | C11 | H30 | 107.6° | 109.0° |
| C12 | C11 | H31 | 107.6° | 109.1° |
| C15 | C14 | C13 | 104.6° | 101.2° |
| C14 | C15 | C16 | 103.0° | 102.7° |
| C14 | C15 | H19 | 111.1° | 110.8° |
| C14 | C15 | H20 | 111.1° | 110.9° |
| C15 | C14 | H21 | 106.0° | 111.0° |
| C14 | C13 | C12 | 106.1° | 107.7° |
| C14 | C13 | C18 | 112.0° | 109.1° |
| C14 | C13 | C17 | 102.7° | 103.2° |
| C13 | C14 | H21 | 106.1° | 111.2° |
| C12 | C13 | C18 | 108.3° | 109.2° |
| C12 | C13 | C17 | 116.7° | 118.0° |
| C13 | C12 | H28 | 108.9° | 109.9° |
| C13 | C12 | H29 | 108.9° | 109.9° |
| C15 | C16 | C17 | 109.6° | 106.3° |
| C15 | C16 | H17 | 109.4° | 110.1° |
| C15 | C16 | H18 | 109.4° | 110.1° |
| C16 | C15 | H19 | 111.0° | 110.7° |
| C16 | C15 | H20 | 111.0° | 110.8° |
| C18 | C13 | C17 | 110.9° | 109.2° |
| C13 | C18 | H25 | 109.5° | 109.4° |
| C13 | C18 | H26 | 109.4° | 109.4° |
| C13 | C18 | H27 | 109.5° | 109.5° |
| C13 | C17 | C16 | 101.8° | 105.0° |
| C13 | C17 | C20 | 120.7° | 110.3° |
| C13 | C17 | H16 | 106.9° | 110.4° |
| C16 | C17 | C20 | 112.7° | 110.4° |
| C16 | C17 | H16 | 106.9° | 110.4° |
| C17 | C16 | H17 | 109.4° | 110.1° |
| C17 | C16 | H18 | 109.4° | 110.1° |
| C17 | C20 | C21 | 112.7° | 109.5° |
| C17 | C20 | C22 | 111.7° | 109.4° |
| C17 | C20 | H12 | 107.2° | 109.5° |
| C20 | C17 | H16 | 107.0° | 110.3° |
| C21 | C20 | C22 | 110.5° | 109.5° |
| C21 | C20 | H12 | 107.2° | 109.5° |
| C20 | C21 | H13 | 109.5° | 109.5° |
| C20 | C21 | H14 | 109.5° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C22 | C23 | 114.2° | 109.4° |
| C20 | C22 | H10 | 108.3° | 109.5° |
| C20 | C22 | H11 | 108.3° | 109.5° |
| C22 | C20 | H12 | 107.2° | 109.5° |
| C22 | C23 | C24 | 111.7° | 109.4° |
| C22 | C23 | H8 | 108.9° | 109.5° |
| C22 | C23 | H9 | 108.9° | 109.5° |
| C23 | C22 | H10 | 108.3° | 109.5° |
| C23 | C22 | H11 | 108.3° | 109.4° |
| C23 | C24 | C25 | 111.3° | 109.5° |
| C23 | C24 | H6 | 109.0° | 109.5° |
| C23 | C24 | H7 | 109.0° | 109.5° |
| C24 | C23 | H8 | 108.9° | 109.5° |
| C24 | C23 | H9 | 108.9° | 109.5° |
| C24 | C25 | C27 | 113.0° | 109.5° |
| C24 | C25 | C26 | 108.7° | 109.5° |
| C24 | C25 | H2 | 108.7° | 109.4° |
| C25 | C24 | H6 | 109.0° | 109.5° |
| C25 | C24 | H7 | 109.0° | 109.5° |
| O2 | C27 | C25 | 120.9° | 120.0° |
| O2 | C27 | O3 | 119.3° | 120.0° |
| C27 | C25 | C26 | 109.2° | 109.5° |
| C25 | C27 | O3 | 119.7° | 120.0° |
| C27 | C25 | H2 | 108.7° | 109.5° |
| C26 | C25 | H2 | 108.5° | 109.5° |
| C25 | C26 | H3 | 109.5° | 109.5° |
| C25 | C26 | H4 | 109.5° | 109.5° |
| C25 | C26 | H5 | 109.5° | 109.4° |
| C27 | O3 | H1 | 109.5° | 117.0° |
| H3 | C26 | H4 | 109.5° | 109.4° |
| H3 | C26 | H5 | 109.4° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H13 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 110.1° |
| H19 | C15 | H20 | 109.5° | 110.7° |
| H23 | C6 | H24 | 109.4° | 109.4° |
| H25 | C18 | H26 | 109.4° | 109.4° |
| H25 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.6° |
| H28 | C12 | H29 | 109.5° | 109.8° |
| H30 | C11 | H31 | 109.5° | 109.1° |
| H33 | C1 | H34 | 109.5° | 109.4° |
| H35 | C19 | H36 | 109.4° | 109.5° |
| H35 | C19 | H37 | 109.5° | 109.5° |
| H36 | C19 | H37 | 109.5° | 109.5° |
| H39 | C4 | H40 | 109.5° | 109.5° |
| H41 | C2 | H42 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | C4 | 177.7° | 179.0° |
| O1 | C3 | C2 | C1 | 131.9° | 127.4° |
| O1 | C3 | C4 | C5 | 134.6° | 128.7° |
| O1 | C3 | C4 | H39 | 105.1° | 8.8° |
| O1 | C3 | C4 | H40 | 14.3° | 111.4° |
| O1 | C3 | C2 | H41 | 11.9° | 111.9° |
| O1 | C3 | C2 | H42 | 108.0° | 8.8° |
| C3 | C2 | C1 | H41 | 120.1° | 120.0° |
| C3 | C2 | C1 | H42 | 120.1° | 119.1° |
| C2 | C3 | C4 | C5 | 47.7° | 52.3° |
| C3 | C2 | C1 | C10 | 55.5° | 56.3° |
| C3 | C2 | C1 | H33 | 65.2° | 176.4° |
| C3 | C2 | C1 | H34 | 176.1° | 63.9° |
| C2 | C3 | C4 | H39 | 72.6° | 172.3° |
| C2 | C3 | C4 | H40 | 168.0° | 67.6° |
| C3 | C2 | H41 | H42 | 119.8° | 120.8° |
| C4 | C3 | C2 | C1 | 50.4° | 53.6° |
| C3 | C4 | C5 | H39 | 120.3° | 119.9° |
| C3 | C4 | C5 | H40 | 120.3° | 120.0° |
| C3 | C4 | C5 | C10 | 50.0° | 53.3° |
| C3 | C4 | C5 | C6 | 179.5° | 172.0° |
| C3 | C4 | C5 | H38 | 65.8° | 68.2° |
| C3 | C4 | H39 | H40 | 119.1° | 120.2° |
| C4 | C3 | C2 | H41 | 170.4° | 67.0° |
| C4 | C3 | C2 | H42 | 69.7° | 172.2° |
| C2 | C1 | C10 | H33 | 120.7° | 120.1° |
| C2 | C1 | C10 | H34 | 120.6° | 120.1° |
| C2 | C1 | C10 | C5 | 56.5° | 62.9° |
| C2 | C1 | C10 | C19 | 61.8° | 56.2° |
| C2 | C1 | C10 | C9 | 174.9° | 175.2° |
| C2 | C1 | H33 | H34 | 118.0° | 119.7° |
| C1 | C2 | H41 | H42 | 119.7° | 120.5° |
| C4 | C5 | C10 | C1 | 53.6° | 60.8° |
| C4 | C5 | C10 | C6 | 130.4° | 118.2° |
| C4 | C5 | C10 | H38 | 115.8° | 121.8° |
| C4 | C5 | C6 | H38 | 114.8° | 120.4° |
| C4 | C5 | C10 | C19 | 66.9° | 58.7° |
| C4 | C5 | C10 | C9 | 171.6° | 178.9° |
| C4 | C5 | C6 | C7 | 178.9° | 174.2° |
| C4 | C5 | C6 | H23 | 60.4° | 65.7° |
| C4 | C5 | C6 | H24 | 58.1° | 54.2° |
| C5 | C4 | H39 | H40 | 119.1° | 120.1° |
| C1 | C10 | C5 | C19 | 120.4° | 119.5° |
| C1 | C10 | C5 | C9 | 118.0° | 120.3° |
| C1 | C10 | C5 | C6 | 176.1° | 178.9° |
| C1 | C10 | C19 | C9 | 121.9° | 118.6° |
| C1 | C10 | C9 | C8 | 155.2° | 156.7° |
| C1 | C10 | C9 | C11 | 74.7° | 76.2° |
| C1 | C10 | C9 | H32 | 40.4° | 38.9° |
| C10 | C1 | H33 | H34 | 117.9° | 119.8° |
| C1 | C10 | C19 | H35 | 180.0° | 58.6° |
| C1 | C10 | C19 | H36 | 60.0° | 61.5° |
| C1 | C10 | C19 | H37 | 60.0° | 178.5° |
| C1 | C10 | C5 | H38 | 62.2° | 61.0° |
| C10 | C1 | C2 | H41 | 175.5° | 63.7° |
| C10 | C1 | C2 | H42 | 64.6° | 175.4° |
| C10 | C5 | C6 | H38 | 113.8° | 120.3° |
| C5 | C10 | C19 | C9 | 120.4° | 121.4° |
| C10 | C5 | C6 | C7 | 49.8° | 54.9° |
| C5 | C10 | C9 | C8 | 38.4° | 35.4° |
| C5 | C10 | C9 | C11 | 168.4° | 162.6° |
| C10 | C5 | C6 | H23 | 71.0° | 175.0° |
| C10 | C5 | C6 | H24 | 170.5° | 65.1° |
| C5 | C10 | C9 | H32 | 76.5° | 82.3° |
| C5 | C10 | C1 | H33 | 64.1° | 177.0° |
| C5 | C10 | C1 | H34 | 177.2° | 57.2° |
| C5 | C10 | C19 | H35 | 62.4° | 178.6° |
| C5 | C10 | C19 | H36 | 177.6° | 58.6° |
| C5 | C10 | C19 | H37 | 57.6° | 61.4° |
| C10 | C5 | C4 | H39 | 70.2° | 173.2° |
| C10 | C5 | C4 | H40 | 170.3° | 66.7° |
| C6 | C5 | C10 | C19 | 63.5° | 59.4° |
| C6 | C5 | C10 | C9 | 58.0° | 60.8° |
| C5 | C6 | C7 | H23 | 120.8° | 120.1° |
| C5 | C6 | C7 | H24 | 120.7° | 120.0° |
| C5 | C6 | C7 | C8 | 19.8° | 26.5° |
| C5 | C6 | C7 | H22 | 160.2° | 153.5° |
| C5 | C6 | H23 | H24 | 117.7° | 119.8° |
| C6 | C5 | C4 | H39 | 59.2° | 68.1° |
| C6 | C5 | C4 | H40 | 60.2° | 52.0° |
| C19 | C10 | C9 | C8 | 81.4° | 84.3° |
| C19 | C10 | C9 | C11 | 48.7° | 42.8° |
| C19 | C10 | C9 | H32 | 163.8° | 157.9° |
| C19 | C10 | C1 | H33 | 177.5° | 64.0° |
| C19 | C10 | C1 | H34 | 58.9° | 176.3° |
| C10 | C19 | H35 | H36 | 120.0° | 120.0° |
| C10 | C19 | H35 | H37 | 120.0° | 120.0° |
| C10 | C19 | H36 | H37 | 120.0° | 120.0° |
| C19 | C10 | C5 | H38 | 177.3° | 179.5° |
| C10 | C9 | C8 | C11 | 133.0° | 126.5° |
| C10 | C9 | C8 | H32 | 114.9° | 117.5° |
| C10 | C9 | C11 | H32 | 115.1° | 115.5° |
| C10 | C9 | C8 | C7 | 9.6° | 5.5° |
| C10 | C9 | C8 | C14 | 175.7° | 174.8° |
| C10 | C9 | C11 | C12 | 175.5° | 173.9° |
| C10 | C9 | C11 | H30 | 63.5° | 53.9° |
| C10 | C9 | C11 | H31 | 54.4° | 64.9° |
| C9 | C10 | C1 | H33 | 54.2° | 55.1° |
| C9 | C10 | C1 | H34 | 64.4° | 64.7° |
| C9 | C10 | C19 | H35 | 58.0° | 60.0° |
| C9 | C10 | C19 | H36 | 61.9° | 180.0° |
| C9 | C10 | C19 | H37 | 178.1° | 60.0° |
| C9 | C10 | C5 | H38 | 55.8° | 59.3° |
| C6 | C7 | C8 | C9 | 0.4° | 1.2° |
| C6 | C7 | C8 | H22 | 180.0° | 180.0° |
| C6 | C7 | C8 | C14 | 173.7° | 179.2° |
| C7 | C6 | H23 | H24 | 117.7° | 119.9° |
| C7 | C6 | C5 | H38 | 64.1° | 65.4° |
| C8 | C9 | C11 | H32 | 112.1° | 116.6° |
| C9 | C8 | C7 | C14 | 174.1° | 179.6° |
| C8 | C9 | C11 | C12 | 42.6° | 46.0° |
| C9 | C8 | C14 | C15 | 180.0° | 168.6° |
| C9 | C8 | C14 | C13 | 55.7° | 57.6° |
| C9 | C8 | C14 | H21 | 60.6° | 62.9° |
| C9 | C8 | C7 | H22 | 179.6° | 178.8° |
| C8 | C9 | C11 | H30 | 163.6° | 74.0° |
| C8 | C9 | C11 | H31 | 78.5° | 167.2° |
| C11 | C9 | C8 | C7 | 142.6° | 132.1° |
| C11 | C9 | C8 | C14 | 42.7° | 48.3° |
| C9 | C11 | C12 | H30 | 121.1° | 119.5° |
| C9 | C11 | C12 | H31 | 121.1° | 121.5° |
| C9 | C11 | C12 | C13 | 53.1° | 57.0° |
| C9 | C11 | C12 | H28 | 67.3° | 176.6° |
| C9 | C11 | C12 | H29 | 173.4° | 62.5° |
| C9 | C11 | H30 | H31 | 116.7° | 119.1° |
| C7 | C8 | C14 | C15 | 5.4° | 11.7° |
| C7 | C8 | C14 | C13 | 129.8° | 122.7° |
| C7 | C8 | C14 | H21 | 113.9° | 116.7° |
| C8 | C7 | C6 | H23 | 101.0° | 146.6° |
| C8 | C7 | C6 | H24 | 140.5° | 93.5° |
| C7 | C8 | C9 | H32 | 105.3° | 112.0° |
| C8 | C14 | C15 | C13 | 128.8° | 113.3° |
| C8 | C14 | C15 | H21 | 119.3° | 128.7° |
| C8 | C14 | C13 | H21 | 116.3° | 120.7° |
| C8 | C14 | C13 | C12 | 61.4° | 67.4° |
| C8 | C14 | C15 | C16 | 161.5° | 155.7° |
| C8 | C14 | C13 | C18 | 56.6° | 51.1° |
| C8 | C14 | C13 | C17 | 175.7° | 167.1° |
| C8 | C14 | C15 | H19 | 42.5° | 86.1° |
| C8 | C14 | C15 | H20 | 79.6° | 37.3° |
| C14 | C8 | C7 | H22 | 6.2° | 0.9° |
| C14 | C8 | C9 | H32 | 69.4° | 67.7° |
| C11 | C12 | C13 | C14 | 58.4° | 68.4° |
| C11 | C12 | C13 | H28 | 120.4° | 119.5° |
| C11 | C12 | C13 | H29 | 120.4° | 119.6° |
| C11 | C12 | C13 | C18 | 62.0° | 50.1° |
| C11 | C12 | C13 | C17 | 172.0° | 175.4° |
| C11 | C12 | H28 | H29 | 118.9° | 121.0° |
| C12 | C11 | H30 | H31 | 116.7° | 119.0° |
| C12 | C11 | C9 | H32 | 69.5° | 70.6° |
| C15 | C14 | C13 | H21 | 111.8° | 117.9° |
| C15 | C14 | C13 | C12 | 166.8° | 171.2° |
| C14 | C15 | C16 | H19 | 119.0° | 118.3° |
| C14 | C15 | C16 | H20 | 119.0° | 118.5° |
| C15 | C14 | C13 | C18 | 75.2° | 70.4° |
| C15 | C14 | C13 | C17 | 43.8° | 45.7° |
| C14 | C15 | C16 | C17 | 9.6° | 24.3° |
| C14 | C15 | C16 | H17 | 129.6° | 95.0° |
| C14 | C15 | C16 | H18 | 110.4° | 143.4° |
| C14 | C15 | H19 | H20 | 123.0° | 123.5° |
| C14 | C13 | C12 | C18 | 120.4° | 118.4° |
| C14 | C13 | C12 | C17 | 113.6° | 116.2° |
| C13 | C14 | C15 | C16 | 32.7° | 42.4° |
| C14 | C13 | C18 | C17 | 114.1° | 112.2° |
| C14 | C13 | C17 | C16 | 36.0° | 30.3° |
| C14 | C13 | C17 | C20 | 161.7° | 149.2° |
| C14 | C13 | C17 | H16 | 75.9° | 88.6° |
| C13 | C14 | C15 | H19 | 86.3° | 160.6° |
| C13 | C14 | C15 | H20 | 151.6° | 76.0° |
| C14 | C13 | C18 | H25 | 180.0° | 58.6° |
| C14 | C13 | C18 | H26 | 60.0° | 178.5° |
| C14 | C13 | C18 | H27 | 60.0° | 61.4° |
| C14 | C13 | C12 | H28 | 62.0° | 172.1° |
| C14 | C13 | C12 | H29 | 178.8° | 51.2° |
| C12 | C13 | C18 | C17 | 129.3° | 130.3° |
| C12 | C13 | C17 | C16 | 151.5° | 148.9° |
| C12 | C13 | C17 | C20 | 82.8° | 92.2° |
| C12 | C13 | C17 | H16 | 39.6° | 30.0° |
| C12 | C13 | C14 | H21 | 54.9° | 53.3° |
| C12 | C13 | C18 | H25 | 63.4° | 176.1° |
| C12 | C13 | C18 | H26 | 56.6° | 64.0° |
| C12 | C13 | C18 | H27 | 176.6° | 56.1° |
| C13 | C12 | H28 | H29 | 118.9° | 121.0° |
| C13 | C12 | C11 | H30 | 174.1° | 62.5° |
| C13 | C12 | C11 | H31 | 68.0° | 178.6° |
| C15 | C16 | C17 | C13 | 16.5° | 4.0° |
| C15 | C16 | C17 | H17 | 120.0° | 119.3° |
| C15 | C16 | C17 | H18 | 120.0° | 119.2° |
| C15 | C16 | C17 | C20 | 147.2° | 122.8° |
| C15 | C16 | C17 | H16 | 95.5° | 115.0° |
| C15 | C16 | H17 | H18 | 119.9° | 121.6° |
| C16 | C15 | H19 | H20 | 123.0° | 123.2° |
| C16 | C15 | C14 | H21 | 79.2° | 75.6° |
| C18 | C13 | C17 | C16 | 83.8° | 85.7° |
| C18 | C13 | C17 | C20 | 41.9° | 33.2° |
| C18 | C13 | C17 | H16 | 164.3° | 155.4° |
| C18 | C13 | C14 | H21 | 172.9° | 171.8° |
| C13 | C18 | H25 | H26 | 120.0° | 119.9° |
| C13 | C18 | H25 | H27 | 120.0° | 120.0° |
| C13 | C18 | H26 | H27 | 120.0° | 120.0° |
| C18 | C13 | C12 | H28 | 177.7° | 69.5° |
| C18 | C13 | C12 | H29 | 58.4° | 169.6° |
| C13 | C17 | C16 | C20 | 130.7° | 118.9° |
| C13 | C17 | C16 | H16 | 111.9° | 119.0° |
| C13 | C17 | C20 | H16 | 122.4° | 122.2° |
| C13 | C17 | C20 | C21 | 55.7° | 63.0° |
| C13 | C17 | C20 | C22 | 179.2° | 177.1° |
| C13 | C17 | C20 | H12 | 62.0° | 57.1° |
| C13 | C17 | C16 | H17 | 103.6° | 123.2° |
| C13 | C17 | C16 | H18 | 136.5° | 115.2° |
| C17 | C13 | C14 | H21 | 68.0° | 72.2° |
| C17 | C13 | C18 | H25 | 65.9° | 53.6° |
| C17 | C13 | C18 | H26 | 174.1° | 66.3° |
| C17 | C13 | C18 | H27 | 54.1° | 173.6° |
| C17 | C13 | C12 | H28 | 51.7° | 55.9° |
| C17 | C13 | C12 | H29 | 67.6° | 65.0° |
| C16 | C17 | C20 | H16 | 117.3° | 122.2° |
| C16 | C17 | C20 | C21 | 176.1° | 178.6° |
| C16 | C17 | C20 | C22 | 58.8° | 61.5° |
| C16 | C17 | C20 | H12 | 58.3° | 58.5° |
| C17 | C16 | H17 | H18 | 119.9° | 121.5° |
| C17 | C16 | C15 | H19 | 109.4° | 142.5° |
| C17 | C16 | C15 | H20 | 128.5° | 94.2° |
| C17 | C20 | C21 | C22 | 125.8° | 119.9° |
| C17 | C20 | C21 | H12 | 117.8° | 120.0° |
| C17 | C20 | C22 | H12 | 117.2° | 120.0° |
| C17 | C20 | C22 | C23 | 175.6° | 175.0° |
| C17 | C20 | C22 | H10 | 55.0° | 65.0° |
| C17 | C20 | C22 | H11 | 63.6° | 55.0° |
| C17 | C20 | C21 | H13 | 180.0° | 60.0° |
| C17 | C20 | C21 | H14 | 60.0° | 180.0° |
| C17 | C20 | C21 | H15 | 60.0° | 60.0° |
| C20 | C17 | C16 | H17 | 27.2° | 117.9° |
| C20 | C17 | C16 | H18 | 92.8° | 3.6° |
| C21 | C20 | C22 | H12 | 116.5° | 120.0° |
| C21 | C20 | C22 | C23 | 58.0° | 65.0° |
| C21 | C20 | C22 | H10 | 178.7° | 55.0° |
| C21 | C20 | C22 | H11 | 62.7° | 175.0° |
| C20 | C21 | H13 | H14 | 120.0° | 120.0° |
| C20 | C21 | H13 | H15 | 120.0° | 120.0° |
| C20 | C21 | H14 | H15 | 120.0° | 120.0° |
| C21 | C20 | C17 | H16 | 66.7° | 59.2° |
| C20 | C22 | C23 | H10 | 120.7° | 120.0° |
| C20 | C22 | C23 | H11 | 120.7° | 120.0° |
| C20 | C22 | C23 | C24 | 67.9° | 180.0° |
| C20 | C22 | C23 | H8 | 171.8° | 60.0° |
| C20 | C22 | C23 | H9 | 52.4° | 60.0° |
| C20 | C22 | H10 | H11 | 117.9° | 120.0° |
| C22 | C20 | C21 | H13 | 54.2° | 180.0° |
| C22 | C20 | C21 | H14 | 65.8° | 60.0° |
| C22 | C20 | C21 | H15 | 174.2° | 60.0° |
| C22 | C20 | C17 | H16 | 58.4° | 60.8° |
| C22 | C23 | C24 | H8 | 120.4° | 120.0° |
| C22 | C23 | C24 | H9 | 120.3° | 120.0° |
| C22 | C23 | C24 | C25 | 175.3° | 180.0° |
| C22 | C23 | C24 | H6 | 64.4° | 60.0° |
| C22 | C23 | C24 | H7 | 55.0° | 60.0° |
| C22 | C23 | H8 | H9 | 119.0° | 120.0° |
| C23 | C22 | H10 | H11 | 117.8° | 120.0° |
| C23 | C22 | C20 | H12 | 58.5° | 55.0° |
| C23 | C24 | C25 | H6 | 120.3° | 120.0° |
| C23 | C24 | C25 | H7 | 120.3° | 120.0° |
| C23 | C24 | C25 | C27 | 61.4° | 175.0° |
| C23 | C24 | C25 | C26 | 177.2° | 65.0° |
| C23 | C24 | C25 | H2 | 59.3° | 55.0° |
| C23 | C24 | H6 | H7 | 119.2° | 120.0° |
| C24 | C23 | H8 | H9 | 119.0° | 120.0° |
| C24 | C23 | C22 | H10 | 52.8° | 60.0° |
| C24 | C23 | C22 | H11 | 171.4° | 60.0° |
| C24 | C25 | C27 | O2 | 55.1° | 0.1° |
| C24 | C25 | C27 | C26 | 121.1° | 120.0° |
| C24 | C25 | C27 | H2 | 120.7° | 119.9° |
| C24 | C25 | C26 | H2 | 118.0° | 119.9° |
| C24 | C25 | C27 | O3 | 124.1° | 180.0° |
| C24 | C25 | C26 | H3 | 180.0° | 60.0° |
| C24 | C25 | C26 | H4 | 60.0° | 179.9° |
| C24 | C25 | C26 | H5 | 60.0° | 60.0° |
| C25 | C24 | H6 | H7 | 119.2° | 120.0° |
| C25 | C24 | C23 | H8 | 54.9° | 60.0° |
| C25 | C24 | C23 | H9 | 64.4° | 60.0° |
| O2 | C27 | C25 | O3 | 179.1° | 179.9° |
| O2 | C27 | C25 | C26 | 66.0° | 120.0° |
| O2 | C27 | O3 | H1 | 0.0° | 0.0° |
| O2 | C27 | C25 | H2 | 175.8° | 120.0° |
| C27 | C25 | C26 | H2 | 118.3° | 120.0° |
| C25 | C27 | O3 | H1 | 179.1° | 179.9° |
| C27 | C25 | C26 | H3 | 56.4° | 179.9° |
| C27 | C25 | C26 | H4 | 63.6° | 60.0° |
| C27 | C25 | C26 | H5 | 176.3° | 60.0° |
| C27 | C25 | C24 | H6 | 58.9° | 65.0° |
| C27 | C25 | C24 | H7 | 178.3° | 55.0° |
| C26 | C25 | C27 | O3 | 114.9° | 59.9° |
| C25 | C26 | H3 | H4 | 120.0° | 119.9° |
| C25 | C26 | H3 | H5 | 120.0° | 120.0° |
| C25 | C26 | H4 | H5 | 120.0° | 120.0° |
| C26 | C25 | C24 | H6 | 62.5° | 55.0° |
| C26 | C25 | C24 | H7 | 57.0° | 175.1° |
| O3 | C27 | C25 | H2 | 3.3° | 60.1° |
| H2 | C25 | C26 | H3 | 61.9° | 59.9° |
| H2 | C25 | C26 | H4 | 178.1° | 60.0° |
| H2 | C25 | C26 | H5 | 58.0° | 179.9° |
| H2 | C25 | C24 | H6 | 179.6° | 175.0° |
| H2 | C25 | C24 | H7 | 61.0° | 65.0° |
| H3 | C26 | H4 | H5 | 120.0° | 120.1° |
| H6 | C24 | C23 | H8 | 175.2° | 180.0° |
| H6 | C24 | C23 | H9 | 55.9° | 60.0° |
| H7 | C24 | C23 | H8 | 65.3° | 60.0° |
| H7 | C24 | C23 | H9 | 175.4° | 180.0° |
| H8 | C23 | C22 | H10 | 67.5° | 180.0° |
| H8 | C23 | C22 | H11 | 51.1° | 60.0° |
| H9 | C23 | C22 | H10 | 173.2° | 60.0° |
| H9 | C23 | C22 | H11 | 68.3° | 180.0° |
| H10 | C22 | C20 | H12 | 62.2° | 175.0° |
| H11 | C22 | C20 | H12 | 179.2° | 64.9° |
| H12 | C20 | C21 | H13 | 62.2° | 60.0° |
| H12 | C20 | C21 | H14 | 177.8° | 60.0° |
| H12 | C20 | C21 | H15 | 57.8° | 180.0° |
| H12 | C20 | C17 | H16 | 175.6° | 179.3° |
| H13 | C21 | H14 | H15 | 119.9° | 120.0° |
| H16 | C17 | C16 | H17 | 144.5° | 4.3° |
| H16 | C17 | C16 | H18 | 24.5° | 125.8° |
| H17 | C16 | C15 | H19 | 10.6° | 23.3° |
| H17 | C16 | C15 | H20 | 111.4° | 146.5° |
| H18 | C16 | C15 | H19 | 130.6° | 98.3° |
| H18 | C16 | C15 | H20 | 8.5° | 24.9° |
| H19 | C15 | C14 | H21 | 161.9° | 42.6° |
| H20 | C15 | C14 | H21 | 39.7° | 166.0° |
| H22 | C7 | C6 | H23 | 79.1° | 33.4° |
| H22 | C7 | C6 | H24 | 39.4° | 86.5° |
| H23 | C6 | C5 | H38 | 175.2° | 54.7° |
| H24 | C6 | C5 | H38 | 56.7° | 174.6° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H28 | C12 | C11 | H30 | 53.7° | 57.1° |
| H28 | C12 | C11 | H31 | 171.6° | 61.9° |
| H29 | C12 | C11 | H30 | 65.5° | 178.0° |
| H29 | C12 | C11 | H31 | 52.4° | 59.0° |
| H30 | C11 | C9 | H32 | 51.6° | 169.4° |
| H31 | C11 | C9 | H32 | 169.5° | 50.6° |
| H33 | C1 | C2 | H41 | 54.9° | 56.4° |
| H33 | C1 | C2 | H42 | 174.7° | 64.5° |
| H34 | C1 | C2 | H41 | 63.8° | 176.1° |
| H34 | C1 | C2 | H42 | 56.0° | 55.2° |
| H35 | C19 | H36 | H37 | 120.0° | 120.0° |
| H38 | C5 | C4 | H39 | 173.9° | 51.7° |
| H38 | C5 | C4 | H40 | 54.5° | 171.8° |
