B2B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.55Å | |
| C1 | O1 | sing | 1.35Å | 1.32Å | |
| C2 | C5 | sing | 1.51Å | 1.52Å | |
| O2 | C1 | doub | 1.21Å | 1.35Å | |
| C3 | C2 | doub | 1.34Å | 1.41Å | |
| C3 | C6 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | sing | 1.48Å | 1.54Å | |
| C4 | O3 | sing | 1.35Å | 1.32Å | |
| O4 | C8 | sing | 1.34Å | 1.37Å | |
| O4 | C9 | sing | 1.45Å | 1.42Å | |
| O5 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| O7 | C11 | sing | 1.43Å | 1.43Å | |
| C8 | O6 | doub | 1.21Å | 1.22Å | |
| O8 | C13 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.57Å | |
| O9 | C15 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| O13 | C4 | doub | 1.21Å | 1.35Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C23 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C25 | sing | 1.53Å | 1.55Å | |
| C20 | C26 | sing | 1.53Å | 1.57Å | |
| C21 | C9 | sing | 1.53Å | 1.54Å | |
| C22 | C10 | sing | 1.53Å | 1.57Å | |
| C24 | C18 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | doub | 1.33Å | 1.36Å | |
| C29 | C30 | sing | 1.46Å | 1.48Å | |
| C30 | C31 | doub | 1.35Å | 1.36Å | |
| C31 | C34 | sing | 1.42Å | 1.49Å | |
| C32 | C29 | sing | 1.51Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C34 | O11 | sing | 1.35Å | 1.22Å | |
| C34 | O12 | doub | 1.22Å | 1.35Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 119.2° | 120.0° |
| C1 | C2 | C5 | 112.8° | 120.0° |
| C2 | C1 | O2 | 124.9° | 120.0° |
| C1 | C2 | C3 | 123.1° | 120.0° |
| O1 | C1 | O2 | 115.9° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| C5 | C2 | C3 | 124.1° | 120.0° |
| C2 | C5 | H5 | 109.5° | 109.5° |
| C2 | C5 | H5A | 109.5° | 109.5° |
| C2 | C5 | H5B | 109.4° | 109.5° |
| C2 | C3 | C6 | 123.7° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C6 | C3 | C4 | 115.9° | 120.0° |
| C3 | C6 | O5 | 107.6° | 109.5° |
| C3 | C6 | C7 | 115.7° | 109.5° |
| C3 | C6 | H6 | 106.3° | 109.5° |
| C3 | C4 | O3 | 119.8° | 120.0° |
| C3 | C4 | O13 | 122.0° | 120.0° |
| O3 | C4 | O13 | 118.1° | 120.0° |
| C4 | O3 | HO3 | 109.5° | 117.0° |
| C8 | O4 | C9 | 121.2° | 117.0° |
| O4 | C8 | C7 | 110.6° | 120.0° |
| O4 | C8 | O6 | 125.9° | 120.0° |
| O4 | C9 | C10 | 110.8° | 109.5° |
| O4 | C9 | C21 | 105.7° | 109.5° |
| O4 | C9 | H9 | 114.3° | 109.4° |
| O5 | C6 | C7 | 109.0° | 109.5° |
| C6 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C6 | H6 | 113.4° | 109.4° |
| C6 | C7 | C8 | 115.4° | 109.5° |
| C7 | C6 | H6 | 104.9° | 109.4° |
| C6 | C7 | H7 | 107.5° | 109.5° |
| C6 | C7 | H7A | 107.6° | 109.4° |
| C7 | C8 | O6 | 123.5° | 120.0° |
| C8 | C7 | H7 | 107.6° | 109.5° |
| C8 | C7 | H7A | 107.6° | 109.5° |
| O7 | C11 | C10 | 111.1° | 109.5° |
| O7 | C11 | C12 | 108.1° | 109.5° |
| C11 | O7 | HO7 | 109.5° | 114.0° |
| O7 | C11 | H11 | 110.6° | 109.5° |
| O8 | C13 | C12 | 118.9° | 120.0° |
| O8 | C13 | C14 | 118.6° | 120.0° |
| C9 | C10 | C11 | 112.1° | 109.5° |
| C10 | C9 | C21 | 117.5° | 109.5° |
| C9 | C10 | C22 | 113.2° | 109.5° |
| C10 | C9 | H9 | 101.6° | 109.5° |
| C9 | C10 | H10 | 105.3° | 109.5° |
| O9 | C15 | C14 | 110.7° | 109.4° |
| O9 | C15 | C16 | 108.2° | 109.5° |
| C15 | O9 | HO9 | 109.5° | 114.0° |
| O9 | C15 | H15 | 110.7° | 109.5° |
| C10 | C11 | C12 | 113.1° | 109.5° |
| C11 | C10 | C22 | 110.8° | 109.4° |
| C11 | C10 | H10 | 108.1° | 109.5° |
| C10 | C11 | H11 | 105.4° | 109.4° |
| C11 | C12 | C13 | 114.5° | 109.5° |
| C12 | C11 | H11 | 108.6° | 109.4° |
| C11 | C12 | H12 | 107.8° | 109.5° |
| C11 | C12 | H12A | 107.8° | 109.4° |
| C12 | C13 | C14 | 122.5° | 120.0° |
| C13 | C12 | H12 | 107.8° | 109.5° |
| C13 | C12 | H12A | 107.8° | 109.5° |
| C13 | C14 | C15 | 116.6° | 109.5° |
| C13 | C14 | C23 | 109.8° | 109.5° |
| C13 | C14 | H14 | 104.5° | 109.5° |
| C15 | C14 | C23 | 110.4° | 109.4° |
| C14 | C15 | C16 | 112.8° | 109.5° |
| C15 | C14 | H14 | 103.8° | 109.5° |
| C14 | C15 | H15 | 105.9° | 109.4° |
| C23 | C14 | H14 | 111.4° | 109.5° |
| C14 | C23 | H23 | 109.5° | 109.5° |
| C14 | C23 | H23A | 109.5° | 109.4° |
| C14 | C23 | H23B | 109.5° | 109.5° |
| C15 | C16 | C17 | 115.3° | 109.5° |
| C16 | C15 | H15 | 108.5° | 109.5° |
| C15 | C16 | H16 | 107.6° | 109.5° |
| C15 | C16 | H16A | 107.5° | 109.5° |
| C16 | C17 | C18 | 115.8° | 109.5° |
| C17 | C16 | H16 | 107.6° | 109.5° |
| C17 | C16 | H16A | 107.6° | 109.5° |
| C16 | C17 | H17 | 107.4° | 109.5° |
| C16 | C17 | H17A | 107.4° | 109.4° |
| C17 | C18 | C19 | 114.8° | 109.4° |
| C17 | C18 | C24 | 110.2° | 109.5° |
| C18 | C17 | H17 | 107.4° | 109.5° |
| C18 | C17 | H17A | 107.4° | 109.5° |
| C17 | C18 | H18 | 105.1° | 109.5° |
| C18 | C19 | C20 | 115.5° | 109.5° |
| C19 | C18 | C24 | 109.3° | 109.4° |
| C19 | C18 | H18 | 106.1° | 109.5° |
| C18 | C19 | H19 | 107.5° | 109.5° |
| C18 | C19 | H19A | 107.5° | 109.5° |
| C19 | C20 | C25 | 112.0° | 109.5° |
| C19 | C20 | C26 | 110.0° | 109.5° |
| C20 | C19 | H19 | 107.5° | 109.5° |
| C20 | C19 | H19A | 107.5° | 109.5° |
| C19 | C20 | H20 | 107.8° | 109.5° |
| C25 | C20 | C26 | 110.7° | 109.4° |
| C25 | C20 | H20 | 107.0° | 109.5° |
| C20 | C25 | H25 | 109.5° | 109.5° |
| C20 | C25 | H25A | 109.4° | 109.5° |
| C20 | C25 | H25B | 109.5° | 109.5° |
| C20 | C26 | C27 | 116.1° | 109.5° |
| C26 | C20 | H20 | 109.1° | 109.5° |
| C20 | C26 | H26 | 107.3° | 109.5° |
| C20 | C26 | H26A | 107.3° | 109.4° |
| C21 | C9 | H9 | 107.1° | 109.4° |
| C9 | C21 | H21 | 109.5° | 109.5° |
| C9 | C21 | H21A | 109.5° | 109.5° |
| C9 | C21 | H21B | 109.4° | 109.4° |
| C22 | C10 | H10 | 106.8° | 109.5° |
| C10 | C22 | H22 | 109.5° | 109.5° |
| C10 | C22 | H22A | 109.5° | 109.4° |
| C10 | C22 | H22B | 109.5° | 109.5° |
| C24 | C18 | H18 | 111.2° | 109.5° |
| C18 | C24 | H24 | 109.5° | 109.4° |
| C18 | C24 | H24A | 109.5° | 109.5° |
| C18 | C24 | H24B | 109.5° | 109.5° |
| C26 | C27 | C28 | 111.7° | 109.4° |
| C27 | C26 | H26 | 107.3° | 109.5° |
| C27 | C26 | H26A | 107.3° | 109.5° |
| C26 | C27 | H27 | 108.7° | 109.5° |
| C26 | C27 | H27A | 108.7° | 109.4° |
| C27 | C28 | C29 | 131.0° | 120.0° |
| C28 | C27 | H27 | 108.7° | 109.5° |
| C28 | C27 | H27A | 108.7° | 109.5° |
| C27 | C28 | H28 | 114.5° | 120.1° |
| C28 | C29 | C30 | 114.4° | 120.0° |
| C28 | C29 | C32 | 127.4° | 120.0° |
| C29 | C28 | H28 | 114.5° | 120.0° |
| C29 | C30 | C31 | 125.7° | 120.0° |
| C30 | C29 | C32 | 118.2° | 120.0° |
| C29 | C30 | H30 | 117.1° | 120.0° |
| C30 | C31 | C34 | 122.4° | 120.0° |
| C31 | C30 | H30 | 117.2° | 120.0° |
| C30 | C31 | H31 | 118.8° | 120.0° |
| C31 | C34 | O11 | 119.4° | 120.0° |
| C31 | C34 | O12 | 123.7° | 119.9° |
| C34 | C31 | H31 | 118.8° | 120.0° |
| C29 | C32 | C33 | 122.3° | 109.5° |
| C29 | C32 | H32 | 105.4° | 109.5° |
| C29 | C32 | H51 | 105.4° | 109.5° |
| C33 | C32 | H32 | 105.4° | 109.4° |
| C33 | C32 | H51 | 105.4° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H33A | 109.5° | 109.4° |
| C32 | C33 | H54 | 109.5° | 109.4° |
| O11 | C34 | O12 | 116.9° | 120.1° |
| C34 | O11 | HO11 | 109.5° | 114.0° |
| H5 | C5 | H5A | 109.4° | 109.4° |
| H5 | C5 | H5B | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H7 | C7 | H7A | 111.3° | 109.4° |
| H12 | C12 | H12A | 111.0° | 109.5° |
| H16 | C16 | H16A | 111.3° | 109.5° |
| H17 | C17 | H17A | 111.4° | 109.5° |
| H19 | C19 | H19A | 111.4° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.4° |
| H24A | C24 | H24B | 109.4° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.4° |
| H25A | C25 | H25B | 109.5° | 109.4° |
| H26 | C26 | H26A | 111.5° | 109.5° |
| H27 | C27 | H27A | 110.2° | 109.5° |
| H32 | C32 | H51 | 113.2° | 109.5° |
| H33 | C33 | H33A | 109.4° | 109.5° |
| H33 | C33 | H54 | 109.5° | 109.5° |
| H33A | C33 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.4° | 179.8° |
| C1 | C2 | C5 | C3 | 179.8° | 180.0° |
| C1 | C2 | C3 | C6 | 179.6° | 175.0° |
| C1 | C2 | C3 | C4 | 0.2° | 5.1° |
| C2 | C1 | O1 | HO1 | 179.4° | 180.0° |
| C1 | C2 | C5 | H5 | 180.0° | 4.2° |
| C1 | C2 | C5 | H5A | 60.0° | 124.2° |
| C1 | C2 | C5 | H5B | 60.0° | 115.8° |
| O1 | C1 | C2 | C5 | 68.7° | 103.5° |
| O1 | C1 | C2 | C3 | 111.1° | 76.5° |
| C5 | C2 | C1 | O2 | 110.7° | 76.7° |
| C5 | C2 | C3 | C6 | 0.2° | 5.0° |
| C5 | C2 | C3 | C4 | 180.0° | 174.9° |
| C2 | C5 | H5 | H5A | 120.0° | 120.0° |
| C2 | C5 | H5 | H5B | 120.0° | 120.0° |
| C2 | C5 | H5A | H5B | 120.0° | 120.1° |
| O2 | C1 | C2 | C3 | 69.5° | 103.3° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.2° |
| C2 | C3 | C6 | C4 | 179.8° | 179.9° |
| C2 | C3 | C4 | O3 | 102.8° | 176.5° |
| C2 | C3 | C6 | O5 | 121.7° | 123.2° |
| C2 | C3 | C6 | C7 | 116.0° | 116.8° |
| C2 | C3 | C4 | O13 | 77.9° | 3.4° |
| C3 | C2 | C5 | H5 | 0.2° | 175.8° |
| C3 | C2 | C5 | H5A | 120.2° | 55.8° |
| C3 | C2 | C5 | H5B | 119.8° | 64.3° |
| C2 | C3 | C6 | H6 | 0.0° | 3.2° |
| C6 | C3 | C4 | O3 | 77.1° | 3.5° |
| C3 | C6 | O5 | C7 | 126.3° | 120.0° |
| C3 | C6 | O5 | H6 | 117.3° | 120.0° |
| C3 | C6 | C7 | H6 | 116.8° | 120.0° |
| C3 | C6 | C7 | C8 | 176.3° | 175.0° |
| C6 | C3 | C4 | O13 | 102.3° | 176.5° |
| C3 | C6 | O5 | HO5 | 180.0° | 60.0° |
| C3 | C6 | C7 | H7 | 56.2° | 54.9° |
| C3 | C6 | C7 | H7A | 63.7° | 65.0° |
| C3 | C4 | O3 | O13 | 179.4° | 179.9° |
| C4 | C3 | C6 | O5 | 58.4° | 56.8° |
| C4 | C3 | C6 | C7 | 63.8° | 63.3° |
| C3 | C4 | O3 | HO3 | 179.3° | 180.0° |
| C4 | C3 | C6 | H6 | 179.8° | 176.8° |
| O4 | C8 | C7 | C6 | 98.7° | 180.0° |
| O4 | C8 | C7 | O6 | 179.4° | 180.0° |
| C8 | O4 | C9 | C10 | 75.6° | 150.0° |
| C8 | O4 | C9 | C21 | 156.0° | 90.0° |
| O4 | C8 | C7 | H7 | 141.3° | 60.0° |
| O4 | C8 | C7 | H7A | 21.4° | 60.0° |
| C8 | O4 | C9 | H9 | 38.5° | 30.0° |
| C9 | O4 | C8 | C7 | 145.2° | 180.0° |
| C9 | O4 | C8 | O6 | 34.2° | 0.0° |
| O4 | C9 | C10 | C21 | 121.7° | 120.0° |
| O4 | C9 | C10 | H9 | 121.9° | 120.0° |
| O4 | C9 | C10 | C11 | 150.0° | 60.0° |
| O4 | C9 | C21 | H9 | 122.3° | 120.0° |
| O4 | C9 | C10 | C22 | 83.8° | 60.0° |
| O4 | C9 | C10 | H10 | 32.6° | 180.0° |
| O4 | C9 | C21 | H21 | 180.0° | 59.9° |
| O4 | C9 | C21 | H21A | 60.0° | 180.0° |
| O4 | C9 | C21 | H21B | 60.0° | 60.0° |
| O5 | C6 | C7 | H6 | 121.7° | 120.0° |
| O5 | C6 | C7 | C8 | 62.3° | 65.0° |
| O5 | C6 | C7 | H7 | 177.7° | 175.0° |
| O5 | C6 | C7 | H7A | 57.7° | 55.1° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | C8 | O6 | 82.0° | 0.0° |
| C7 | C6 | O5 | HO5 | 53.8° | 60.0° |
| C6 | C7 | H7 | H7A | 117.6° | 119.9° |
| C8 | C7 | C6 | H6 | 59.5° | 55.0° |
| C8 | C7 | H7 | H7A | 117.6° | 120.0° |
| O7 | C11 | C10 | C9 | 84.3° | 60.0° |
| O7 | C11 | C10 | C12 | 121.7° | 120.0° |
| O7 | C11 | C10 | H11 | 119.9° | 120.0° |
| O7 | C11 | C12 | H11 | 120.0° | 120.0° |
| O7 | C11 | C12 | C13 | 72.9° | 65.0° |
| O7 | C11 | C10 | C22 | 43.3° | 60.0° |
| O7 | C11 | C10 | H10 | 160.0° | 179.9° |
| O7 | C11 | C12 | H12 | 167.1° | 175.0° |
| O7 | C11 | C12 | H12A | 47.1° | 55.0° |
| O6 | C8 | C7 | H7 | 38.0° | 120.0° |
| O6 | C8 | C7 | H7A | 158.0° | 120.0° |
| O8 | C13 | C12 | C11 | 23.3° | 0.0° |
| O8 | C13 | C12 | C14 | 179.2° | 180.0° |
| O8 | C13 | C14 | C15 | 160.1° | 30.0° |
| O8 | C13 | C14 | C23 | 73.4° | 89.9° |
| O8 | C13 | C12 | H12 | 143.3° | 120.0° |
| O8 | C13 | C12 | H12A | 96.8° | 119.9° |
| O8 | C13 | C14 | H14 | 46.2° | 150.0° |
| C9 | C10 | C11 | C22 | 127.6° | 120.0° |
| C9 | C10 | C11 | H10 | 115.7° | 120.1° |
| C9 | C10 | C11 | C12 | 154.0° | 180.0° |
| C10 | C9 | C21 | H9 | 113.4° | 120.0° |
| C9 | C10 | C22 | H10 | 115.5° | 120.1° |
| C9 | C10 | C11 | H11 | 35.6° | 60.0° |
| C10 | C9 | C21 | H21 | 55.7° | 180.0° |
| C10 | C9 | C21 | H21A | 64.3° | 59.9° |
| C10 | C9 | C21 | H21B | 175.7° | 60.0° |
| C9 | C10 | C22 | H22 | 180.0° | 180.0° |
| C9 | C10 | C22 | H22A | 60.0° | 60.0° |
| C9 | C10 | C22 | H22B | 60.0° | 60.0° |
| O9 | C15 | C14 | C13 | 38.3° | 60.0° |
| O9 | C15 | C14 | C16 | 121.4° | 120.0° |
| O9 | C15 | C14 | H15 | 120.0° | 120.0° |
| O9 | C15 | C14 | C23 | 164.5° | 179.9° |
| O9 | C15 | C16 | H15 | 120.2° | 120.0° |
| O9 | C15 | C16 | C17 | 36.6° | 65.0° |
| O9 | C15 | C14 | H14 | 76.0° | 60.0° |
| O9 | C15 | C16 | H16 | 156.6° | 55.0° |
| O9 | C15 | C16 | H16A | 83.4° | 175.0° |
| C10 | C11 | C12 | H11 | 116.6° | 119.9° |
| C10 | C11 | C12 | C13 | 163.7° | 175.0° |
| C11 | C10 | C9 | C21 | 88.4° | 60.1° |
| C11 | C10 | C22 | H10 | 117.5° | 120.0° |
| C10 | C11 | O7 | HO7 | 174.3° | 60.0° |
| C11 | C10 | C9 | H9 | 28.1° | 180.0° |
| C10 | C11 | C12 | H12 | 43.7° | 54.9° |
| C10 | C11 | C12 | H12A | 76.3° | 65.0° |
| C11 | C10 | C22 | H22 | 53.1° | 60.0° |
| C11 | C10 | C22 | H22A | 173.1° | 180.0° |
| C11 | C10 | C22 | H22B | 66.9° | 60.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.1° |
| C11 | C12 | C13 | H12A | 120.0° | 119.9° |
| C11 | C12 | C13 | C14 | 157.5° | 180.0° |
| C12 | C11 | C10 | C22 | 78.4° | 60.1° |
| C12 | C11 | O7 | HO7 | 49.7° | 60.0° |
| C12 | C11 | C10 | H10 | 38.3° | 59.9° |
| C11 | C12 | H12 | H12A | 117.9° | 119.9° |
| C12 | C13 | C14 | C15 | 19.2° | 150.0° |
| C12 | C13 | C14 | C23 | 107.3° | 90.0° |
| C13 | C12 | C11 | H11 | 47.1° | 55.0° |
| C13 | C12 | H12 | H12A | 117.9° | 120.0° |
| C12 | C13 | C14 | H14 | 133.0° | 30.0° |
| C13 | C14 | C15 | C23 | 126.2° | 120.0° |
| C13 | C14 | C15 | H14 | 114.3° | 120.0° |
| C13 | C14 | C23 | H14 | 115.3° | 120.0° |
| C13 | C14 | C15 | C16 | 159.7° | 180.0° |
| C14 | C13 | C12 | H12 | 37.5° | 60.0° |
| C14 | C13 | C12 | H12A | 82.5° | 60.0° |
| C13 | C14 | C15 | H15 | 81.7° | 60.0° |
| C13 | C14 | C23 | H23 | 180.0° | 180.0° |
| C13 | C14 | C23 | H23A | 60.0° | 60.0° |
| C13 | C14 | C23 | H23B | 60.0° | 59.9° |
| O13 | C4 | O3 | HO3 | 0.0° | 0.1° |
| C15 | C14 | C23 | H14 | 114.8° | 120.0° |
| C14 | C15 | C16 | H15 | 117.0° | 120.0° |
| C14 | C15 | C16 | C17 | 86.3° | 175.0° |
| C14 | C15 | O9 | HO9 | 180.0° | 60.1° |
| C14 | C15 | C16 | H16 | 33.7° | 65.0° |
| C14 | C15 | C16 | H16A | 153.7° | 55.0° |
| C15 | C14 | C23 | H23 | 50.1° | 60.0° |
| C15 | C14 | C23 | H23A | 170.1° | 180.0° |
| C15 | C14 | C23 | H23B | 69.9° | 60.0° |
| C23 | C14 | C15 | C16 | 74.1° | 60.0° |
| C23 | C14 | C15 | H15 | 44.5° | 60.0° |
| C14 | C23 | H23 | H23A | 120.0° | 120.0° |
| C14 | C23 | H23 | H23B | 120.0° | 120.1° |
| C14 | C23 | H23A | H23B | 120.0° | 120.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 105.1° | 180.0° |
| C16 | C15 | O9 | HO9 | 55.9° | 59.9° |
| C16 | C15 | C14 | H14 | 45.4° | 60.0° |
| C15 | C16 | H16 | H16A | 117.6° | 120.0° |
| C15 | C16 | C17 | H17 | 14.9° | 60.0° |
| C15 | C16 | C17 | H17A | 134.8° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 25.4° | 175.0° |
| C16 | C17 | C18 | C24 | 98.5° | 65.0° |
| C17 | C16 | C15 | H15 | 156.7° | 55.0° |
| C17 | C16 | H16 | H16A | 117.6° | 120.0° |
| C16 | C17 | H17 | H17A | 117.4° | 120.0° |
| C16 | C17 | C18 | H18 | 141.7° | 55.1° |
| C17 | C18 | C19 | C24 | 124.4° | 120.0° |
| C17 | C18 | C19 | H18 | 115.6° | 120.0° |
| C17 | C18 | C19 | C20 | 92.6° | 175.0° |
| C17 | C18 | C24 | H18 | 116.1° | 120.1° |
| C18 | C17 | C16 | H16 | 134.8° | 60.0° |
| C18 | C17 | C16 | H16A | 14.8° | 60.0° |
| C18 | C17 | H17 | H17A | 117.4° | 120.0° |
| C17 | C18 | C19 | H19 | 27.4° | 55.0° |
| C17 | C18 | C19 | H19A | 147.4° | 65.0° |
| C17 | C18 | C24 | H24 | 180.0° | 60.0° |
| C17 | C18 | C24 | H24A | 60.0° | 180.0° |
| C17 | C18 | C24 | H24B | 60.0° | 59.9° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 120.0° | 120.0° |
| C18 | C19 | C20 | C25 | 158.1° | 65.0° |
| C18 | C19 | C20 | C26 | 78.3° | 175.0° |
| C19 | C18 | C24 | H18 | 116.8° | 120.0° |
| C19 | C18 | C17 | H17 | 145.4° | 55.0° |
| C19 | C18 | C17 | H17A | 94.6° | 65.0° |
| C18 | C19 | H19 | H19A | 117.5° | 120.0° |
| C18 | C19 | C20 | H20 | 40.6° | 55.0° |
| C19 | C18 | C24 | H24 | 52.9° | 180.0° |
| C19 | C18 | C24 | H24A | 67.1° | 60.0° |
| C19 | C18 | C24 | H24B | 172.9° | 60.0° |
| C19 | C20 | C25 | C26 | 123.2° | 120.0° |
| C19 | C20 | C25 | H20 | 117.9° | 120.0° |
| C19 | C20 | C26 | H20 | 118.0° | 120.0° |
| C20 | C19 | C18 | C24 | 143.0° | 65.0° |
| C19 | C20 | C26 | C27 | 75.2° | 175.0° |
| C20 | C19 | C18 | H18 | 23.1° | 55.0° |
| C20 | C19 | H19 | H19A | 117.6° | 120.0° |
| C19 | C20 | C25 | H25 | 180.0° | 60.0° |
| C19 | C20 | C25 | H25A | 60.0° | 180.0° |
| C19 | C20 | C25 | H25B | 60.0° | 60.0° |
| C19 | C20 | C26 | H26 | 44.8° | 65.0° |
| C19 | C20 | C26 | H26A | 164.8° | 55.0° |
| C25 | C20 | C26 | H20 | 117.6° | 120.0° |
| C25 | C20 | C26 | C27 | 49.2° | 65.0° |
| C25 | C20 | C19 | H19 | 38.1° | 55.0° |
| C25 | C20 | C19 | H19A | 81.9° | 175.0° |
| C20 | C25 | H25 | H25A | 120.0° | 120.1° |
| C20 | C25 | H25 | H25B | 120.0° | 120.0° |
| C20 | C25 | H25A | H25B | 120.0° | 120.0° |
| C25 | C20 | C26 | H26 | 169.2° | 55.0° |
| C25 | C20 | C26 | H26A | 70.8° | 175.0° |
| C20 | C26 | C27 | H26 | 120.0° | 120.0° |
| C20 | C26 | C27 | H26A | 120.0° | 119.9° |
| C20 | C26 | C27 | C28 | 164.2° | 180.0° |
| C26 | C20 | C19 | H19 | 161.7° | 65.0° |
| C26 | C20 | C19 | H19A | 41.7° | 55.0° |
| C26 | C20 | C25 | H25 | 56.7° | 60.0° |
| C26 | C20 | C25 | H25A | 176.8° | 60.0° |
| C26 | C20 | C25 | H25B | 63.2° | 180.0° |
| C20 | C26 | H26 | H26A | 117.3° | 119.9° |
| C20 | C26 | C27 | H27 | 44.2° | 59.9° |
| C20 | C26 | C27 | H27A | 75.8° | 60.0° |
| C21 | C9 | C10 | C22 | 37.9° | 180.0° |
| C21 | C9 | C10 | H10 | 154.3° | 60.0° |
| C9 | C21 | H21 | H21A | 120.0° | 120.0° |
| C9 | C21 | H21 | H21B | 120.0° | 120.0° |
| C9 | C21 | H21A | H21B | 120.0° | 119.9° |
| C22 | C10 | C9 | H9 | 154.3° | 60.0° |
| C22 | C10 | C11 | H11 | 163.1° | 180.0° |
| C10 | C22 | H22 | H22A | 120.0° | 120.0° |
| C10 | C22 | H22 | H22B | 120.0° | 120.0° |
| C10 | C22 | H22A | H22B | 120.0° | 120.0° |
| C24 | C18 | C17 | H17 | 21.5° | 175.0° |
| C24 | C18 | C17 | H17A | 141.5° | 54.9° |
| C24 | C18 | C19 | H19 | 97.0° | 175.0° |
| C24 | C18 | C19 | H19A | 23.0° | 55.0° |
| C18 | C24 | H24 | H24A | 120.0° | 120.0° |
| C18 | C24 | H24 | H24B | 120.0° | 120.0° |
| C18 | C24 | H24A | H24B | 120.0° | 120.1° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 119.9° |
| C26 | C27 | C28 | C29 | 145.6° | 120.6° |
| C27 | C26 | C20 | H20 | 166.8° | 54.9° |
| C27 | C26 | H26 | H26A | 117.3° | 120.0° |
| C26 | C27 | H27 | H27A | 119.1° | 119.9° |
| C26 | C27 | C28 | H28 | 34.4° | 59.4° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 179.3° | 179.3° |
| C27 | C28 | C29 | C32 | 0.3° | 0.7° |
| C28 | C27 | C26 | H26 | 75.8° | 60.0° |
| C28 | C27 | C26 | H26A | 44.2° | 60.1° |
| C28 | C27 | H27 | H27A | 119.1° | 120.0° |
| C28 | C29 | C30 | C32 | 179.6° | 180.0° |
| C28 | C29 | C30 | C31 | 98.0° | 180.0° |
| C28 | C29 | C32 | C33 | 111.1° | 93.4° |
| C29 | C28 | C27 | H27 | 94.4° | 0.6° |
| C29 | C28 | C27 | H27A | 25.6° | 119.5° |
| C28 | C29 | C30 | H30 | 82.0° | 0.0° |
| C28 | C29 | C32 | H32 | 8.9° | 146.7° |
| C28 | C29 | C32 | H51 | 128.9° | 26.7° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C34 | 179.7° | 180.0° |
| C30 | C29 | C32 | C33 | 69.4° | 86.6° |
| C30 | C29 | C28 | H28 | 0.7° | 0.7° |
| C29 | C30 | C31 | H31 | 0.2° | 0.0° |
| C30 | C29 | C32 | H32 | 170.7° | 33.4° |
| C30 | C29 | C32 | H51 | 50.6° | 153.4° |
| C30 | C31 | C34 | H31 | 180.0° | 180.0° |
| C31 | C30 | C29 | C32 | 81.6° | 0.1° |
| C30 | C31 | C34 | O11 | 121.5° | 180.0° |
| C30 | C31 | C34 | O12 | 58.3° | 0.0° |
| C31 | C34 | O11 | O12 | 179.8° | 180.0° |
| C31 | C34 | O11 | HO11 | 179.8° | 180.0° |
| C34 | C31 | C30 | H30 | 0.3° | 0.0° |
| C29 | C32 | C33 | H32 | 120.0° | 120.0° |
| C29 | C32 | C33 | H51 | 120.0° | 120.0° |
| C32 | C29 | C28 | H28 | 179.7° | 179.2° |
| C32 | C29 | C30 | H30 | 98.4° | 180.0° |
| C29 | C32 | H32 | H51 | 114.7° | 120.0° |
| C29 | C32 | C33 | H33 | 180.0° | 180.0° |
| C29 | C32 | C33 | H33A | 60.0° | 60.0° |
| C29 | C32 | C33 | H54 | 60.0° | 60.0° |
| C33 | C32 | H32 | H51 | 114.7° | 120.0° |
| C32 | C33 | H33 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H54 | 120.0° | 120.0° |
| C32 | C33 | H33A | H54 | 120.0° | 119.9° |
| O11 | C34 | C31 | H31 | 58.5° | 0.0° |
| O12 | C34 | O11 | HO11 | 0.0° | 0.0° |
| O12 | C34 | C31 | H31 | 121.7° | 180.0° |
| H5 | C5 | H5A | H5B | 120.0° | 119.9° |
| HO5 | O5 | C6 | H6 | 62.7° | 180.0° |
| H6 | C6 | C7 | H7 | 60.6° | 65.0° |
| H6 | C6 | C7 | H7A | 179.5° | 175.0° |
| HO7 | O7 | C11 | H11 | 69.0° | 180.0° |
| H9 | C9 | C10 | H10 | 89.3° | 60.0° |
| H9 | C9 | C21 | H21 | 57.7° | 60.0° |
| H9 | C9 | C21 | H21A | 177.7° | 60.0° |
| H9 | C9 | C21 | H21B | 62.3° | 180.0° |
| HO9 | O9 | C15 | H15 | 62.9° | 180.0° |
| H10 | C10 | C11 | H11 | 80.1° | 60.0° |
| H10 | C10 | C22 | H22 | 64.5° | 60.0° |
| H10 | C10 | C22 | H22A | 55.5° | 60.0° |
| H10 | C10 | C22 | H22B | 175.5° | 180.0° |
| H11 | C11 | C12 | H12 | 72.9° | 65.0° |
| H11 | C11 | C12 | H12A | 167.2° | 175.0° |
| H14 | C14 | C15 | H15 | 164.0° | 180.0° |
| H14 | C14 | C23 | H23 | 64.7° | 60.0° |
| H14 | C14 | C23 | H23A | 55.3° | 60.0° |
| H14 | C14 | C23 | H23B | 175.3° | 179.9° |
| H15 | C15 | C16 | H16 | 83.3° | 175.0° |
| H15 | C15 | C16 | H16A | 36.7° | 65.0° |
| H16 | C16 | C17 | H17 | 105.1° | 180.0° |
| H16 | C16 | C17 | H17A | 14.8° | 60.0° |
| H16A | C16 | C17 | H17 | 134.9° | 60.0° |
| H16A | C16 | C17 | H17A | 105.2° | 180.0° |
| H17 | C17 | C18 | H18 | 98.3° | 64.9° |
| H17A | C17 | C18 | H18 | 21.6° | 175.0° |
| H18 | C18 | C19 | H19 | 143.0° | 65.0° |
| H18 | C18 | C19 | H19A | 97.0° | 175.0° |
| H18 | C18 | C24 | H24 | 63.9° | 60.1° |
| H18 | C18 | C24 | H24A | 176.1° | 60.0° |
| H18 | C18 | C24 | H24B | 56.1° | NaN° |
| H19 | C19 | C20 | H20 | 79.4° | 175.0° |
| H19A | C19 | C20 | H20 | 160.6° | 65.0° |
| H20 | C20 | C25 | H25 | 62.1° | 180.0° |
| H20 | C20 | C25 | H25A | 57.9° | 60.0° |
| H20 | C20 | C25 | H25B | 177.9° | 60.0° |
| H20 | C20 | C26 | H26 | 73.2° | 175.0° |
| H20 | C20 | C26 | H26A | 46.8° | 65.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H25 | C25 | H25A | H25B | 120.0° | 119.9° |
| H26 | C26 | C27 | H27 | 164.2° | 180.0° |
| H26 | C26 | C27 | H27A | 44.2° | 60.0° |
| H26A | C26 | C27 | H27 | 75.8° | 60.0° |
| H26A | C26 | C27 | H27A | 164.1° | 180.0° |
| H27 | C27 | C28 | H28 | 85.5° | 179.5° |
| H27A | C27 | C28 | H28 | 154.4° | 60.5° |
| H30 | C30 | C31 | H31 | 179.7° | 180.0° |
| H32 | C32 | C33 | H33 | 60.0° | 60.0° |
| H32 | C32 | C33 | H33A | 180.0° | 180.0° |
| H32 | C32 | C33 | H54 | 60.0° | 60.0° |
| H51 | C32 | C33 | H33 | 60.0° | 60.0° |
| H51 | C32 | C33 | H33A | 60.0° | 60.1° |
| H51 | C32 | C33 | H54 | 180.0° | 180.0° |
| H33 | C33 | H33A | H54 | 120.0° | 120.0° |
