GVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | C45 | doub | 1.21Å | 1.22Å | |
| O47 | C45 | sing | 1.34Å | 1.32Å | |
| C45 | C37 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C1 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| C1 | O6 | sing | 1.43Å | 1.43Å | |
| C1 | O11 | sing | 1.43Å | 1.43Å | |
| O31 | C9 | sing | 1.45Å | 1.48Å | |
| O31 | C35 | sing | 1.34Å | 1.34Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| O6 | C5 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | C30 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.49Å | |
| C35 | O38 | doub | 1.21Å | 1.20Å | |
| O11 | C10 | sing | 1.43Å | 1.48Å | |
| C5 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C10 | C25 | sing | 1.51Å | 1.50Å | |
| C17 | C15 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | doub | 1.33Å | 1.32Å | |
| C14 | C15 | doub | 1.33Å | 1.34Å | |
| C15 | C16 | sing | 1.47Å | 1.45Å | |
| C26 | C27 | sing | 1.46Å | 1.46Å | |
| C29 | C27 | sing | 1.51Å | 1.51Å | |
| O40 | C39 | doub | 1.22Å | 1.23Å | |
| C27 | C28 | doub | 1.35Å | 1.35Å | |
| C16 | C18 | doub | 1.33Å | 1.32Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C39 | O41 | sing | 1.35Å | 1.30Å | |
| C39 | C22 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.33Å | 1.32Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C28 | C42 | sing | 1.42Å | 1.48Å | |
| C24 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O23 | sing | 1.43Å | 1.43Å | |
| O44 | C42 | doub | 1.22Å | 1.30Å | |
| C42 | O43 | sing | 1.35Å | 1.22Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| O23 | H27 | sing | 0.97Å | 0.95Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| O41 | H50 | sing | 0.97Å | 0.95Å | |
| O43 | H51 | sing | 0.97Å | 0.95Å | |
| O47 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | C45 | O47 | 122.8° | 120.0° |
| O46 | C45 | C37 | 123.8° | 120.0° |
| O47 | C45 | C37 | 113.3° | 120.0° |
| C45 | O47 | H52 | 109.5° | 117.0° |
| C45 | C37 | C36 | 114.5° | 109.5° |
| C45 | C37 | H48 | 108.2° | 109.5° |
| C45 | C37 | H49 | 108.2° | 109.5° |
| C8 | C7 | C1 | 111.7° | 109.2° |
| C7 | C8 | C9 | 115.8° | 109.0° |
| C7 | C8 | H11 | 107.9° | 109.5° |
| C7 | C8 | H12 | 107.8° | 109.6° |
| C8 | C7 | H13 | 108.9° | 109.5° |
| C8 | C7 | H14 | 108.9° | 109.5° |
| C7 | C1 | C2 | 111.6° | 109.4° |
| C7 | C1 | O6 | 105.8° | 109.5° |
| C7 | C1 | O11 | 110.2° | 109.5° |
| C1 | C7 | H13 | 108.9° | 109.5° |
| C1 | C7 | H14 | 108.9° | 109.5° |
| C8 | C9 | O31 | 106.6° | 109.6° |
| C8 | C9 | C30 | 110.5° | 109.5° |
| C8 | C9 | C10 | 105.8° | 109.1° |
| C9 | C8 | H11 | 107.9° | 109.6° |
| C9 | C8 | H12 | 107.9° | 109.6° |
| C1 | C2 | C3 | 112.0° | 109.2° |
| C2 | C1 | O6 | 110.3° | 109.5° |
| C2 | C1 | O11 | 109.4° | 109.5° |
| C1 | C2 | H7 | 108.8° | 109.5° |
| C1 | C2 | H8 | 108.8° | 109.5° |
| C2 | C3 | C4 | 112.1° | 109.0° |
| C3 | C2 | H7 | 108.8° | 109.5° |
| C3 | C2 | H8 | 108.8° | 109.5° |
| C2 | C3 | H9 | 108.8° | 109.6° |
| C2 | C3 | H10 | 108.8° | 109.5° |
| C37 | C36 | C35 | 113.7° | 109.5° |
| C37 | C36 | H46 | 108.4° | 109.5° |
| C37 | C36 | H47 | 108.4° | 109.5° |
| C36 | C37 | H48 | 108.2° | 109.5° |
| C36 | C37 | H49 | 108.2° | 109.4° |
| C36 | C35 | O31 | 110.2° | 120.0° |
| C36 | C35 | O38 | 124.8° | 120.0° |
| C35 | C36 | H46 | 108.4° | 109.5° |
| C35 | C36 | H47 | 108.4° | 109.5° |
| O6 | C1 | O11 | 109.4° | 109.6° |
| C1 | O6 | C5 | 117.4° | 114.1° |
| C1 | O11 | C10 | 122.7° | 114.2° |
| C9 | O31 | C35 | 124.1° | 117.0° |
| O31 | C9 | C30 | 113.2° | 109.6° |
| O31 | C9 | C10 | 108.1° | 109.5° |
| O31 | C35 | O38 | 125.0° | 120.0° |
| C33 | C32 | C30 | 113.5° | 109.4° |
| C32 | C33 | C34 | 113.6° | 109.5° |
| C33 | C32 | H39 | 108.4° | 109.5° |
| C33 | C32 | H40 | 108.4° | 109.5° |
| C32 | C33 | H41 | 108.4° | 109.5° |
| C32 | C33 | H42 | 108.4° | 109.5° |
| C32 | C30 | C9 | 116.4° | 109.4° |
| C32 | C30 | H37 | 107.7° | 109.5° |
| C32 | C30 | H38 | 107.7° | 109.5° |
| C30 | C32 | H39 | 108.5° | 109.4° |
| C30 | C32 | H40 | 108.5° | 109.5° |
| O6 | C5 | C4 | 109.0° | 109.4° |
| O6 | C5 | C13 | 103.4° | 109.4° |
| O6 | C5 | H16 | 110.8° | 109.5° |
| C3 | C4 | C5 | 108.5° | 109.1° |
| C3 | C4 | C12 | 110.8° | 109.5° |
| C4 | C3 | H9 | 108.8° | 109.6° |
| C4 | C3 | H10 | 108.8° | 109.6° |
| C3 | C4 | H15 | 108.1° | 109.5° |
| C5 | C4 | C12 | 113.3° | 109.5° |
| C4 | C5 | C13 | 114.4° | 109.5° |
| C5 | C4 | H15 | 108.1° | 109.6° |
| C4 | C5 | H16 | 109.6° | 109.5° |
| C4 | C12 | H3 | 109.5° | 109.5° |
| C4 | C12 | H4 | 109.5° | 109.5° |
| C4 | C12 | H5 | 109.5° | 109.5° |
| C12 | C4 | H15 | 108.0° | 109.6° |
| C30 | C9 | C10 | 112.2° | 109.5° |
| C9 | C30 | H37 | 107.7° | 109.4° |
| C9 | C30 | H38 | 107.7° | 109.5° |
| C9 | C10 | O11 | 112.2° | 109.4° |
| C9 | C10 | C25 | 116.8° | 109.5° |
| C9 | C10 | H6 | 106.3° | 109.5° |
| C34 | C33 | H41 | 108.4° | 109.5° |
| C34 | C33 | H42 | 108.4° | 109.4° |
| C33 | C34 | H43 | 109.5° | 109.5° |
| C33 | C34 | H44 | 109.5° | 109.5° |
| C33 | C34 | H45 | 109.5° | 109.5° |
| O11 | C10 | C25 | 107.5° | 109.5° |
| O11 | C10 | H6 | 106.9° | 109.5° |
| C5 | C13 | C14 | 113.2° | 109.5° |
| C5 | C13 | H1 | 108.5° | 109.4° |
| C5 | C13 | H2 | 108.5° | 109.5° |
| C13 | C5 | H16 | 109.5° | 109.5° |
| C13 | C14 | C15 | 127.7° | 120.0° |
| C14 | C13 | H1 | 108.6° | 109.4° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C13 | C14 | H17 | 116.2° | 120.0° |
| C10 | C25 | C26 | 124.9° | 120.0° |
| C25 | C10 | H6 | 106.6° | 109.4° |
| C10 | C25 | H31 | 117.6° | 120.0° |
| C17 | C15 | C14 | 124.4° | 120.0° |
| C17 | C15 | C16 | 118.1° | 120.0° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C15 | C17 | H20 | 109.4° | 109.4° |
| C15 | C17 | H21 | 109.5° | 109.4° |
| C25 | C26 | C27 | 125.2° | 120.0° |
| C26 | C25 | H31 | 117.5° | 120.0° |
| C25 | C26 | H32 | 117.4° | 120.0° |
| C14 | C15 | C16 | 117.6° | 120.0° |
| C15 | C14 | H17 | 116.2° | 120.0° |
| C15 | C16 | C18 | 128.7° | 120.0° |
| C15 | C16 | H18 | 115.7° | 120.0° |
| C26 | C27 | C29 | 118.6° | 120.0° |
| C26 | C27 | C28 | 119.8° | 120.0° |
| C27 | C26 | H32 | 117.4° | 120.1° |
| C29 | C27 | C28 | 121.4° | 120.0° |
| C27 | C29 | H34 | 109.5° | 109.5° |
| C27 | C29 | H35 | 109.5° | 109.5° |
| C27 | C29 | H36 | 109.5° | 109.5° |
| O40 | C39 | O41 | 123.2° | 119.9° |
| O40 | C39 | C22 | 121.5° | 120.0° |
| C27 | C28 | C42 | 133.2° | 120.0° |
| C27 | C28 | H33 | 113.4° | 120.0° |
| C16 | C18 | C19 | 124.7° | 120.1° |
| C18 | C16 | H18 | 115.6° | 120.0° |
| C16 | C18 | H22 | 117.7° | 120.0° |
| C18 | C19 | C20 | 112.2° | 109.5° |
| C18 | C19 | O23 | 110.2° | 109.5° |
| C19 | C18 | H22 | 117.7° | 120.0° |
| C18 | C19 | H23 | 108.3° | 109.4° |
| O41 | C39 | C22 | 115.3° | 120.0° |
| C39 | O41 | H50 | 109.5° | 117.0° |
| C39 | C22 | C21 | 122.5° | 120.0° |
| C39 | C22 | H26 | 118.7° | 120.0° |
| C22 | C21 | C20 | 120.6° | 120.0° |
| C22 | C21 | H25 | 119.7° | 120.0° |
| C21 | C22 | H26 | 118.7° | 120.0° |
| C21 | C20 | C24 | 109.8° | 109.5° |
| C21 | C20 | C19 | 111.3° | 109.5° |
| C21 | C20 | H24 | 108.5° | 109.5° |
| C20 | C21 | H25 | 119.7° | 120.0° |
| C28 | C42 | O44 | 116.7° | 120.0° |
| C28 | C42 | O43 | 120.4° | 120.1° |
| C42 | C28 | H33 | 113.4° | 120.0° |
| C24 | C20 | C19 | 110.8° | 109.5° |
| C24 | C20 | H24 | 108.2° | 109.4° |
| C20 | C24 | H28 | 109.5° | 109.5° |
| C20 | C24 | H29 | 109.5° | 109.5° |
| C20 | C24 | H30 | 109.5° | 109.5° |
| C20 | C19 | O23 | 109.2° | 109.5° |
| C20 | C19 | H23 | 107.7° | 109.5° |
| C19 | C20 | H24 | 108.1° | 109.5° |
| O23 | C19 | H23 | 109.1° | 109.5° |
| C19 | O23 | H27 | 109.5° | 114.0° |
| O44 | C42 | O43 | 122.4° | 120.0° |
| C42 | O43 | H51 | 109.5° | 114.1° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H3 | C12 | H5 | 109.5° | 109.4° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.6° |
| H9 | C3 | H10 | 109.4° | 109.6° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H21 | 109.4° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.4° | 109.5° |
| H28 | C24 | H30 | 109.5° | 109.5° |
| H29 | C24 | H30 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H34 | C29 | H36 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.4° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.4° |
| H43 | C34 | H45 | 109.5° | 109.5° |
| H44 | C34 | H45 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.4° |
| H48 | C37 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | C45 | O47 | C37 | 179.4° | 180.0° |
| O46 | C45 | C37 | C36 | 21.4° | 0.0° |
| O46 | C45 | C37 | H48 | 142.2° | 120.0° |
| O46 | C45 | C37 | H49 | 99.3° | 120.0° |
| O46 | C45 | O47 | H52 | 0.0° | 0.0° |
| O47 | C45 | C37 | C36 | 159.2° | 180.0° |
| O47 | C45 | C37 | H48 | 38.4° | 60.0° |
| O47 | C45 | C37 | H49 | 80.1° | 60.0° |
| C45 | C37 | C36 | H48 | 120.8° | 120.0° |
| C45 | C37 | C36 | H49 | 120.7° | 120.0° |
| C45 | C37 | C36 | C35 | 178.0° | 180.0° |
| C45 | C37 | C36 | H46 | 61.3° | 60.0° |
| C45 | C37 | C36 | H47 | 57.4° | 60.0° |
| C45 | C37 | H48 | H49 | 117.7° | 120.0° |
| C37 | C45 | O47 | H52 | 179.4° | 180.0° |
| C8 | C7 | C1 | H13 | 120.3° | 119.9° |
| C8 | C7 | C1 | H14 | 120.3° | 119.9° |
| C7 | C8 | C9 | H11 | 120.9° | 119.8° |
| C7 | C8 | C9 | H12 | 120.9° | 120.0° |
| C8 | C7 | C1 | C2 | 165.2° | 177.5° |
| C8 | C7 | C1 | O6 | 74.8° | 62.6° |
| C8 | C7 | C1 | O11 | 43.4° | 57.5° |
| C7 | C8 | C9 | O31 | 58.6° | 62.9° |
| C7 | C8 | C9 | C30 | 177.9° | 176.9° |
| C7 | C8 | C9 | C10 | 56.3° | 57.1° |
| C7 | C8 | H11 | H12 | 117.1° | 120.3° |
| C8 | C7 | H13 | H14 | 119.0° | 120.1° |
| C1 | C7 | C8 | C9 | 54.9° | 57.0° |
| C7 | C1 | C2 | O6 | 117.3° | 119.9° |
| C7 | C1 | C2 | O11 | 122.3° | 120.0° |
| C7 | C1 | C2 | C3 | 165.1° | 177.4° |
| C7 | C1 | O6 | O11 | 118.7° | 120.0° |
| C7 | C1 | O6 | C5 | 175.7° | 179.1° |
| C7 | C1 | O11 | C10 | 44.1° | 61.0° |
| C7 | C1 | C2 | H7 | 74.5° | 62.7° |
| C7 | C1 | C2 | H8 | 44.8° | 57.5° |
| C1 | C7 | C8 | H11 | 66.0° | 176.9° |
| C1 | C7 | C8 | H12 | 175.8° | 62.9° |
| C1 | C7 | H13 | H14 | 119.0° | 120.1° |
| C8 | C9 | O31 | C30 | 121.8° | 120.2° |
| C8 | C9 | O31 | C10 | 113.3° | 119.7° |
| C8 | C9 | O31 | C35 | 160.0° | 175.1° |
| C8 | C9 | C30 | C32 | 71.1° | 55.7° |
| C8 | C9 | C30 | C10 | 117.8° | 119.6° |
| C8 | C9 | C10 | O11 | 49.5° | 57.7° |
| C8 | C9 | C10 | C25 | 75.2° | 62.3° |
| C8 | C9 | C10 | H6 | 166.0° | 177.7° |
| C9 | C8 | H11 | H12 | 117.2° | 120.2° |
| C9 | C8 | C7 | H13 | 65.4° | 176.9° |
| C9 | C8 | C7 | H14 | 175.3° | 62.9° |
| C8 | C9 | C30 | H37 | 49.9° | 175.6° |
| C8 | C9 | C30 | H38 | 167.9° | 64.4° |
| C1 | C2 | C3 | H7 | 120.4° | 119.9° |
| C1 | C2 | C3 | H8 | 120.4° | 119.9° |
| C2 | C1 | O6 | O11 | 120.5° | 120.1° |
| C2 | C1 | O6 | C5 | 54.9° | 61.0° |
| C1 | C2 | C3 | C4 | 50.9° | 57.0° |
| C2 | C1 | O11 | C10 | 167.2° | 179.1° |
| C1 | C2 | H7 | H8 | 118.8° | 120.2° |
| C1 | C2 | C3 | H9 | 69.5° | 62.9° |
| C1 | C2 | C3 | H10 | 171.4° | 176.8° |
| C2 | C1 | C7 | H13 | 44.8° | 62.6° |
| C2 | C1 | C7 | H14 | 74.5° | 57.5° |
| C3 | C2 | C1 | O6 | 47.8° | 57.5° |
| C3 | C2 | C1 | O11 | 72.6° | 62.6° |
| C2 | C3 | C4 | H9 | 120.4° | 119.9° |
| C2 | C3 | C4 | H10 | 120.4° | 119.8° |
| C2 | C3 | C4 | C5 | 55.0° | 57.1° |
| C2 | C3 | C4 | C12 | 180.0° | 177.0° |
| C3 | C2 | H7 | H8 | 118.8° | 120.1° |
| C2 | C3 | H9 | H10 | 118.8° | 120.2° |
| C2 | C3 | C4 | H15 | 61.9° | 62.9° |
| C37 | C36 | C35 | H46 | 120.6° | 120.0° |
| C37 | C36 | C35 | H47 | 120.7° | 120.0° |
| C37 | C36 | C35 | O31 | 125.5° | 180.0° |
| C37 | C36 | C35 | O38 | 54.9° | 0.0° |
| C37 | C36 | H46 | H47 | 118.1° | 120.0° |
| C36 | C37 | H48 | H49 | 117.7° | 120.0° |
| C36 | C35 | O31 | C9 | 152.4° | 175.0° |
| C36 | C35 | O31 | O38 | 179.6° | 180.0° |
| C35 | C36 | H46 | H47 | 118.0° | 120.0° |
| C35 | C36 | C37 | H48 | 57.3° | 60.0° |
| C35 | C36 | C37 | H49 | 61.2° | 60.0° |
| C1 | O6 | C5 | C4 | 60.3° | 61.1° |
| O6 | C1 | O11 | C10 | 71.8° | 59.0° |
| C1 | O6 | C5 | C13 | 177.7° | 178.9° |
| O6 | C1 | C2 | H7 | 168.2° | 177.4° |
| O6 | C1 | C2 | H8 | 72.6° | 62.4° |
| O6 | C1 | C7 | H13 | 164.9° | 57.3° |
| O6 | C1 | C7 | H14 | 45.6° | 177.5° |
| C1 | O6 | C5 | H16 | 60.4° | 58.9° |
| O11 | C1 | O6 | C5 | 65.6° | 59.1° |
| C1 | O11 | C10 | C9 | 49.2° | 61.1° |
| C1 | O11 | C10 | C25 | 80.4° | 58.9° |
| C1 | O11 | C10 | H6 | 165.4° | 178.9° |
| O11 | C1 | C2 | H7 | 47.8° | 57.3° |
| O11 | C1 | C2 | H8 | 167.0° | 177.4° |
| O11 | C1 | C7 | H13 | 77.0° | 177.4° |
| O11 | C1 | C7 | H14 | 163.7° | 62.4° |
| O31 | C9 | C30 | C32 | 48.4° | 64.6° |
| O31 | C9 | C30 | C10 | 122.6° | 120.2° |
| C9 | O31 | C35 | O38 | 28.0° | 4.9° |
| O31 | C9 | C10 | O11 | 64.4° | 62.3° |
| O31 | C9 | C10 | C25 | 170.9° | 177.7° |
| O31 | C9 | C10 | H6 | 52.1° | 57.8° |
| O31 | C9 | C8 | H11 | 179.5° | 57.0° |
| O31 | C9 | C8 | H12 | 62.3° | 177.1° |
| O31 | C9 | C30 | H37 | 169.4° | 55.4° |
| O31 | C9 | C30 | H38 | 72.6° | 175.4° |
| C35 | O31 | C9 | C30 | 38.2° | 55.0° |
| C35 | O31 | C9 | C10 | 86.7° | 65.2° |
| O31 | C35 | C36 | H46 | 113.9° | 60.0° |
| O31 | C35 | C36 | H47 | 4.8° | 59.9° |
| C33 | C32 | C30 | H39 | 120.6° | 120.0° |
| C33 | C32 | C30 | H40 | 120.6° | 120.0° |
| C33 | C32 | C30 | C9 | 169.2° | 174.6° |
| C32 | C33 | C34 | H41 | 120.6° | 120.0° |
| C32 | C33 | C34 | H42 | 120.6° | 120.0° |
| C33 | C32 | C30 | H37 | 48.2° | 54.7° |
| C33 | C32 | C30 | H38 | 69.8° | 65.4° |
| C33 | C32 | H39 | H40 | 118.1° | 120.1° |
| C32 | C33 | H41 | H42 | 118.1° | 120.1° |
| C32 | C33 | C34 | H43 | 180.0° | 180.0° |
| C32 | C33 | C34 | H44 | 60.0° | 60.0° |
| C32 | C33 | C34 | H45 | 60.0° | 60.0° |
| C32 | C30 | C9 | H37 | 121.0° | 120.0° |
| C32 | C30 | C9 | H38 | 121.0° | 120.0° |
| C32 | C30 | C9 | C10 | 171.1° | 175.3° |
| C30 | C32 | C33 | C34 | 99.8° | 180.0° |
| C32 | C30 | H37 | H38 | 116.9° | 120.1° |
| C30 | C32 | H39 | H40 | 118.2° | 120.0° |
| C30 | C32 | C33 | H41 | 20.8° | 60.0° |
| C30 | C32 | C33 | H42 | 139.6° | 60.0° |
| O6 | C5 | C4 | C3 | 57.1° | 57.7° |
| O6 | C5 | C4 | C13 | 115.1° | 119.9° |
| O6 | C5 | C4 | H16 | 121.5° | 120.1° |
| O6 | C5 | C4 | C12 | 179.4° | 177.6° |
| O6 | C5 | C13 | H16 | 118.2° | 120.0° |
| O6 | C5 | C13 | C14 | 148.9° | 24.8° |
| O6 | C5 | C13 | H1 | 90.6° | 144.7° |
| O6 | C5 | C13 | H2 | 28.3° | 95.3° |
| O6 | C5 | C4 | H15 | 59.8° | 62.2° |
| C3 | C4 | C5 | C12 | 123.4° | 119.8° |
| C3 | C4 | C5 | H15 | 116.9° | 119.9° |
| C3 | C4 | C12 | H15 | 118.2° | 120.1° |
| C3 | C4 | C5 | C13 | 172.3° | 177.6° |
| C3 | C4 | C12 | H3 | 180.0° | 60.0° |
| C3 | C4 | C12 | H4 | 60.0° | 180.0° |
| C3 | C4 | C12 | H5 | 60.0° | 59.9° |
| C4 | C3 | C2 | H7 | 171.3° | 176.9° |
| C4 | C3 | C2 | H8 | 69.4° | 63.0° |
| C4 | C3 | H9 | H10 | 118.8° | 120.3° |
| C3 | C4 | C5 | H16 | 64.3° | 62.3° |
| C5 | C4 | C12 | H15 | 119.7° | 120.2° |
| C4 | C5 | C13 | H16 | 123.5° | 120.1° |
| C4 | C5 | C13 | C14 | 92.8° | 144.6° |
| C4 | C5 | C13 | H1 | 27.7° | 95.4° |
| C4 | C5 | C13 | H2 | 146.6° | 24.6° |
| C5 | C4 | C12 | H3 | 57.9° | 179.6° |
| C5 | C4 | C12 | H4 | 62.1° | 60.4° |
| C5 | C4 | C12 | H5 | 177.9° | 59.7° |
| C5 | C4 | C3 | H9 | 65.4° | 62.8° |
| C5 | C4 | C3 | H10 | 175.4° | 176.9° |
| C12 | C4 | C5 | C13 | 64.3° | 62.5° |
| C4 | C12 | H3 | H4 | 120.0° | 120.0° |
| C4 | C12 | H3 | H5 | 120.0° | 120.0° |
| C4 | C12 | H4 | H5 | 120.0° | 120.1° |
| C12 | C4 | C3 | H9 | 59.5° | 57.0° |
| C12 | C4 | C3 | H10 | 59.6° | 63.3° |
| C12 | C4 | C5 | H16 | 59.1° | 57.5° |
| C30 | C9 | C10 | O11 | 170.1° | 177.5° |
| C30 | C9 | C10 | C25 | 45.4° | 57.5° |
| C30 | C9 | C10 | H6 | 73.4° | 62.5° |
| C30 | C9 | C8 | H11 | 57.0° | 63.3° |
| C30 | C9 | C8 | H12 | 61.2° | 56.9° |
| C9 | C30 | H37 | H38 | 116.9° | 120.0° |
| C9 | C30 | C32 | H39 | 70.2° | 65.4° |
| C9 | C30 | C32 | H40 | 48.6° | 54.6° |
| C9 | C10 | O11 | C25 | 129.7° | 120.0° |
| C9 | C10 | O11 | H6 | 116.2° | 120.0° |
| C9 | C10 | C25 | H6 | 118.6° | 120.0° |
| C9 | C10 | C25 | C26 | 93.9° | 108.2° |
| C10 | C9 | C8 | H11 | 64.6° | 176.9° |
| C10 | C9 | C8 | H12 | 177.2° | 62.9° |
| C9 | C10 | C25 | H31 | 86.1° | 71.7° |
| C10 | C9 | C30 | H37 | 67.9° | 64.8° |
| C10 | C9 | C30 | H38 | 50.1° | 55.2° |
| C34 | C33 | C32 | H39 | 20.8° | 60.1° |
| C34 | C33 | C32 | H40 | 139.7° | 60.0° |
| C34 | C33 | H41 | H42 | 118.1° | 119.9° |
| C33 | C34 | H43 | H44 | 120.0° | 120.0° |
| C33 | C34 | H43 | H45 | 120.0° | 120.1° |
| C33 | C34 | H44 | H45 | 120.0° | 120.0° |
| O38 | C35 | C36 | H46 | 65.7° | 120.0° |
| O38 | C35 | C36 | H47 | 175.5° | 120.0° |
| O11 | C10 | C25 | H6 | 114.3° | 120.0° |
| O11 | C10 | C25 | C26 | 139.0° | 131.8° |
| O11 | C10 | C25 | H31 | 40.9° | 48.2° |
| C5 | C13 | C14 | H1 | 120.5° | 119.9° |
| C5 | C13 | C14 | H2 | 120.5° | 120.1° |
| C5 | C13 | C14 | C15 | 175.3° | 116.8° |
| C5 | C13 | H1 | H2 | 118.3° | 120.1° |
| C13 | C5 | C4 | H15 | 55.3° | 57.7° |
| C5 | C13 | C14 | H17 | 4.7° | 63.2° |
| C13 | C14 | C15 | C17 | 2.2° | 15.8° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 178.1° | 164.2° |
| C14 | C13 | H1 | H2 | 118.3° | 120.0° |
| C14 | C13 | C5 | H16 | 30.7° | 95.3° |
| C10 | C25 | C26 | H31 | 180.0° | 179.9° |
| C10 | C25 | C26 | C27 | 179.2° | 126.7° |
| C10 | C25 | C26 | H32 | 0.8° | 53.3° |
| C17 | C15 | C14 | C16 | 179.7° | 180.0° |
| C17 | C15 | C16 | C18 | 10.3° | 24.4° |
| C17 | C15 | C14 | H17 | 177.8° | 164.2° |
| C17 | C15 | C16 | H18 | 169.7° | 155.5° |
| C15 | C17 | H19 | H20 | 120.0° | 120.0° |
| C15 | C17 | H19 | H21 | 120.0° | 120.0° |
| C15 | C17 | H20 | H21 | 120.0° | 119.9° |
| C25 | C26 | C27 | H32 | 180.0° | 180.0° |
| C25 | C26 | C27 | C29 | 16.5° | 0.5° |
| C25 | C26 | C27 | C28 | 167.1° | 179.5° |
| C26 | C25 | C10 | H6 | 24.7° | 11.8° |
| C14 | C15 | C16 | C18 | 170.0° | 155.6° |
| C15 | C14 | C13 | H1 | 64.1° | 3.2° |
| C15 | C14 | C13 | H2 | 54.8° | 123.1° |
| C14 | C15 | C16 | H18 | 10.0° | 24.4° |
| C14 | C15 | C17 | H19 | 180.0° | 90.0° |
| C14 | C15 | C17 | H20 | 60.0° | 150.0° |
| C14 | C15 | C17 | H21 | 60.0° | 30.1° |
| C15 | C16 | C18 | H18 | 180.0° | 180.0° |
| C15 | C16 | C18 | C19 | 178.6° | 175.0° |
| C16 | C15 | C14 | H17 | 1.9° | 15.8° |
| C16 | C15 | C17 | H19 | 0.3° | 90.0° |
| C16 | C15 | C17 | H20 | 120.3° | 30.1° |
| C16 | C15 | C17 | H21 | 119.7° | 150.0° |
| C15 | C16 | C18 | H22 | 1.4° | 5.0° |
| C26 | C27 | C29 | C28 | 176.3° | 180.0° |
| C26 | C27 | C28 | C42 | 179.7° | 154.4° |
| C27 | C26 | C25 | H31 | 0.8° | 53.4° |
| C26 | C27 | C28 | H33 | 0.3° | 25.6° |
| C26 | C27 | C29 | H34 | 180.0° | 75.0° |
| C26 | C27 | C29 | H35 | 60.0° | 165.0° |
| C26 | C27 | C29 | H36 | 60.0° | 45.0° |
| C29 | C27 | C28 | C42 | 4.1° | 25.6° |
| C29 | C27 | C26 | H32 | 163.5° | 179.5° |
| C29 | C27 | C28 | H33 | 175.9° | 154.4° |
| C27 | C29 | H34 | H35 | 120.0° | 120.0° |
| C27 | C29 | H34 | H36 | 120.0° | 120.0° |
| C27 | C29 | H35 | H36 | 120.0° | 120.0° |
| O40 | C39 | O41 | C22 | 179.6° | 180.0° |
| O40 | C39 | C22 | C21 | 1.0° | 0.0° |
| O40 | C39 | C22 | H26 | 179.0° | 180.0° |
| O40 | C39 | O41 | H50 | 0.0° | 0.0° |
| C27 | C28 | C42 | H33 | 180.0° | 180.0° |
| C27 | C28 | C42 | O44 | 14.6° | 4.8° |
| C27 | C28 | C42 | O43 | 157.6° | 175.2° |
| C28 | C27 | C26 | H32 | 12.8° | 0.5° |
| C28 | C27 | C29 | H34 | 3.8° | 105.0° |
| C28 | C27 | C29 | H35 | 123.8° | 15.1° |
| C28 | C27 | C29 | H36 | 116.3° | 135.0° |
| C16 | C18 | C19 | H22 | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 102.8° | 125.0° |
| C16 | C18 | C19 | O23 | 135.3° | 115.0° |
| C16 | C18 | C19 | H23 | 16.0° | 5.0° |
| C18 | C19 | C20 | C21 | 53.1° | 170.0° |
| C18 | C19 | C20 | C24 | 69.4° | 70.0° |
| C18 | C19 | C20 | O23 | 122.5° | 120.0° |
| C18 | C19 | C20 | H23 | 119.1° | 120.0° |
| C18 | C19 | O23 | H23 | 118.8° | 119.9° |
| C19 | C18 | C16 | H18 | 1.4° | 5.0° |
| C18 | C19 | C20 | H24 | 172.2° | 50.0° |
| C18 | C19 | O23 | H27 | 180.0° | 65.0° |
| O41 | C39 | C22 | C21 | 179.4° | 180.0° |
| O41 | C39 | C22 | H26 | 0.6° | 0.0° |
| C39 | C22 | C21 | H26 | 180.0° | 180.0° |
| C39 | C22 | C21 | C20 | 180.0° | 180.0° |
| C39 | C22 | C21 | H25 | 0.0° | 0.0° |
| C22 | C39 | O41 | H50 | 179.5° | 180.0° |
| C22 | C21 | C20 | H25 | 180.0° | 180.0° |
| C22 | C21 | C20 | C24 | 125.8° | 120.0° |
| C22 | C21 | C20 | C19 | 111.1° | 120.0° |
| C22 | C21 | C20 | H24 | 7.7° | 0.0° |
| C21 | C20 | C24 | C19 | 123.3° | 120.0° |
| C21 | C20 | C24 | H24 | 118.3° | 120.1° |
| C21 | C20 | C19 | H24 | 119.1° | 120.1° |
| C21 | C20 | C19 | O23 | 69.4° | 70.0° |
| C21 | C20 | C19 | H23 | 172.2° | 50.1° |
| C20 | C21 | C22 | H26 | 0.0° | 0.0° |
| C21 | C20 | C24 | H28 | 180.0° | 65.0° |
| C21 | C20 | C24 | H29 | 60.0° | 175.0° |
| C21 | C20 | C24 | H30 | 60.0° | 55.0° |
| C28 | C42 | O44 | O43 | 172.1° | 180.0° |
| C28 | C42 | O43 | H51 | 171.8° | 174.9° |
| C24 | C20 | C19 | H24 | 118.4° | 120.0° |
| C24 | C20 | C19 | O23 | 168.1° | 50.0° |
| C24 | C20 | C19 | H23 | 49.7° | 170.1° |
| C24 | C20 | C21 | H25 | 54.2° | 60.0° |
| C20 | C24 | H28 | H29 | 120.0° | 120.0° |
| C20 | C24 | H28 | H30 | 120.0° | 120.0° |
| C20 | C24 | H29 | H30 | 120.0° | 120.0° |
| C20 | C19 | O23 | H23 | 117.5° | 120.0° |
| C20 | C19 | C18 | H22 | 77.2° | 55.0° |
| C19 | C20 | C21 | H25 | 68.9° | 60.0° |
| C20 | C19 | O23 | H27 | 56.3° | 55.0° |
| C19 | C20 | C24 | H28 | 56.6° | 175.0° |
| C19 | C20 | C24 | H29 | 63.3° | 55.0° |
| C19 | C20 | C24 | H30 | 176.6° | 65.0° |
| O23 | C19 | C18 | H22 | 44.7° | 65.0° |
| O23 | C19 | C20 | H24 | 49.7° | 170.0° |
| O44 | C42 | C28 | H33 | 165.4° | 175.2° |
| O44 | C42 | O43 | H51 | 0.0° | 5.0° |
| O43 | C42 | C28 | H33 | 22.4° | 4.9° |
| H1 | C13 | C5 | H16 | 151.2° | 24.7° |
| H1 | C13 | C14 | H17 | 115.8° | 176.9° |
| H2 | C13 | C5 | H16 | 89.9° | 144.7° |
| H2 | C13 | C14 | H17 | 125.2° | 56.9° |
| H3 | C12 | H4 | H5 | 120.0° | 119.9° |
| H3 | C12 | C4 | H15 | 61.8° | 60.2° |
| H4 | C12 | C4 | H15 | 178.2° | 59.8° |
| H5 | C12 | C4 | H15 | 58.2° | 179.9° |
| H6 | C10 | C25 | H31 | 155.2° | 168.3° |
| H7 | C2 | C3 | H9 | 50.9° | 57.0° |
| H7 | C2 | C3 | H10 | 68.3° | 63.3° |
| H8 | C2 | C3 | H9 | 170.2° | 177.1° |
| H8 | C2 | C3 | H10 | 51.0° | 56.9° |
| H9 | C3 | C4 | H15 | 177.7° | 177.2° |
| H10 | C3 | C4 | H15 | 58.5° | 56.9° |
| H11 | C8 | C7 | H13 | 173.7° | 63.2° |
| H11 | C8 | C7 | H14 | 54.4° | 56.9° |
| H12 | C8 | C7 | H13 | 55.5° | 57.0° |
| H12 | C8 | C7 | H14 | 63.8° | 177.1° |
| H15 | C4 | C5 | H16 | 178.8° | 177.7° |
| H18 | C16 | C18 | H22 | 178.6° | 175.0° |
| H19 | C17 | H20 | H21 | 120.0° | 120.1° |
| H22 | C18 | C19 | H23 | 164.1° | 175.0° |
| H23 | C19 | C20 | H24 | 68.7° | 70.0° |
| H23 | C19 | O23 | H27 | 61.2° | 175.0° |
| H24 | C20 | C21 | H25 | 172.3° | 180.0° |
| H24 | C20 | C24 | H28 | 61.7° | 55.0° |
| H24 | C20 | C24 | H29 | 178.3° | 65.0° |
| H24 | C20 | C24 | H30 | 58.3° | 175.1° |
| H25 | C21 | C22 | H26 | 180.0° | 180.0° |
| H28 | C24 | H29 | H30 | 120.0° | 120.0° |
| H31 | C25 | C26 | H32 | 179.2° | 126.6° |
| H34 | C29 | H35 | H36 | 120.0° | 120.0° |
| H37 | C30 | C32 | H39 | 168.7° | 174.7° |
| H37 | C30 | C32 | H40 | 72.4° | 65.3° |
| H38 | C30 | C32 | H39 | 50.7° | 54.6° |
| H38 | C30 | C32 | H40 | 169.6° | 174.6° |
| H39 | C32 | C33 | H41 | 141.4° | 179.9° |
| H39 | C32 | C33 | H42 | 99.8° | 59.9° |
| H40 | C32 | C33 | H41 | 99.8° | 60.0° |
| H40 | C32 | C33 | H42 | 19.1° | 180.0° |
| H41 | C33 | C34 | H43 | 59.4° | 60.0° |
| H41 | C33 | C34 | H44 | 179.4° | 179.9° |
| H41 | C33 | C34 | H45 | 60.6° | 60.1° |
| H42 | C33 | C34 | H43 | 59.4° | 60.0° |
| H42 | C33 | C34 | H44 | 60.6° | 60.0° |
| H42 | C33 | C34 | H45 | 179.4° | 180.0° |
| H43 | C34 | H44 | H45 | 120.0° | 119.9° |
| H46 | C36 | C37 | H48 | 177.9° | 180.0° |
| H46 | C36 | C37 | H49 | 59.4° | 60.0° |
| H47 | C36 | C37 | H48 | 63.3° | 60.0° |
| H47 | C36 | C37 | H49 | 178.1° | 180.0° |
