LBF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C30 | C16 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C8 | sing | 1.51Å | 1.52Å | |
| O2 | C1 | sing | 1.36Å | 1.46Å | |
| O2 | C5 | sing | 1.46Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.47Å | 1.51Å | |
| C13 | C12 | doub | 1.33Å | 1.33Å | |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.33Å | 1.35Å | |
| C8 | C9 | doub | 1.33Å | 1.35Å | |
| C8 | C7 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C14 | C29 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.33Å | 1.33Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C10 | C28 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | doub | 1.33Å | 1.53Å | |
| O3 | C17 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C25 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.50Å | 1.52Å | |
| C31 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C33 | C22 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O4 | sing | 1.43Å | 1.43Å | |
| C20 | C32 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O5 | C24 | doub | 1.22Å | 1.25Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.33Å | 1.35Å | |
| C24 | C23 | sing | 1.47Å | 1.48Å | |
| C24 | O6 | sing | 1.35Å | 1.24Å | |
| O6 | H1 | sing | 0.97Å | 0.95Å | |
| C23 | H2 | sing | 1.08Å | 1.08Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C33 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| C6 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.08Å | 1.08Å | |
| C2 | H49 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 117.6° | 121.2° |
| O1 | C1 | C2 | 119.6° | 121.2° |
| C30 | C16 | C15 | 109.3° | 109.5° |
| C30 | C16 | C17 | 109.9° | 109.5° |
| C30 | C16 | H18 | 108.8° | 109.5° |
| C16 | C30 | H19 | 109.5° | 109.5° |
| C16 | C30 | H20 | 109.5° | 109.5° |
| C16 | C30 | H21 | 109.5° | 109.4° |
| C27 | C26 | C8 | 113.9° | 109.5° |
| C27 | C26 | H35 | 108.3° | 109.5° |
| C27 | C26 | H36 | 108.4° | 109.5° |
| C26 | C27 | H37 | 109.5° | 109.5° |
| C26 | C27 | H38 | 109.5° | 109.5° |
| C26 | C27 | H39 | 109.5° | 109.5° |
| C26 | C8 | C9 | 119.9° | 120.0° |
| C26 | C8 | C7 | 118.5° | 120.0° |
| C8 | C26 | H35 | 108.4° | 109.5° |
| C8 | C26 | H36 | 108.3° | 109.4° |
| C1 | O2 | C5 | 116.6° | 114.2° |
| O2 | C1 | C2 | 122.7° | 117.5° |
| O2 | C5 | C6 | 104.5° | 109.5° |
| O2 | C5 | C4 | 110.1° | 108.8° |
| O2 | C5 | H42 | 110.1° | 109.7° |
| C12 | C11 | C10 | 111.3° | 109.4° |
| C11 | C12 | C13 | 118.7° | 120.0° |
| C11 | C12 | H27 | 120.6° | 120.0° |
| C12 | C11 | H28 | 109.0° | 109.5° |
| C12 | C11 | H29 | 109.0° | 109.5° |
| C11 | C10 | C9 | 109.1° | 109.4° |
| C11 | C10 | C28 | 112.1° | 109.5° |
| C10 | C11 | H28 | 109.0° | 109.4° |
| C10 | C11 | H29 | 109.0° | 109.5° |
| C11 | C10 | H30 | 108.9° | 109.4° |
| C1 | C2 | C3 | 114.0° | 120.0° |
| C1 | C2 | H49 | 123.0° | 120.0° |
| C12 | C13 | C14 | 123.4° | 120.0° |
| C12 | C13 | H26 | 118.3° | 120.0° |
| C13 | C12 | H27 | 120.6° | 120.0° |
| C13 | C14 | C15 | 116.4° | 120.0° |
| C13 | C14 | C29 | 121.5° | 120.0° |
| C14 | C13 | H26 | 118.3° | 120.0° |
| C16 | C15 | C14 | 123.8° | 120.0° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C15 | C16 | H18 | 108.9° | 109.5° |
| C16 | C15 | H22 | 118.1° | 120.0° |
| C15 | C14 | C29 | 122.0° | 120.0° |
| C14 | C15 | H22 | 118.1° | 120.0° |
| C9 | C8 | C7 | 121.6° | 120.0° |
| C8 | C9 | C10 | 124.6° | 120.0° |
| C8 | C9 | H34 | 117.7° | 120.0° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C8 | C7 | H40 | 119.5° | 120.0° |
| C16 | C17 | O3 | 120.2° | 120.0° |
| C16 | C17 | C18 | 118.1° | 120.0° |
| C17 | C16 | H18 | 109.0° | 109.5° |
| C9 | C10 | C28 | 108.8° | 109.5° |
| C9 | C10 | H30 | 109.1° | 109.5° |
| C10 | C9 | H34 | 117.7° | 120.0° |
| C14 | C29 | H23 | 109.5° | 109.4° |
| C14 | C29 | H24 | 109.5° | 109.5° |
| C14 | C29 | H25 | 109.5° | 109.5° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C6 | C7 | H40 | 119.5° | 120.0° |
| C7 | C6 | H41 | 119.7° | 120.0° |
| C6 | C5 | C4 | 114.2° | 109.6° |
| C5 | C6 | H41 | 119.7° | 120.0° |
| C6 | C5 | H42 | 109.0° | 109.6° |
| C28 | C10 | H30 | 108.8° | 109.5° |
| C10 | C28 | H31 | 109.5° | 109.4° |
| C10 | C28 | H32 | 109.4° | 109.5° |
| C10 | C28 | H33 | 109.5° | 109.5° |
| C5 | C4 | C25 | 113.1° | 109.3° |
| C5 | C4 | C3 | 108.5° | 110.3° |
| C4 | C5 | H42 | 108.8° | 109.6° |
| C5 | C4 | H43 | 108.4° | 109.3° |
| C2 | C3 | C4 | 114.6° | 121.8° |
| C2 | C3 | H47 | 122.7° | 119.1° |
| C3 | C2 | H49 | 123.0° | 120.0° |
| O3 | C17 | C18 | 121.6° | 120.0° |
| C17 | C18 | C31 | 107.7° | 109.5° |
| C17 | C18 | C19 | 112.9° | 109.5° |
| C17 | C18 | H14 | 108.4° | 109.5° |
| C25 | C4 | C3 | 110.0° | 109.3° |
| C25 | C4 | H43 | 108.4° | 109.2° |
| C4 | C25 | H44 | 109.5° | 109.5° |
| C4 | C25 | H45 | 109.5° | 109.5° |
| C4 | C25 | H46 | 109.5° | 109.4° |
| C3 | C4 | H43 | 108.4° | 109.3° |
| C4 | C3 | H47 | 122.7° | 119.1° |
| C31 | C18 | C19 | 111.5° | 109.5° |
| C31 | C18 | H14 | 108.2° | 109.4° |
| C18 | C31 | H15 | 109.5° | 109.5° |
| C18 | C31 | H16 | 109.5° | 109.5° |
| C18 | C31 | H17 | 109.5° | 109.5° |
| C18 | C19 | C20 | 113.4° | 109.4° |
| C18 | C19 | O4 | 110.4° | 109.5° |
| C18 | C19 | H12 | 107.9° | 109.5° |
| C19 | C18 | H14 | 108.0° | 109.5° |
| C33 | C22 | C21 | 118.9° | 120.0° |
| C33 | C22 | C23 | 121.5° | 120.0° |
| C22 | C33 | H3 | 109.5° | 109.5° |
| C22 | C33 | H4 | 109.5° | 109.5° |
| C22 | C33 | H5 | 109.4° | 109.5° |
| C20 | C19 | O4 | 108.0° | 109.4° |
| C19 | C20 | C32 | 110.6° | 109.5° |
| C19 | C20 | C21 | 112.1° | 109.5° |
| C19 | C20 | H8 | 107.9° | 109.5° |
| C20 | C19 | H12 | 107.9° | 109.5° |
| O4 | C19 | H12 | 109.2° | 109.5° |
| C19 | O4 | H13 | 109.5° | 114.1° |
| C32 | C20 | C21 | 110.1° | 109.5° |
| C32 | C20 | H8 | 108.0° | 109.4° |
| C20 | C32 | H9 | 109.5° | 109.5° |
| C20 | C32 | H10 | 109.5° | 109.5° |
| C20 | C32 | H11 | 109.5° | 109.4° |
| C20 | C21 | C22 | 110.7° | 109.5° |
| C20 | C21 | H6 | 109.2° | 109.5° |
| C20 | C21 | H7 | 109.2° | 109.5° |
| C21 | C20 | H8 | 108.0° | 109.5° |
| O5 | C24 | C23 | 122.2° | 120.0° |
| O5 | C24 | O6 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C22 | C21 | H6 | 109.2° | 109.5° |
| C22 | C21 | H7 | 109.2° | 109.4° |
| C22 | C23 | C24 | 122.8° | 120.0° |
| C22 | C23 | H2 | 118.6° | 120.0° |
| C23 | C24 | O6 | 117.8° | 120.0° |
| C24 | C23 | H2 | 118.6° | 120.0° |
| C24 | O6 | H1 | 109.5° | 117.0° |
| H3 | C33 | H4 | 109.4° | 109.5° |
| H3 | C33 | H5 | 109.5° | 109.4° |
| H4 | C33 | H5 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H9 | C32 | H10 | 109.5° | 109.5° |
| H9 | C32 | H11 | 109.5° | 109.5° |
| H10 | C32 | H11 | 109.5° | 109.4° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H15 | C31 | H17 | 109.4° | 109.4° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.4° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.4° |
| H23 | C29 | H25 | 109.4° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H31 | C28 | H33 | 109.4° | 109.4° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H37 | C27 | H39 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H44 | C25 | H45 | 109.5° | 109.4° |
| H44 | C25 | H46 | 109.4° | 109.5° |
| H45 | C25 | H46 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.4° | 179.9° |
| O1 | C1 | O2 | C5 | 167.1° | 139.2° |
| O1 | C1 | C2 | C3 | 178.9° | 170.6° |
| O1 | C1 | C2 | H49 | 1.1° | 9.4° |
| C30 | C16 | C15 | C17 | 121.3° | 120.0° |
| C30 | C16 | C15 | H18 | 118.7° | 120.0° |
| C30 | C16 | C15 | C14 | 133.6° | 125.0° |
| C30 | C16 | C17 | H18 | 119.1° | 120.0° |
| C30 | C16 | C17 | O3 | 42.1° | 95.0° |
| C30 | C16 | C17 | C18 | 136.8° | 85.0° |
| C16 | C30 | H19 | H20 | 120.0° | 120.0° |
| C16 | C30 | H19 | H21 | 120.0° | 120.0° |
| C16 | C30 | H20 | H21 | 120.0° | 120.0° |
| C30 | C16 | C15 | H22 | 46.4° | 55.1° |
| C27 | C26 | C8 | H35 | 120.6° | 120.0° |
| C27 | C26 | C8 | H36 | 120.6° | 120.0° |
| C27 | C26 | C8 | C9 | 8.4° | 94.9° |
| C27 | C26 | C8 | C7 | 172.1° | 85.0° |
| C27 | C26 | H35 | H36 | 118.0° | 120.0° |
| C26 | C27 | H37 | H38 | 120.0° | 120.1° |
| C26 | C27 | H37 | H39 | 120.0° | 120.0° |
| C26 | C27 | H38 | H39 | 120.0° | 119.9° |
| C26 | C8 | C9 | C7 | 179.5° | 180.0° |
| C26 | C8 | C9 | C10 | 179.9° | 174.9° |
| C26 | C8 | C7 | C6 | 8.2° | 5.2° |
| C26 | C8 | C9 | H34 | 0.1° | 5.0° |
| C8 | C26 | H35 | H36 | 118.0° | 120.0° |
| C8 | C26 | C27 | H37 | 180.0° | 180.0° |
| C8 | C26 | C27 | H38 | 60.0° | 60.0° |
| C8 | C26 | C27 | H39 | 60.0° | 60.0° |
| C26 | C8 | C7 | H40 | 171.8° | 174.9° |
| C1 | O2 | C5 | C6 | 169.7° | 179.6° |
| C1 | O2 | C5 | C4 | 46.6° | 60.6° |
| O2 | C1 | C2 | C3 | 0.5° | 9.4° |
| C1 | O2 | C5 | H42 | 73.3° | 59.3° |
| O2 | C1 | C2 | H49 | 179.4° | 170.7° |
| C5 | O2 | C1 | C2 | 13.5° | 40.8° |
| O2 | C5 | C6 | C7 | 118.1° | 120.8° |
| O2 | C5 | C6 | C4 | 120.4° | 119.2° |
| O2 | C5 | C6 | H42 | 117.7° | 120.4° |
| O2 | C5 | C4 | H42 | 120.8° | 120.0° |
| O2 | C5 | C4 | C25 | 56.0° | 71.7° |
| O2 | C5 | C4 | C3 | 66.3° | 48.6° |
| O2 | C5 | C6 | H41 | 61.9° | 59.3° |
| O2 | C5 | C4 | H43 | 176.1° | 168.8° |
| C12 | C11 | C10 | H28 | 120.3° | 120.0° |
| C12 | C11 | C10 | H29 | 120.3° | 120.0° |
| C11 | C12 | C13 | H27 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 178.9° | 179.9° |
| C12 | C11 | C10 | C9 | 170.6° | 175.0° |
| C12 | C11 | C10 | C28 | 68.8° | 65.0° |
| C11 | C12 | C13 | H26 | 1.1° | 0.0° |
| C12 | C11 | H28 | H29 | 119.2° | 120.0° |
| C12 | C11 | C10 | H30 | 51.6° | 55.1° |
| C10 | C11 | C12 | C13 | 132.0° | 125.0° |
| C11 | C10 | C9 | C8 | 116.2° | 125.1° |
| C11 | C10 | C9 | C28 | 122.6° | 120.0° |
| C11 | C10 | C9 | H30 | 118.9° | 119.9° |
| C11 | C10 | C28 | H30 | 120.5° | 120.0° |
| C10 | C11 | C12 | H27 | 48.0° | 55.0° |
| C10 | C11 | H28 | H29 | 119.2° | 120.0° |
| C11 | C10 | C28 | H31 | 180.0° | 60.0° |
| C11 | C10 | C28 | H32 | 60.0° | 180.0° |
| C11 | C10 | C28 | H33 | 60.0° | 59.9° |
| C11 | C10 | C9 | H34 | 63.8° | 55.0° |
| C1 | C2 | C3 | H49 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 20.2° | 0.4° |
| C1 | C2 | C3 | H47 | 159.8° | 179.6° |
| C12 | C13 | C14 | H26 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 175.3° | 180.0° |
| C12 | C13 | C14 | C29 | 3.4° | 0.1° |
| C13 | C12 | C11 | H28 | 11.7° | 115.0° |
| C13 | C12 | C11 | H29 | 107.7° | 5.0° |
| C13 | C14 | C15 | C16 | 179.2° | 175.5° |
| C13 | C14 | C15 | C29 | 178.7° | 179.9° |
| C13 | C14 | C15 | H22 | 0.8° | 4.6° |
| C13 | C14 | C29 | H23 | 180.0° | 86.2° |
| C13 | C14 | C29 | H24 | 60.0° | 33.7° |
| C13 | C14 | C29 | H25 | 60.0° | 153.8° |
| C14 | C13 | C12 | H27 | 1.1° | 0.1° |
| C16 | C15 | C14 | H22 | 180.0° | 179.9° |
| C15 | C16 | C17 | H18 | 120.0° | 120.0° |
| C16 | C15 | C14 | C29 | 0.5° | 4.4° |
| C15 | C16 | C17 | O3 | 78.8° | 25.0° |
| C15 | C16 | C17 | C18 | 102.2° | 155.0° |
| C15 | C16 | C30 | H19 | 180.0° | 180.0° |
| C15 | C16 | C30 | H20 | 60.0° | 60.0° |
| C15 | C16 | C30 | H21 | 60.0° | 60.0° |
| C14 | C15 | C16 | C17 | 105.1° | 115.0° |
| C14 | C15 | C16 | H18 | 14.9° | 5.0° |
| C15 | C14 | C29 | H23 | 1.3° | 93.9° |
| C15 | C14 | C29 | H24 | 121.3° | 146.1° |
| C15 | C14 | C29 | H25 | 118.7° | 26.1° |
| C15 | C14 | C13 | H26 | 4.7° | 0.1° |
| C8 | C9 | C10 | H34 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 171.4° | 174.8° |
| C8 | C9 | C10 | C28 | 121.3° | 114.8° |
| C8 | C9 | C10 | H30 | 2.7° | 5.2° |
| C9 | C8 | C26 | H35 | 112.3° | 145.0° |
| C9 | C8 | C26 | H36 | 129.0° | 25.0° |
| C9 | C8 | C7 | H40 | 8.7° | 5.2° |
| C7 | C8 | C9 | C10 | 0.4° | 5.2° |
| C8 | C7 | C6 | H40 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 179.1° | 180.0° |
| C7 | C8 | C9 | H34 | 179.6° | 174.9° |
| C7 | C8 | C26 | H35 | 67.3° | 35.0° |
| C7 | C8 | C26 | H36 | 51.5° | 155.0° |
| C8 | C7 | C6 | H41 | 0.9° | 0.1° |
| C16 | C17 | O3 | C18 | 178.9° | 180.0° |
| C16 | C17 | C18 | C31 | 81.0° | 90.0° |
| C16 | C17 | C18 | C19 | 155.5° | 150.0° |
| C16 | C17 | C18 | H14 | 35.8° | 30.0° |
| C17 | C16 | C30 | H19 | 58.0° | 60.0° |
| C17 | C16 | C30 | H20 | 178.0° | 180.0° |
| C17 | C16 | C30 | H21 | 62.0° | 60.0° |
| C17 | C16 | C15 | H22 | 74.9° | 64.9° |
| C9 | C10 | C28 | H30 | 118.7° | 120.0° |
| C9 | C10 | C11 | H28 | 69.1° | 65.0° |
| C9 | C10 | C11 | H29 | 50.3° | 55.0° |
| C9 | C10 | C28 | H31 | 59.2° | 60.0° |
| C9 | C10 | C28 | H32 | 179.2° | 60.0° |
| C9 | C10 | C28 | H33 | 60.8° | 179.9° |
| C29 | C14 | C15 | H22 | 179.5° | 175.6° |
| C14 | C29 | H23 | H24 | 120.0° | 120.0° |
| C14 | C29 | H23 | H25 | 120.0° | 120.0° |
| C14 | C29 | H24 | H25 | 120.0° | 120.1° |
| C29 | C14 | C13 | H26 | 176.6° | 179.9° |
| C7 | C6 | C5 | H41 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 121.5° | 120.0° |
| C7 | C6 | C5 | H42 | 0.4° | 0.4° |
| C6 | C5 | C4 | H42 | 122.0° | 120.3° |
| C6 | C5 | C4 | C25 | 61.2° | 48.1° |
| C6 | C5 | C4 | C3 | 176.5° | 168.3° |
| C5 | C6 | C7 | H40 | 0.8° | 0.1° |
| C6 | C5 | C4 | H43 | 58.9° | 71.4° |
| C28 | C10 | C11 | H28 | 51.5° | 55.0° |
| C28 | C10 | C11 | H29 | 170.9° | 175.0° |
| C10 | C28 | H31 | H32 | 120.0° | 120.0° |
| C10 | C28 | H31 | H33 | 120.0° | 120.0° |
| C10 | C28 | H32 | H33 | 120.0° | 120.0° |
| C28 | C10 | C9 | H34 | 58.8° | 65.1° |
| C5 | C4 | C3 | C2 | 52.7° | 21.0° |
| C5 | C4 | C25 | C3 | 121.5° | 120.9° |
| C5 | C4 | C25 | H43 | 120.2° | 119.6° |
| C5 | C4 | C3 | H43 | 117.5° | 120.3° |
| C4 | C5 | C6 | H41 | 58.5° | 59.9° |
| C5 | C4 | C25 | H44 | 180.0° | 60.0° |
| C5 | C4 | C25 | H45 | 60.0° | 180.0° |
| C5 | C4 | C25 | H46 | 60.0° | 60.1° |
| C5 | C4 | C3 | H47 | 127.3° | 159.0° |
| C2 | C3 | C4 | C25 | 71.5° | 99.2° |
| C2 | C3 | C4 | H47 | 180.0° | 180.0° |
| C2 | C3 | C4 | H43 | 170.2° | 141.3° |
| O3 | C17 | C18 | C31 | 98.0° | 90.1° |
| O3 | C17 | C18 | C19 | 25.6° | 30.0° |
| O3 | C17 | C18 | H14 | 145.2° | 150.0° |
| O3 | C17 | C16 | H18 | 161.2° | 145.0° |
| C17 | C18 | C31 | C19 | 124.4° | 120.0° |
| C17 | C18 | C31 | H14 | 116.9° | 120.0° |
| C17 | C18 | C19 | H14 | 119.8° | 120.0° |
| C17 | C18 | C19 | C20 | 70.4° | 65.1° |
| C17 | C18 | C19 | O4 | 168.3° | 174.9° |
| C17 | C18 | C19 | H12 | 49.0° | 54.9° |
| C17 | C18 | C31 | H15 | 180.0° | 175.0° |
| C17 | C18 | C31 | H16 | 60.0° | 55.0° |
| C17 | C18 | C31 | H17 | 60.0° | 65.0° |
| C18 | C17 | C16 | H18 | 17.7° | 35.0° |
| C25 | C4 | C3 | H43 | 118.3° | 119.5° |
| C25 | C4 | C5 | H42 | 176.8° | 168.3° |
| C4 | C25 | H44 | H45 | 120.0° | 120.0° |
| C4 | C25 | H44 | H46 | 120.0° | 120.0° |
| C4 | C25 | H45 | H46 | 120.0° | 119.9° |
| C25 | C4 | C3 | H47 | 108.5° | 80.8° |
| C3 | C4 | C5 | H42 | 54.5° | 71.4° |
| C3 | C4 | C25 | H44 | 58.5° | 60.9° |
| C3 | C4 | C25 | H45 | 178.5° | 59.1° |
| C3 | C4 | C25 | H46 | 61.5° | 179.1° |
| C4 | C3 | C2 | H49 | 159.8° | 179.7° |
| C31 | C18 | C19 | H14 | 118.8° | 120.0° |
| C31 | C18 | C19 | C20 | 168.2° | 174.9° |
| C31 | C18 | C19 | O4 | 46.9° | 54.9° |
| C31 | C18 | C19 | H12 | 72.4° | 65.1° |
| C18 | C31 | H15 | H16 | 120.0° | 120.0° |
| C18 | C31 | H15 | H17 | 120.0° | 120.0° |
| C18 | C31 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | C20 | O4 | 122.6° | 120.0° |
| C18 | C19 | C20 | H12 | 119.4° | 120.0° |
| C18 | C19 | O4 | H12 | 118.4° | 120.0° |
| C18 | C19 | C20 | C32 | 66.0° | 64.9° |
| C18 | C19 | C20 | C21 | 170.7° | 175.1° |
| C18 | C19 | C20 | H8 | 51.9° | 55.1° |
| C18 | C19 | O4 | H13 | 180.0° | 59.9° |
| C19 | C18 | C31 | H15 | 55.6° | 65.0° |
| C19 | C18 | C31 | H16 | 175.6° | 175.0° |
| C19 | C18 | C31 | H17 | 64.4° | 55.0° |
| C33 | C22 | C21 | C20 | 64.6° | 85.0° |
| C33 | C22 | C21 | C23 | 178.2° | 180.0° |
| C33 | C22 | C23 | C24 | 2.9° | 7.1° |
| C33 | C22 | C23 | H2 | 177.1° | 172.9° |
| C22 | C33 | H3 | H4 | 120.0° | 120.0° |
| C22 | C33 | H3 | H5 | 120.0° | 120.1° |
| C22 | C33 | H4 | H5 | 120.0° | 120.0° |
| C33 | C22 | C21 | H6 | 55.6° | 35.0° |
| C33 | C22 | C21 | H7 | 175.2° | 155.1° |
| C20 | C19 | O4 | H12 | 117.1° | 120.0° |
| C19 | C20 | C32 | C21 | 124.4° | 120.0° |
| C19 | C20 | C32 | H8 | 117.9° | 120.0° |
| C19 | C20 | C21 | H8 | 118.8° | 120.0° |
| C19 | C20 | C21 | C22 | 57.2° | 175.0° |
| C19 | C20 | C21 | H6 | 177.4° | 55.0° |
| C19 | C20 | C21 | H7 | 63.0° | 65.0° |
| C19 | C20 | C32 | H9 | 180.0° | 64.7° |
| C19 | C20 | C32 | H10 | 60.0° | 55.3° |
| C19 | C20 | C32 | H11 | 60.0° | 175.2° |
| C20 | C19 | O4 | H13 | 55.6° | 60.0° |
| C20 | C19 | C18 | H14 | 49.4° | 54.9° |
| O4 | C19 | C20 | C32 | 56.6° | 55.1° |
| O4 | C19 | C20 | C21 | 66.6° | 64.9° |
| O4 | C19 | C20 | H8 | 174.5° | 175.1° |
| O4 | C19 | C18 | H14 | 71.9° | 65.0° |
| C32 | C20 | C21 | H8 | 117.7° | 120.0° |
| C32 | C20 | C21 | C22 | 179.3° | 65.0° |
| C32 | C20 | C21 | H6 | 59.1° | 175.0° |
| C32 | C20 | C21 | H7 | 60.5° | 55.0° |
| C20 | C32 | H9 | H10 | 120.0° | 120.0° |
| C20 | C32 | H9 | H11 | 120.0° | 120.0° |
| C20 | C32 | H10 | H11 | 120.0° | 119.9° |
| C32 | C20 | C19 | H12 | 174.5° | 175.1° |
| C20 | C21 | C22 | H6 | 120.2° | 120.0° |
| C20 | C21 | C22 | H7 | 120.2° | 120.0° |
| C20 | C21 | C22 | C23 | 113.5° | 95.0° |
| C20 | C21 | H6 | H7 | 119.4° | 120.0° |
| C21 | C20 | C32 | H9 | 55.6° | 175.3° |
| C21 | C20 | C32 | H10 | 175.6° | 64.7° |
| C21 | C20 | C32 | H11 | 64.4° | 55.2° |
| C21 | C20 | C19 | H12 | 51.3° | 55.1° |
| O5 | C24 | C23 | C22 | 7.4° | 4.2° |
| O5 | C24 | C23 | O6 | 177.5° | 180.0° |
| O5 | C24 | O6 | H1 | 0.0° | 0.0° |
| O5 | C24 | C23 | H2 | 172.6° | 175.8° |
| C21 | C22 | C23 | C24 | 179.0° | 172.8° |
| C21 | C22 | C23 | H2 | 1.0° | 7.2° |
| C21 | C22 | C33 | H3 | 180.0° | 95.3° |
| C21 | C22 | C33 | H4 | 60.0° | 144.6° |
| C21 | C22 | C33 | H5 | 60.0° | 24.7° |
| C22 | C21 | H6 | H7 | 119.4° | 120.0° |
| C22 | C21 | C20 | H8 | 61.6° | 55.0° |
| C22 | C23 | C24 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | O6 | 170.1° | 175.8° |
| C23 | C22 | C33 | H3 | 1.9° | 84.7° |
| C23 | C22 | C33 | H4 | 118.1° | 35.4° |
| C23 | C22 | C33 | H5 | 121.9° | 155.3° |
| C23 | C22 | C21 | H6 | 126.3° | 145.0° |
| C23 | C22 | C21 | H7 | 6.7° | 25.0° |
| C23 | C24 | O6 | H1 | 177.5° | 180.0° |
| O6 | C24 | C23 | H2 | 9.9° | 4.2° |
| H3 | C33 | H4 | H5 | 120.0° | 119.9° |
| H6 | C21 | C20 | H8 | 58.6° | 65.0° |
| H7 | C21 | C20 | H8 | 178.2° | 174.9° |
| H8 | C20 | C32 | H9 | 62.1° | 55.3° |
| H8 | C20 | C32 | H10 | 57.9° | 175.3° |
| H8 | C20 | C32 | H11 | 177.9° | 64.8° |
| H8 | C20 | C19 | H12 | 67.5° | 64.9° |
| H9 | C32 | H10 | H11 | 120.0° | 120.0° |
| H12 | C19 | O4 | H13 | 61.5° | 179.9° |
| H12 | C19 | C18 | H14 | 168.9° | 175.0° |
| H14 | C18 | C31 | H15 | 63.1° | 55.0° |
| H14 | C18 | C31 | H16 | 56.9° | 65.0° |
| H14 | C18 | C31 | H17 | 177.0° | 175.0° |
| H15 | C31 | H16 | H17 | 120.0° | 119.9° |
| H18 | C16 | C30 | H19 | 61.2° | 60.0° |
| H18 | C16 | C30 | H20 | 58.8° | 60.0° |
| H18 | C16 | C30 | H21 | 178.8° | 180.0° |
| H18 | C16 | C15 | H22 | 165.1° | 175.1° |
| H19 | C30 | H20 | H21 | 120.0° | 120.0° |
| H23 | C29 | H24 | H25 | 119.9° | 120.0° |
| H26 | C13 | C12 | H27 | 178.9° | 180.0° |
| H27 | C12 | C11 | H28 | 168.3° | 65.0° |
| H27 | C12 | C11 | H29 | 72.3° | 175.0° |
| H28 | C11 | C10 | H30 | 171.9° | 175.0° |
| H29 | C11 | C10 | H30 | 68.6° | 65.0° |
| H30 | C10 | C28 | H31 | 59.5° | 180.0° |
| H30 | C10 | C28 | H32 | 60.5° | 60.0° |
| H30 | C10 | C28 | H33 | 179.5° | 60.0° |
| H30 | C10 | C9 | H34 | 177.3° | 174.9° |
| H31 | C28 | H32 | H33 | 120.0° | 120.0° |
| H35 | C26 | C27 | H37 | 59.4° | 59.9° |
| H35 | C26 | C27 | H38 | 60.6° | 180.0° |
| H35 | C26 | C27 | H39 | 179.4° | 60.1° |
| H36 | C26 | C27 | H37 | 59.3° | 60.1° |
| H36 | C26 | C27 | H38 | 179.4° | 60.0° |
| H36 | C26 | C27 | H39 | 60.6° | 179.9° |
| H37 | C27 | H38 | H39 | 120.0° | 120.0° |
| H40 | C7 | C6 | H41 | 179.1° | 179.9° |
| H41 | C6 | C5 | H42 | 179.6° | 179.8° |
| H42 | C5 | C4 | H43 | 63.1° | 48.8° |
| H43 | C4 | C25 | H44 | 59.8° | 179.6° |
| H43 | C4 | C25 | H45 | 60.2° | 60.4° |
| H43 | C4 | C25 | H46 | 179.8° | 59.5° |
| H43 | C4 | C3 | H47 | 9.8° | 38.7° |
| H44 | C25 | H45 | H46 | 120.0° | 120.0° |
| H47 | C3 | C2 | H49 | 20.2° | 0.3° |
