7BS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.31Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O37 | C30 | sing | 1.43Å | 1.45Å | |
| C72 | O71 | sing | 1.43Å | 1.45Å | |
| C3 | C1 | sing | 1.51Å | 1.52Å | |
| O71 | C31 | sing | 1.43Å | 1.45Å | |
| C1 | C4 | doub | 1.31Å | 1.35Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C35 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C4 | C8 | sing | 1.51Å | 1.51Å | |
| C35 | C38 | sing | 1.53Å | 1.56Å | |
| C35 | O34 | sing | 1.43Å | 1.45Å | |
| C38 | O39 | sing | 1.43Å | 1.44Å | |
| O28 | C26 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | O25 | sing | 1.45Å | 1.44Å | |
| O36 | C32 | sing | 1.43Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C33 | O34 | sing | 1.43Å | 1.44Å | |
| C33 | O29 | sing | 1.43Å | 1.45Å | |
| C10 | C11 | doub | 1.33Å | 1.34Å | |
| C26 | O25 | sing | 1.34Å | 1.34Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| O29 | C24 | sing | 1.43Å | 1.45Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C27 | C24 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | doub | 1.33Å | 1.34Å | |
| C24 | C23 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | doub | 1.31Å | 1.33Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C19 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | doub | 1.31Å | 1.35Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | C20 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C20 | O67 | sing | 1.43Å | 1.44Å | |
| O67 | C68 | sing | 1.43Å | 1.42Å | |
| C68 | H1 | sing | 1.09Å | 1.10Å | |
| C68 | H2 | sing | 1.09Å | 1.10Å | |
| C68 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C33 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| O36 | H12 | sing | 0.97Å | 0.95Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C72 | H14 | sing | 1.09Å | 1.10Å | |
| C72 | H15 | sing | 1.09Å | 1.10Å | |
| C72 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| O37 | H18 | sing | 0.97Å | 0.95Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| O39 | H22 | sing | 0.97Å | 0.95Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C12 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.08Å | 1.08Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| C16 | H38 | sing | 1.08Å | 1.08Å | |
| C18 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.08Å | 1.08Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C2 | H46 | sing | 1.09Å | 1.10Å | |
| C2 | H47 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.08Å | 1.08Å | |
| C6 | H49 | sing | 1.08Å | 1.08Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H52 | sing | 1.09Å | 1.10Å | |
| C21 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 121.4° | 120.0° |
| C6 | C5 | C2 | 123.3° | 120.0° |
| C6 | C5 | H48 | 118.3° | 120.0° |
| C5 | C6 | H49 | 119.3° | 120.0° |
| C7 | C6 | H49 | 119.3° | 120.0° |
| C6 | C7 | H50 | 109.5° | 109.4° |
| C6 | C7 | H51 | 109.5° | 109.5° |
| C6 | C7 | H52 | 109.5° | 109.5° |
| C5 | C2 | C1 | 123.8° | 109.5° |
| C5 | C2 | H46 | 105.8° | 109.5° |
| C5 | C2 | H47 | 105.8° | 109.5° |
| C2 | C5 | H48 | 118.3° | 120.0° |
| C2 | C1 | C3 | 111.1° | 120.1° |
| C2 | C1 | C4 | 130.3° | 120.0° |
| C1 | C2 | H46 | 105.8° | 109.4° |
| C1 | C2 | H47 | 105.8° | 109.5° |
| O37 | C30 | C31 | 108.6° | 109.5° |
| O37 | C30 | C35 | 108.5° | 109.5° |
| O37 | C30 | H17 | 110.3° | 109.6° |
| C30 | O37 | H18 | 109.5° | 114.0° |
| C72 | O71 | C31 | 116.6° | 114.0° |
| O71 | C72 | H14 | 109.5° | 109.5° |
| O71 | C72 | H15 | 109.5° | 109.5° |
| O71 | C72 | H16 | 109.5° | 109.5° |
| C3 | C1 | C4 | 118.5° | 120.0° |
| C1 | C3 | H43 | 109.5° | 109.5° |
| C1 | C3 | H44 | 109.5° | 109.4° |
| C1 | C3 | H45 | 109.5° | 109.5° |
| O71 | C31 | C30 | 101.7° | 109.6° |
| O71 | C31 | C32 | 112.2° | 109.5° |
| O71 | C31 | H13 | 111.8° | 109.6° |
| C1 | C4 | C8 | 131.3° | 120.0° |
| C1 | C4 | H42 | 114.4° | 120.0° |
| C31 | C30 | C35 | 111.6° | 109.1° |
| C30 | C31 | C32 | 110.4° | 109.0° |
| C30 | C31 | H13 | 110.3° | 109.6° |
| C31 | C30 | H17 | 109.0° | 109.5° |
| C30 | C35 | C38 | 109.4° | 109.4° |
| C30 | C35 | O34 | 111.9° | 109.4° |
| C35 | C30 | H17 | 108.9° | 109.6° |
| C30 | C35 | H19 | 107.9° | 109.5° |
| C31 | C32 | O36 | 107.7° | 109.5° |
| C31 | C32 | C33 | 110.1° | 109.2° |
| C31 | C32 | H11 | 108.2° | 109.5° |
| C32 | C31 | H13 | 110.2° | 109.5° |
| C4 | C8 | C9 | 113.6° | 109.5° |
| C4 | C8 | O25 | 110.4° | 109.5° |
| C4 | C8 | H25 | 110.0° | 109.5° |
| C8 | C4 | H42 | 114.3° | 120.0° |
| C38 | C35 | O34 | 110.6° | 109.5° |
| C35 | C38 | O39 | 111.0° | 109.5° |
| C38 | C35 | H19 | 107.8° | 109.5° |
| C35 | C38 | H20 | 109.1° | 109.5° |
| C35 | C38 | H21 | 109.1° | 109.5° |
| C35 | O34 | C33 | 113.9° | 114.1° |
| O34 | C35 | H19 | 109.1° | 109.5° |
| O39 | C38 | H20 | 109.1° | 109.4° |
| O39 | C38 | H21 | 109.1° | 109.4° |
| C38 | O39 | H22 | 109.5° | 114.1° |
| O28 | C26 | O25 | 125.0° | 120.0° |
| O28 | C26 | C27 | 124.0° | 120.0° |
| C9 | C8 | O25 | 102.0° | 109.4° |
| C8 | C9 | C10 | 113.7° | 109.5° |
| C9 | C8 | H25 | 109.5° | 109.4° |
| C8 | C9 | H26 | 108.4° | 109.5° |
| C8 | C9 | H27 | 108.4° | 109.5° |
| C8 | O25 | C26 | 115.4° | 117.0° |
| O25 | C8 | H25 | 111.1° | 109.5° |
| O36 | C32 | C33 | 112.8° | 109.5° |
| O36 | C32 | H11 | 109.8° | 109.5° |
| C32 | O36 | H12 | 109.5° | 114.0° |
| C32 | C33 | O34 | 108.8° | 109.4° |
| C32 | C33 | O29 | 110.8° | 109.5° |
| C32 | C33 | H10 | 108.7° | 109.5° |
| C33 | C32 | H11 | 108.2° | 109.5° |
| C9 | C10 | C11 | 124.8° | 120.0° |
| C10 | C9 | H26 | 108.4° | 109.5° |
| C10 | C9 | H27 | 108.4° | 109.5° |
| C9 | C10 | H28 | 117.6° | 120.0° |
| O34 | C33 | O29 | 108.1° | 109.5° |
| O34 | C33 | H10 | 110.3° | 109.5° |
| C33 | O29 | C24 | 129.2° | 114.0° |
| O29 | C33 | H10 | 110.2° | 109.5° |
| C10 | C11 | C12 | 122.4° | 120.0° |
| C11 | C10 | H28 | 117.6° | 120.0° |
| C10 | C11 | H29 | 118.8° | 120.0° |
| O25 | C26 | C27 | 110.8° | 120.0° |
| C26 | C27 | C24 | 106.8° | 109.4° |
| C26 | C27 | H23 | 110.1° | 109.5° |
| C26 | C27 | H24 | 110.1° | 109.4° |
| O29 | C24 | C27 | 115.3° | 109.4° |
| O29 | C24 | C23 | 104.0° | 109.5° |
| O29 | C24 | H9 | 109.2° | 109.5° |
| C11 | C12 | C13 | 123.7° | 120.0° |
| C12 | C11 | H29 | 118.8° | 120.0° |
| C11 | C12 | H30 | 118.1° | 120.0° |
| C27 | C24 | C23 | 111.7° | 109.5° |
| C27 | C24 | H9 | 107.8° | 109.5° |
| C24 | C27 | H23 | 110.2° | 109.5° |
| C24 | C27 | H24 | 110.1° | 109.5° |
| C12 | C13 | C14 | 123.2° | 120.0° |
| C13 | C12 | H30 | 118.2° | 120.0° |
| C12 | C13 | H31 | 118.4° | 120.0° |
| C24 | C23 | C22 | 120.9° | 120.0° |
| C24 | C23 | H7 | 119.6° | 120.1° |
| C23 | C24 | H9 | 108.6° | 109.5° |
| C13 | C14 | C15 | 112.7° | 109.4° |
| C14 | C13 | H31 | 118.4° | 119.9° |
| C13 | C14 | H32 | 108.6° | 109.5° |
| C13 | C14 | H33 | 108.6° | 109.5° |
| C14 | C15 | C16 | 108.0° | 109.5° |
| C14 | C15 | C19 | 111.2° | 109.5° |
| C15 | C14 | H32 | 108.6° | 109.4° |
| C15 | C14 | H33 | 108.7° | 109.4° |
| C14 | C15 | H34 | 109.4° | 109.5° |
| C23 | C22 | C21 | 116.3° | 120.0° |
| C23 | C22 | H6 | 121.9° | 120.0° |
| C22 | C23 | H7 | 119.5° | 120.0° |
| C22 | C21 | C20 | 118.9° | 109.5° |
| C22 | C21 | H5 | 107.0° | 109.5° |
| C21 | C22 | H6 | 121.9° | 120.0° |
| C22 | C21 | H53 | 107.1° | 109.5° |
| C16 | C15 | C19 | 108.8° | 109.5° |
| C15 | C16 | C17 | 128.6° | 120.0° |
| C16 | C15 | H34 | 109.9° | 109.5° |
| C15 | C16 | H38 | 115.7° | 120.0° |
| C19 | C15 | H34 | 109.4° | 109.4° |
| C15 | C19 | H35 | 109.5° | 109.5° |
| C15 | C19 | H36 | 109.5° | 109.5° |
| C15 | C19 | H37 | 109.5° | 109.4° |
| C16 | C17 | C20 | 119.3° | 120.0° |
| C16 | C17 | C18 | 125.7° | 120.1° |
| C17 | C16 | H38 | 115.7° | 120.0° |
| C21 | C20 | C17 | 110.6° | 109.5° |
| C21 | C20 | O67 | 102.9° | 109.5° |
| C21 | C20 | H4 | 110.5° | 109.4° |
| C20 | C21 | H5 | 107.1° | 109.5° |
| C20 | C21 | H53 | 107.1° | 109.5° |
| C20 | C17 | C18 | 114.9° | 120.0° |
| C17 | C20 | O67 | 110.0° | 109.5° |
| C17 | C20 | H4 | 110.7° | 109.5° |
| C17 | C18 | H39 | 109.5° | 109.5° |
| C17 | C18 | H40 | 109.4° | 109.5° |
| C17 | C18 | H41 | 109.5° | 109.4° |
| C20 | O67 | C68 | 112.4° | 114.0° |
| O67 | C20 | H4 | 112.0° | 109.5° |
| O67 | C68 | H1 | 109.5° | 109.4° |
| O67 | C68 | H2 | 109.5° | 109.4° |
| O67 | C68 | H3 | 109.5° | 109.5° |
| H1 | C68 | H2 | 109.5° | 109.5° |
| H1 | C68 | H3 | 109.5° | 109.5° |
| H2 | C68 | H3 | 109.5° | 109.5° |
| H5 | C21 | H53 | 109.5° | 109.5° |
| H14 | C72 | H15 | 109.5° | 109.5° |
| H14 | C72 | H16 | 109.5° | 109.4° |
| H15 | C72 | H16 | 109.4° | 109.4° |
| H20 | C38 | H21 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H26 | C9 | H27 | 109.4° | 109.5° |
| H32 | C14 | H33 | 109.5° | 109.6° |
| H35 | C19 | H36 | 109.5° | 109.5° |
| H35 | C19 | H37 | 109.5° | 109.5° |
| H36 | C19 | H37 | 109.4° | 109.4° |
| H39 | C18 | H40 | 109.5° | 109.4° |
| H39 | C18 | H41 | 109.4° | 109.5° |
| H40 | C18 | H41 | 109.5° | 109.5° |
| H43 | C3 | H44 | 109.5° | 109.5° |
| H43 | C3 | H45 | 109.5° | 109.4° |
| H44 | C3 | H45 | 109.4° | 109.5° |
| H46 | C2 | H47 | 109.5° | 109.5° |
| H50 | C7 | H51 | 109.5° | 109.5° |
| H50 | C7 | H52 | 109.4° | 109.5° |
| H51 | C7 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H49 | 180.0° | 179.9° |
| C6 | C5 | C2 | H48 | 180.0° | 179.9° |
| C6 | C5 | C2 | C1 | 129.2° | 117.5° |
| C6 | C5 | C2 | H46 | 7.3° | 2.4° |
| C6 | C5 | C2 | H47 | 108.8° | 122.4° |
| C5 | C6 | C7 | H50 | 180.0° | 55.7° |
| C5 | C6 | C7 | H51 | 60.0° | 64.3° |
| C5 | C6 | C7 | H52 | 60.0° | 175.7° |
| C7 | C6 | C5 | C2 | 164.6° | 174.9° |
| C7 | C6 | C5 | H48 | 15.5° | 5.2° |
| C6 | C7 | H50 | H51 | 120.0° | 120.0° |
| C6 | C7 | H50 | H52 | 120.0° | 120.0° |
| C6 | C7 | H51 | H52 | 120.0° | 120.0° |
| C5 | C2 | C1 | H46 | 122.0° | 120.0° |
| C5 | C2 | C1 | H47 | 122.0° | 120.0° |
| C5 | C2 | C1 | C3 | 175.3° | 85.1° |
| C5 | C2 | C1 | C4 | 6.6° | 94.9° |
| C5 | C2 | H46 | H47 | 113.6° | 120.0° |
| C2 | C5 | C6 | H49 | 15.5° | 5.0° |
| C2 | C1 | C3 | C4 | 178.3° | 180.0° |
| C2 | C1 | C4 | C8 | 3.3° | 0.2° |
| C2 | C1 | C4 | H42 | 176.7° | 179.8° |
| C2 | C1 | C3 | H43 | 180.0° | 90.0° |
| C2 | C1 | C3 | H44 | 60.0° | 30.0° |
| C2 | C1 | C3 | H45 | 60.0° | 150.0° |
| C1 | C2 | H46 | H47 | 113.5° | 120.0° |
| C1 | C2 | C5 | H48 | 50.8° | 62.5° |
| O37 | C30 | C31 | O71 | 72.2° | 63.2° |
| O37 | C30 | C31 | C35 | 119.5° | 119.9° |
| O37 | C30 | C31 | H17 | 120.2° | 120.2° |
| O37 | C30 | C35 | H17 | 120.1° | 120.2° |
| O37 | C30 | C31 | C32 | 168.6° | 176.9° |
| O37 | C30 | C35 | C38 | 67.2° | 62.5° |
| O37 | C30 | C35 | O34 | 169.9° | 177.5° |
| O37 | C30 | C31 | H13 | 46.5° | 57.0° |
| O37 | C30 | C35 | H19 | 49.8° | 57.5° |
| C72 | O71 | C31 | C30 | 165.3° | 150.4° |
| C72 | O71 | C31 | C32 | 76.8° | 90.0° |
| C72 | O71 | C31 | H13 | 47.6° | 30.1° |
| O71 | C72 | H14 | H15 | 120.0° | 120.1° |
| O71 | C72 | H14 | H16 | 120.0° | 120.0° |
| O71 | C72 | H15 | H16 | 120.0° | 120.0° |
| C3 | C1 | C4 | C8 | 174.7° | 179.8° |
| C3 | C1 | C4 | H42 | 5.4° | 0.3° |
| C1 | C3 | H43 | H44 | 120.0° | 120.0° |
| C1 | C3 | H43 | H45 | 120.0° | 120.0° |
| C1 | C3 | H44 | H45 | 120.0° | 120.0° |
| C3 | C1 | C2 | H46 | 53.4° | 34.9° |
| C3 | C1 | C2 | H47 | 62.7° | 154.9° |
| O71 | C31 | C30 | C32 | 119.2° | 119.9° |
| O71 | C31 | C30 | H13 | 118.7° | 120.3° |
| O71 | C31 | C30 | C35 | 168.3° | 176.9° |
| O71 | C31 | C32 | H13 | 125.2° | 120.2° |
| O71 | C31 | C32 | O36 | 70.2° | 63.2° |
| O71 | C31 | C32 | C33 | 166.4° | 176.9° |
| O71 | C31 | C32 | H11 | 48.4° | 57.0° |
| C31 | O71 | C72 | H14 | 180.0° | 180.0° |
| C31 | O71 | C72 | H15 | 60.0° | 59.9° |
| C31 | O71 | C72 | H16 | 60.0° | 60.0° |
| O71 | C31 | C30 | H17 | 48.1° | 57.0° |
| C1 | C4 | C8 | H42 | 180.0° | 180.0° |
| C1 | C4 | C8 | C9 | 78.5° | 105.2° |
| C1 | C4 | C8 | O25 | 167.6° | 134.8° |
| C1 | C4 | C8 | H25 | 44.6° | 14.8° |
| C4 | C1 | C3 | H43 | 1.7° | 90.0° |
| C4 | C1 | C3 | H44 | 121.7° | 150.0° |
| C4 | C1 | C3 | H45 | 118.3° | 29.9° |
| C4 | C1 | C2 | H46 | 128.6° | 145.1° |
| C4 | C1 | C2 | H47 | 115.4° | 25.1° |
| C31 | C30 | C35 | H17 | 120.3° | 119.9° |
| C30 | C31 | C32 | H13 | 122.1° | 119.9° |
| C31 | C30 | C35 | C38 | 173.2° | 177.6° |
| C31 | C30 | C35 | O34 | 50.3° | 57.7° |
| C30 | C31 | C32 | O36 | 177.2° | 176.9° |
| C30 | C31 | C32 | C33 | 53.8° | 57.0° |
| C30 | C31 | C32 | H11 | 64.3° | 62.9° |
| C31 | C30 | O37 | H18 | 180.0° | 180.0° |
| C31 | C30 | C35 | H19 | 69.8° | 62.4° |
| C35 | C30 | C31 | C32 | 49.1° | 57.0° |
| C30 | C35 | C38 | O34 | 123.7° | 119.9° |
| C30 | C35 | C38 | H19 | 117.1° | 120.0° |
| C30 | C35 | O34 | H19 | 119.3° | 120.0° |
| C30 | C35 | C38 | O39 | 56.9° | 176.7° |
| C30 | C35 | O34 | C33 | 58.3° | 61.2° |
| C35 | C30 | C31 | H13 | 73.0° | 62.8° |
| C35 | C30 | O37 | H18 | 58.6° | 60.3° |
| C30 | C35 | C38 | H20 | 177.1° | 56.7° |
| C30 | C35 | C38 | H21 | 63.4° | 63.3° |
| C31 | C32 | O36 | C33 | 121.7° | 119.7° |
| C31 | C32 | O36 | H11 | 117.6° | 120.2° |
| C31 | C32 | C33 | H11 | 118.0° | 119.9° |
| C31 | C32 | C33 | O34 | 59.3° | 57.6° |
| C31 | C32 | C33 | O29 | 178.0° | 177.6° |
| C31 | C32 | C33 | H10 | 60.8° | 62.4° |
| C31 | C32 | O36 | H12 | 180.0° | 179.7° |
| C32 | C31 | C30 | H17 | 71.2° | 62.9° |
| C4 | C8 | C9 | O25 | 118.7° | 120.0° |
| C4 | C8 | C9 | H25 | 123.4° | 120.1° |
| C4 | C8 | O25 | H25 | 122.3° | 120.1° |
| C4 | C8 | C9 | C10 | 168.7° | 158.4° |
| C4 | C8 | O25 | C26 | 81.4° | 91.2° |
| C4 | C8 | C9 | H26 | 48.1° | 38.3° |
| C4 | C8 | C9 | H27 | 70.6° | 81.7° |
| C38 | C35 | O34 | H19 | 118.5° | 120.1° |
| C35 | C38 | O39 | H20 | 120.2° | 120.1° |
| C35 | C38 | O39 | H21 | 120.2° | 120.0° |
| C38 | C35 | O34 | C33 | 179.5° | 178.9° |
| C38 | C35 | C30 | H17 | 52.8° | 57.7° |
| C35 | C38 | H20 | H21 | 119.3° | 120.1° |
| C35 | C38 | O39 | H22 | 180.0° | 180.0° |
| O34 | C35 | C38 | O39 | 66.8° | 63.4° |
| C35 | O34 | C33 | C32 | 62.3° | 61.2° |
| C35 | O34 | C33 | O29 | 177.4° | 178.9° |
| C35 | O34 | C33 | H10 | 56.8° | 58.8° |
| O34 | C35 | C30 | H17 | 70.0° | 62.3° |
| O34 | C35 | C38 | H20 | 53.4° | 176.6° |
| O34 | C35 | C38 | H21 | 172.9° | 56.6° |
| O39 | C38 | C35 | H19 | 173.9° | 56.7° |
| O39 | C38 | H20 | H21 | 119.3° | 119.9° |
| O28 | C26 | O25 | C8 | 19.6° | 0.0° |
| O28 | C26 | O25 | C27 | 175.0° | 179.9° |
| O28 | C26 | C27 | C24 | 110.8° | 37.6° |
| O28 | C26 | C27 | H23 | 129.6° | 82.4° |
| O28 | C26 | C27 | H24 | 8.8° | 157.6° |
| C9 | C8 | O25 | H25 | 116.7° | 119.9° |
| C8 | C9 | C10 | H26 | 120.6° | 120.0° |
| C8 | C9 | C10 | H27 | 120.6° | 120.0° |
| C8 | C9 | C10 | C11 | 129.8° | 103.5° |
| C9 | C8 | O25 | C26 | 157.6° | 148.8° |
| C8 | C9 | H26 | H27 | 118.1° | 120.0° |
| C8 | C9 | C10 | H28 | 50.2° | 76.5° |
| C9 | C8 | C4 | H42 | 101.4° | 74.7° |
| O25 | C8 | C9 | C10 | 72.5° | 81.7° |
| C8 | O25 | C26 | C27 | 165.4° | 179.9° |
| O25 | C8 | C9 | H26 | 166.8° | 158.3° |
| O25 | C8 | C9 | H27 | 48.1° | 38.3° |
| O25 | C8 | C4 | H42 | 12.4° | 45.3° |
| O36 | C32 | C33 | H11 | 121.6° | 120.1° |
| O36 | C32 | C33 | O34 | 179.7° | 177.5° |
| O36 | C32 | C33 | O29 | 61.7° | 62.5° |
| O36 | C32 | C33 | H10 | 59.5° | 57.6° |
| O36 | C32 | C31 | H13 | 55.0° | 57.0° |
| C32 | C33 | O34 | O29 | 120.3° | 120.0° |
| C32 | C33 | O34 | H10 | 119.2° | 120.0° |
| C32 | C33 | O29 | H10 | 120.3° | 120.1° |
| C32 | C33 | O29 | C24 | 58.9° | 164.3° |
| C33 | C32 | O36 | H12 | 58.3° | 60.0° |
| C33 | C32 | C31 | H13 | 68.3° | 62.9° |
| C9 | C10 | C11 | H28 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 176.6° | 179.9° |
| C10 | C9 | C8 | H25 | 45.3° | 38.3° |
| C10 | C9 | H26 | H27 | 118.0° | 120.0° |
| C9 | C10 | C11 | H29 | 3.3° | 0.1° |
| O34 | C33 | O29 | H10 | 120.6° | 120.0° |
| O34 | C33 | O29 | C24 | 177.9° | 75.8° |
| O34 | C33 | C32 | H11 | 58.7° | 62.3° |
| C33 | O34 | C35 | H19 | 61.1° | 58.8° |
| C33 | O29 | C24 | C27 | 70.5° | 157.3° |
| C33 | O29 | C24 | C23 | 166.9° | 82.8° |
| C33 | O29 | C24 | H9 | 51.1° | 37.3° |
| O29 | C33 | C32 | H11 | 59.9° | 57.6° |
| C10 | C11 | C12 | H29 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 176.1° | 179.1° |
| C11 | C10 | C9 | H26 | 109.5° | 136.5° |
| C11 | C10 | C9 | H27 | 9.2° | 16.5° |
| C10 | C11 | C12 | H30 | 3.9° | 1.0° |
| O25 | C26 | C27 | C24 | 74.1° | 142.5° |
| O25 | C26 | C27 | H23 | 45.5° | 97.5° |
| O25 | C26 | C27 | H24 | 166.3° | 22.5° |
| C26 | O25 | C8 | H25 | 40.9° | 28.9° |
| C26 | C27 | C24 | O29 | 91.2° | 123.6° |
| C26 | C27 | C24 | H23 | 119.6° | 120.0° |
| C26 | C27 | C24 | H24 | 119.6° | 119.9° |
| C26 | C27 | C24 | C23 | 150.4° | 116.4° |
| C26 | C27 | C24 | H9 | 31.1° | 3.6° |
| C26 | C27 | H23 | H24 | 121.2° | 120.0° |
| O29 | C24 | C27 | C23 | 118.5° | 120.0° |
| O29 | C24 | C27 | H9 | 122.3° | 120.0° |
| O29 | C24 | C23 | H9 | 116.2° | 120.0° |
| O29 | C24 | C23 | C22 | 63.6° | 94.5° |
| O29 | C24 | C23 | H7 | 116.4° | 85.5° |
| C24 | O29 | C33 | H10 | 61.5° | 44.3° |
| O29 | C24 | C27 | H23 | 149.3° | 3.5° |
| O29 | C24 | C27 | H24 | 28.4° | 116.5° |
| C11 | C12 | C13 | H30 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.5° | 179.9° |
| C12 | C11 | C10 | H28 | 3.3° | 0.1° |
| C11 | C12 | C13 | H31 | 0.5° | 0.1° |
| C27 | C24 | C23 | H9 | 118.8° | 120.0° |
| C27 | C24 | C23 | C22 | 171.4° | 145.6° |
| C27 | C24 | C23 | H7 | 8.6° | 34.4° |
| C24 | C27 | H23 | H24 | 121.2° | 120.0° |
| C12 | C13 | C14 | H31 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 139.6° | 135.6° |
| C13 | C12 | C11 | H29 | 3.9° | 0.9° |
| C12 | C13 | C14 | H32 | 19.2° | 15.7° |
| C12 | C13 | C14 | H33 | 99.9° | 104.5° |
| C24 | C23 | C22 | H7 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 155.6° | 180.0° |
| C24 | C23 | C22 | H6 | 24.5° | 0.0° |
| C23 | C24 | C27 | H23 | 30.8° | 123.5° |
| C23 | C24 | C27 | H24 | 90.0° | 3.5° |
| C13 | C14 | C15 | H32 | 120.4° | 119.9° |
| C13 | C14 | C15 | H33 | 120.4° | 120.0° |
| C13 | C14 | C15 | C16 | 64.2° | 77.3° |
| C13 | C14 | C15 | C19 | 176.4° | 162.7° |
| C14 | C13 | C12 | H30 | 0.5° | 0.2° |
| C13 | C14 | H32 | H33 | 118.5° | 120.1° |
| C13 | C14 | C15 | H34 | 55.4° | 42.7° |
| C14 | C15 | C16 | C19 | 120.9° | 120.0° |
| C14 | C15 | C16 | H34 | 119.3° | 120.0° |
| C14 | C15 | C19 | H34 | 121.0° | 120.0° |
| C14 | C15 | C16 | C17 | 122.3° | 129.1° |
| C15 | C14 | C13 | H31 | 40.4° | 44.4° |
| C15 | C14 | H32 | H33 | 118.6° | 120.0° |
| C14 | C15 | C19 | H35 | 180.0° | 60.0° |
| C14 | C15 | C19 | H36 | 60.0° | 179.9° |
| C14 | C15 | C19 | H37 | 60.0° | 60.0° |
| C14 | C15 | C16 | H38 | 57.7° | 50.8° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 177.2° | 136.6° |
| C23 | C22 | C21 | H5 | 61.4° | 103.4° |
| C22 | C23 | C24 | H9 | 52.6° | 25.5° |
| C23 | C22 | C21 | H53 | 55.9° | 16.6° |
| C22 | C21 | C20 | H5 | 121.3° | 120.0° |
| C22 | C21 | C20 | H53 | 121.3° | 120.0° |
| C22 | C21 | C20 | C17 | 97.3° | 110.5° |
| C22 | C21 | C20 | O67 | 145.3° | 129.5° |
| C22 | C21 | C20 | H4 | 25.6° | 9.5° |
| C22 | C21 | H5 | H53 | 115.7° | 120.0° |
| C21 | C22 | C23 | H7 | 24.5° | 0.1° |
| C16 | C15 | C19 | H34 | 120.2° | 120.0° |
| C15 | C16 | C17 | H38 | 180.0° | 179.9° |
| C15 | C16 | C17 | C20 | 178.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.4° | 0.1° |
| C16 | C15 | C14 | H32 | 56.2° | 42.6° |
| C16 | C15 | C14 | H33 | 175.3° | 162.7° |
| C16 | C15 | C19 | H35 | 61.1° | 180.0° |
| C16 | C15 | C19 | H36 | 58.9° | 59.9° |
| C16 | C15 | C19 | H37 | 178.8° | 60.0° |
| C19 | C15 | C16 | C17 | 116.8° | 110.9° |
| C19 | C15 | C14 | H32 | 63.1° | 77.4° |
| C19 | C15 | C14 | H33 | 56.0° | 42.7° |
| C15 | C19 | H35 | H36 | 120.0° | 120.0° |
| C15 | C19 | H35 | H37 | 120.0° | 120.0° |
| C15 | C19 | H36 | H37 | 120.0° | 120.0° |
| C19 | C15 | C16 | H38 | 63.2° | 69.2° |
| C16 | C17 | C20 | C21 | 104.3° | 153.8° |
| C16 | C17 | C20 | C18 | 177.0° | 180.0° |
| C16 | C17 | C20 | O67 | 142.7° | 86.1° |
| C16 | C17 | C20 | H4 | 18.5° | 33.9° |
| C17 | C16 | C15 | H34 | 3.0° | 9.1° |
| C16 | C17 | C18 | H39 | 180.0° | 86.0° |
| C16 | C17 | C18 | H40 | 60.0° | 154.1° |
| C16 | C17 | C18 | H41 | 60.0° | 34.1° |
| C21 | C20 | C17 | O67 | 113.0° | 120.0° |
| C21 | C20 | C17 | H4 | 122.8° | 119.9° |
| C21 | C20 | C17 | C18 | 78.7° | 26.1° |
| C21 | C20 | O67 | H4 | 118.7° | 120.0° |
| C21 | C20 | O67 | C68 | 158.1° | 90.0° |
| C20 | C21 | H5 | H53 | 115.7° | 120.0° |
| C20 | C21 | C22 | H6 | 2.7° | 43.4° |
| C17 | C20 | O67 | H4 | 123.5° | 120.0° |
| C17 | C20 | O67 | C68 | 84.1° | 150.0° |
| C17 | C20 | C21 | H5 | 24.0° | 129.5° |
| C20 | C17 | C16 | H38 | 2.0° | 0.2° |
| C20 | C17 | C18 | H39 | 3.3° | 94.0° |
| C20 | C17 | C18 | H40 | 116.7° | 25.9° |
| C20 | C17 | C18 | H41 | 123.2° | 146.0° |
| C17 | C20 | C21 | H53 | 141.3° | 9.5° |
| C18 | C17 | C20 | O67 | 34.2° | 93.9° |
| C18 | C17 | C20 | H4 | 158.5° | 146.1° |
| C18 | C17 | C16 | H38 | 178.6° | 179.8° |
| C17 | C18 | H39 | H40 | 120.0° | 120.0° |
| C17 | C18 | H39 | H41 | 120.0° | 120.0° |
| C17 | C18 | H40 | H41 | 120.0° | 120.0° |
| C20 | O67 | C68 | H1 | 180.0° | 60.0° |
| C20 | O67 | C68 | H2 | 60.0° | 60.0° |
| C20 | O67 | C68 | H3 | 60.0° | 180.0° |
| O67 | C20 | C21 | H5 | 93.4° | 9.5° |
| O67 | C20 | C21 | H53 | 23.9° | 110.5° |
| O67 | C68 | H1 | H2 | 120.0° | 119.9° |
| O67 | C68 | H1 | H3 | 120.0° | 120.0° |
| O67 | C68 | H2 | H3 | 120.0° | 120.0° |
| C68 | O67 | C20 | H4 | 39.4° | 30.0° |
| H1 | C68 | H2 | H3 | 120.0° | 120.1° |
| H4 | C20 | C21 | H5 | 146.9° | 110.5° |
| H4 | C20 | C21 | H53 | 95.8° | 129.5° |
| H5 | C21 | C22 | H6 | 118.6° | 76.6° |
| H6 | C22 | C23 | H7 | 155.5° | 179.9° |
| H6 | C22 | C21 | H53 | 124.1° | 163.4° |
| H7 | C23 | C24 | H9 | 127.4° | 154.5° |
| H9 | C24 | C27 | H23 | 88.5° | 116.4° |
| H9 | C24 | C27 | H24 | 150.7° | 123.6° |
| H10 | C33 | C32 | H11 | 178.9° | 177.7° |
| H11 | C32 | O36 | H12 | 62.4° | 60.1° |
| H11 | C32 | C31 | H13 | 173.6° | 177.2° |
| H13 | C31 | C30 | H17 | 166.8° | 177.2° |
| H14 | C72 | H15 | H16 | 120.0° | 119.9° |
| H17 | C30 | O37 | H18 | 60.6° | 59.9° |
| H17 | C30 | C35 | H19 | 169.9° | 177.7° |
| H19 | C35 | C38 | H20 | 65.9° | 63.3° |
| H19 | C35 | C38 | H21 | 53.7° | 176.7° |
| H20 | C38 | O39 | H22 | 59.8° | 59.9° |
| H21 | C38 | O39 | H22 | 59.8° | 60.0° |
| H25 | C8 | C9 | H26 | 75.3° | 81.7° |
| H25 | C8 | C9 | H27 | 165.9° | 158.3° |
| H25 | C8 | C4 | H42 | 135.4° | 165.3° |
| H26 | C9 | C10 | H28 | 70.5° | 43.5° |
| H27 | C9 | C10 | H28 | 170.8° | 163.5° |
| H28 | C10 | C11 | H29 | 176.7° | 179.9° |
| H29 | C11 | C12 | H30 | 176.1° | 179.0° |
| H30 | C12 | C13 | H31 | 179.5° | 179.8° |
| H31 | C13 | C14 | H32 | 160.8° | 164.4° |
| H31 | C13 | C14 | H33 | 80.1° | 75.5° |
| H32 | C14 | C15 | H34 | 175.9° | 162.7° |
| H33 | C14 | C15 | H34 | 65.0° | 77.2° |
| H34 | C15 | C19 | H35 | 59.0° | 60.0° |
| H34 | C15 | C19 | H36 | 179.1° | 60.0° |
| H34 | C15 | C19 | H37 | 61.0° | 180.0° |
| H34 | C15 | C16 | H38 | 176.9° | 170.9° |
| H35 | C19 | H36 | H37 | 120.0° | 120.0° |
| H39 | C18 | H40 | H41 | 120.0° | 120.0° |
| H43 | C3 | H44 | H45 | 120.0° | 120.0° |
| H46 | C2 | C5 | H48 | 172.7° | 177.5° |
| H47 | C2 | C5 | H48 | 71.2° | 57.5° |
| H48 | C5 | C6 | H49 | 164.5° | 174.9° |
| H49 | C6 | C7 | H50 | 0.0° | 124.4° |
| H49 | C6 | C7 | H51 | 120.0° | 115.6° |
| H49 | C6 | C7 | H52 | 120.0° | 4.4° |
| H50 | C7 | H51 | H52 | 120.0° | 120.0° |
