BUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C19 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | C14 | sing | 1.52Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C14 | O14 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.54Å | 1.57Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C17 | C20 | sing | 1.51Å | 1.52Å | |
| C22 | C20 | sing | 1.41Å | 1.44Å | |
| C22 | C23 | doub | 1.36Å | 1.34Å | |
| C20 | C21 | doub | 1.35Å | 1.37Å | |
| C23 | C24 | sing | 1.41Å | 1.45Å | |
| C21 | O21 | sing | 1.34Å | 1.35Å | |
| C24 | O21 | sing | 1.34Å | 1.37Å | |
| C24 | O24 | doub | 1.22Å | 1.21Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| O14 | H26 | sing | 0.97Å | 0.95Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 109.8° | 109.5° |
| O3 | C3 | C2 | 106.3° | 109.5° |
| O3 | C3 | H16 | 111.4° | 109.5° |
| C3 | O3 | H17 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.0° | 109.4° |
| C4 | C3 | C2 | 110.0° | 109.4° |
| C4 | C3 | H16 | 109.4° | 109.5° |
| C3 | C4 | H18 | 108.3° | 109.4° |
| C3 | C4 | H19 | 108.3° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.6° |
| C4 | C5 | C10 | 111.5° | 109.7° |
| C5 | C4 | H18 | 108.3° | 109.5° |
| C5 | C4 | H19 | 108.3° | 109.5° |
| C4 | C5 | H20 | 107.2° | 109.5° |
| C3 | C2 | C1 | 107.7° | 109.5° |
| C3 | C2 | H14 | 109.9° | 109.5° |
| C3 | C2 | H15 | 109.9° | 109.5° |
| C2 | C3 | H16 | 109.9° | 109.5° |
| C6 | C5 | C10 | 110.8° | 109.4° |
| C5 | C6 | C7 | 116.0° | 109.5° |
| C6 | C5 | H20 | 107.3° | 109.4° |
| C5 | C6 | H21 | 107.8° | 109.5° |
| C5 | C6 | H22 | 107.8° | 109.5° |
| C5 | C10 | C19 | 110.0° | 109.4° |
| C5 | C10 | C1 | 110.4° | 109.5° |
| C5 | C10 | C9 | 111.8° | 109.6° |
| C10 | C5 | H20 | 107.2° | 109.3° |
| C6 | C7 | C8 | 113.5° | 109.5° |
| C7 | C6 | H21 | 107.8° | 109.4° |
| C7 | C6 | H22 | 107.8° | 109.4° |
| C6 | C7 | H23 | 108.4° | 109.4° |
| C6 | C7 | H24 | 108.4° | 109.5° |
| C19 | C10 | C1 | 106.3° | 109.4° |
| C19 | C10 | C9 | 109.3° | 109.4° |
| C10 | C19 | H9 | 109.5° | 109.5° |
| C10 | C19 | H10 | 109.5° | 109.5° |
| C10 | C19 | H11 | 109.4° | 109.5° |
| C10 | C1 | C2 | 115.1° | 109.5° |
| C1 | C10 | C9 | 108.9° | 109.5° |
| C10 | C1 | H12 | 108.1° | 109.4° |
| C10 | C1 | H13 | 108.0° | 109.5° |
| C2 | C1 | H12 | 108.1° | 109.5° |
| C2 | C1 | H13 | 108.1° | 109.5° |
| C1 | C2 | H14 | 109.9° | 109.4° |
| C1 | C2 | H15 | 109.9° | 109.4° |
| C10 | C9 | C8 | 113.4° | 109.6° |
| C10 | C9 | C11 | 112.7° | 109.7° |
| C10 | C9 | H8 | 107.0° | 110.2° |
| C7 | C8 | C9 | 111.3° | 109.4° |
| C7 | C8 | C14 | 112.1° | 110.1° |
| C8 | C7 | H23 | 108.5° | 109.3° |
| C8 | C7 | H24 | 108.4° | 109.6° |
| C7 | C8 | H25 | 107.7° | 109.1° |
| C8 | C9 | C11 | 108.9° | 108.4° |
| C9 | C8 | C14 | 110.6° | 112.6° |
| C8 | C9 | H8 | 107.2° | 109.7° |
| C9 | C8 | H25 | 107.7° | 108.6° |
| C9 | C11 | C12 | 115.1° | 108.7° |
| C9 | C11 | H6 | 108.0° | 109.6° |
| C9 | C11 | H7 | 108.0° | 109.7° |
| C11 | C9 | H8 | 107.4° | 109.2° |
| C8 | C14 | O14 | 106.6° | 109.2° |
| C8 | C14 | C15 | 115.7° | 112.6° |
| C8 | C14 | C13 | 112.8° | 113.3° |
| C14 | C8 | H25 | 107.2° | 106.9° |
| C11 | C12 | C13 | 113.6° | 110.8° |
| C11 | C12 | H4 | 108.5° | 109.2° |
| C11 | C12 | H5 | 108.4° | 109.2° |
| C12 | C11 | H6 | 108.0° | 109.6° |
| C12 | C11 | H7 | 108.1° | 109.6° |
| O14 | C14 | C15 | 109.0° | 109.1° |
| O14 | C14 | C13 | 109.3° | 110.0° |
| C14 | O14 | H26 | 109.5° | 114.0° |
| C15 | C14 | C13 | 103.2° | 102.5° |
| C14 | C15 | C16 | 106.8° | 103.5° |
| C14 | C15 | H27 | 110.1° | 110.7° |
| C14 | C15 | H28 | 110.1° | 110.6° |
| C14 | C13 | C12 | 112.8° | 111.6° |
| C14 | C13 | C18 | 108.3° | 111.7° |
| C14 | C13 | C17 | 106.2° | 103.0° |
| C15 | C16 | C17 | 108.7° | 106.3° |
| C16 | C15 | H27 | 110.1° | 110.6° |
| C16 | C15 | H28 | 110.1° | 110.6° |
| C15 | C16 | H29 | 109.7° | 110.1° |
| C15 | C16 | H30 | 109.7° | 110.1° |
| C12 | C13 | C18 | 113.7° | 111.6° |
| C12 | C13 | C17 | 103.8° | 106.7° |
| C13 | C12 | H4 | 108.4° | 109.3° |
| C13 | C12 | H5 | 108.4° | 109.2° |
| C18 | C13 | C17 | 111.8° | 111.8° |
| C13 | C18 | H1 | 109.5° | 109.5° |
| C13 | C18 | H2 | 109.5° | 109.5° |
| C13 | C18 | H3 | 109.4° | 109.5° |
| C13 | C17 | C16 | 103.4° | 107.0° |
| C13 | C17 | C20 | 116.3° | 110.1° |
| C13 | C17 | H31 | 106.4° | 110.1° |
| C16 | C17 | C20 | 116.9° | 108.7° |
| C17 | C16 | H29 | 109.7° | 112.1° |
| C17 | C16 | H30 | 109.7° | 108.1° |
| C16 | C17 | H31 | 106.4° | 110.7° |
| C17 | C20 | C22 | 122.7° | 120.0° |
| C17 | C20 | C21 | 122.3° | 120.1° |
| C20 | C17 | H31 | 106.7° | 110.1° |
| C20 | C22 | C23 | 121.2° | 119.0° |
| C22 | C20 | C21 | 115.0° | 119.9° |
| C20 | C22 | H32 | 119.4° | 120.5° |
| C22 | C23 | C24 | 121.0° | 119.0° |
| C23 | C22 | H32 | 119.4° | 120.5° |
| C22 | C23 | H33 | 119.5° | 120.5° |
| C20 | C21 | O21 | 125.6° | 121.0° |
| C20 | C21 | H34 | 117.2° | 119.5° |
| C23 | C24 | O21 | 116.7° | 120.0° |
| C23 | C24 | O24 | 128.8° | 120.0° |
| C24 | C23 | H33 | 119.5° | 120.5° |
| C21 | O21 | C24 | 120.6° | 121.1° |
| O21 | C21 | H34 | 117.2° | 119.5° |
| O21 | C24 | O24 | 114.5° | 120.0° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H1 | C18 | H3 | 109.5° | 109.5° |
| H2 | C18 | H3 | 109.5° | 109.4° |
| H4 | C12 | H5 | 109.5° | 109.2° |
| H6 | C11 | H7 | 109.5° | 109.6° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.5° | 109.5° |
| H21 | C6 | H22 | 109.5° | 109.5° |
| H23 | C7 | H24 | 109.5° | 109.4° |
| H27 | C15 | H28 | 109.5° | 110.7° |
| H29 | C16 | H30 | 109.4° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 116.7° | 120.0° |
| O3 | C3 | C4 | H16 | 122.5° | 120.0° |
| O3 | C3 | C4 | C5 | 59.2° | 59.9° |
| O3 | C3 | C2 | H16 | 120.6° | 120.0° |
| O3 | C3 | C2 | C1 | 59.3° | 60.0° |
| O3 | C3 | C2 | H14 | 179.0° | 60.1° |
| O3 | C3 | C2 | H15 | 60.4° | 179.9° |
| O3 | C3 | C4 | H18 | 61.5° | 60.1° |
| O3 | C3 | C4 | H19 | 179.9° | 179.9° |
| C3 | C4 | C5 | H18 | 120.7° | 119.9° |
| C3 | C4 | C5 | H19 | 120.7° | 120.0° |
| C4 | C3 | C2 | H16 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 175.2° | 179.9° |
| C3 | C4 | C5 | C10 | 50.0° | 60.1° |
| C4 | C3 | C2 | C1 | 59.6° | 60.1° |
| C4 | C3 | C2 | H14 | 60.1° | 179.9° |
| C4 | C3 | C2 | H15 | 179.3° | 59.9° |
| C4 | C3 | O3 | H17 | 180.0° | 179.9° |
| C3 | C4 | H18 | H19 | 117.9° | 120.0° |
| C3 | C4 | C5 | H20 | 67.0° | 59.8° |
| C5 | C4 | C3 | C2 | 57.5° | 60.1° |
| C4 | C5 | C6 | C10 | 125.6° | 120.2° |
| C4 | C5 | C6 | H20 | 117.7° | 120.0° |
| C4 | C5 | C10 | H20 | 117.0° | 120.0° |
| C4 | C5 | C6 | C7 | 76.0° | 60.3° |
| C4 | C5 | C10 | C19 | 162.8° | 179.8° |
| C4 | C5 | C10 | C1 | 45.8° | 59.9° |
| C4 | C5 | C10 | C9 | 75.5° | 60.3° |
| C5 | C4 | C3 | H16 | 178.3° | 179.9° |
| C5 | C4 | H18 | H19 | 117.9° | 120.1° |
| C4 | C5 | C6 | H21 | 163.1° | 179.7° |
| C4 | C5 | C6 | H22 | 45.0° | 59.7° |
| C3 | C2 | C1 | C10 | 60.1° | 59.9° |
| C3 | C2 | C1 | H14 | 119.7° | 120.1° |
| C3 | C2 | C1 | H15 | 119.7° | 120.0° |
| C3 | C2 | C1 | H12 | 60.7° | 60.1° |
| C3 | C2 | C1 | H13 | 179.1° | 179.9° |
| C3 | C2 | H14 | H15 | 120.8° | 120.1° |
| C2 | C3 | O3 | H17 | 61.0° | 59.9° |
| C2 | C3 | C4 | H18 | 178.2° | 179.9° |
| C2 | C3 | C4 | H19 | 63.2° | 59.9° |
| C6 | C5 | C10 | H20 | 116.8° | 119.8° |
| C5 | C6 | C7 | H21 | 120.9° | 120.0° |
| C5 | C6 | C7 | H22 | 120.9° | 120.0° |
| C6 | C5 | C10 | C19 | 71.0° | 60.0° |
| C6 | C5 | C10 | C1 | 172.0° | 179.9° |
| C6 | C5 | C10 | C9 | 50.7° | 59.9° |
| C5 | C6 | C7 | C8 | 49.3° | 60.1° |
| C6 | C5 | C4 | H18 | 64.1° | 60.0° |
| C6 | C5 | C4 | H19 | 54.6° | 60.1° |
| C5 | C6 | H21 | H22 | 117.0° | 120.0° |
| C5 | C6 | C7 | H23 | 169.9° | 180.0° |
| C5 | C6 | C7 | H24 | 71.3° | 60.1° |
| C10 | C5 | C6 | C7 | 49.6° | 60.0° |
| C5 | C10 | C19 | C1 | 119.5° | 119.9° |
| C5 | C10 | C19 | C9 | 123.1° | 120.0° |
| C5 | C10 | C1 | C9 | 123.1° | 120.2° |
| C5 | C10 | C1 | C2 | 53.4° | 59.7° |
| C5 | C10 | C9 | C8 | 53.9° | 59.9° |
| C5 | C10 | C9 | C11 | 178.1° | 178.9° |
| C5 | C10 | C9 | H8 | 64.1° | 60.9° |
| C5 | C10 | C19 | H9 | 180.0° | 179.9° |
| C5 | C10 | C19 | H10 | 60.0° | 59.9° |
| C5 | C10 | C19 | H11 | 60.0° | 60.1° |
| C5 | C10 | C1 | H12 | 67.5° | 60.3° |
| C5 | C10 | C1 | H13 | 174.2° | 179.7° |
| C10 | C5 | C4 | H18 | 170.7° | 180.0° |
| C10 | C5 | C4 | H19 | 70.6° | 60.0° |
| C10 | C5 | C6 | H21 | 71.3° | 60.0° |
| C10 | C5 | C6 | H22 | 170.6° | 179.9° |
| C6 | C7 | C8 | H23 | 120.6° | 119.9° |
| C6 | C7 | C8 | H24 | 120.6° | 120.1° |
| C6 | C7 | C8 | C9 | 48.8° | 59.9° |
| C6 | C7 | C8 | C14 | 173.3° | 175.8° |
| C7 | C6 | C5 | H20 | 166.3° | 179.7° |
| C7 | C6 | H21 | H22 | 117.0° | 120.0° |
| C6 | C7 | H23 | H24 | 118.2° | 120.0° |
| C6 | C7 | C8 | H25 | 69.0° | 58.7° |
| C19 | C10 | C1 | C9 | 117.7° | 119.9° |
| C19 | C10 | C1 | C2 | 172.6° | 179.6° |
| C19 | C10 | C9 | C8 | 68.1° | 60.0° |
| C19 | C10 | C9 | C11 | 56.1° | 58.9° |
| C19 | C10 | C9 | H8 | 173.9° | 179.2° |
| C10 | C19 | H9 | H10 | 120.0° | 120.0° |
| C10 | C19 | H9 | H11 | 120.0° | 120.0° |
| C10 | C19 | H10 | H11 | 120.0° | 120.0° |
| C19 | C10 | C1 | H12 | 51.8° | 59.6° |
| C19 | C10 | C1 | H13 | 66.6° | 60.4° |
| C19 | C10 | C5 | H20 | 45.8° | 59.8° |
| C10 | C1 | C2 | H12 | 120.8° | 120.0° |
| C10 | C1 | C2 | H13 | 120.8° | 120.0° |
| C1 | C10 | C9 | C8 | 176.2° | 180.0° |
| C1 | C10 | C9 | C11 | 59.6° | 61.0° |
| C1 | C10 | C9 | H8 | 58.2° | 59.2° |
| C1 | C10 | C19 | H9 | 60.5° | 60.0° |
| C1 | C10 | C19 | H10 | 59.5° | 60.0° |
| C1 | C10 | C19 | H11 | 179.5° | 180.0° |
| C10 | C1 | H12 | H13 | 117.4° | 120.0° |
| C10 | C1 | C2 | H14 | 59.6° | 179.9° |
| C10 | C1 | C2 | H15 | 179.9° | 60.1° |
| C1 | C10 | C5 | H20 | 71.2° | 60.1° |
| C2 | C1 | C10 | C9 | 69.7° | 60.5° |
| C2 | C1 | H12 | H13 | 117.5° | 120.0° |
| C1 | C2 | H14 | H15 | 120.8° | 119.9° |
| C1 | C2 | C3 | H16 | 179.9° | 179.9° |
| C10 | C9 | C8 | C7 | 52.0° | 59.8° |
| C10 | C9 | C8 | C11 | 126.3° | 119.8° |
| C10 | C9 | C8 | H8 | 117.8° | 121.1° |
| C10 | C9 | C11 | H8 | 117.5° | 120.9° |
| C10 | C9 | C8 | C14 | 177.3° | 177.4° |
| C10 | C9 | C11 | C12 | 176.3° | 177.1° |
| C10 | C9 | C11 | H6 | 55.5° | 63.1° |
| C10 | C9 | C11 | H7 | 62.8° | 57.2° |
| C9 | C10 | C19 | H9 | 56.9° | 60.0° |
| C9 | C10 | C19 | H10 | 176.9° | 180.0° |
| C9 | C10 | C19 | H11 | 63.1° | 60.0° |
| C9 | C10 | C1 | H12 | 169.5° | 179.5° |
| C9 | C10 | C1 | H13 | 51.1° | 59.5° |
| C9 | C10 | C5 | H20 | 167.4° | 179.7° |
| C10 | C9 | C8 | H25 | 65.8° | 59.2° |
| C7 | C8 | C9 | C14 | 125.3° | 122.8° |
| C7 | C8 | C9 | H25 | 117.8° | 119.0° |
| C7 | C8 | C9 | C11 | 178.3° | 179.6° |
| C7 | C8 | C14 | H25 | 118.0° | 118.4° |
| C7 | C8 | C14 | O14 | 61.5° | 64.5° |
| C7 | C8 | C14 | C15 | 59.9° | 56.8° |
| C7 | C8 | C14 | C13 | 178.4° | 172.5° |
| C7 | C8 | C9 | H8 | 65.8° | 61.3° |
| C8 | C7 | C6 | H21 | 71.6° | 59.9° |
| C8 | C7 | C6 | H22 | 170.2° | 179.9° |
| C8 | C7 | H23 | H24 | 118.2° | 120.0° |
| C8 | C9 | C11 | H8 | 115.8° | 119.4° |
| C9 | C8 | C14 | H25 | 117.1° | 119.1° |
| C8 | C9 | C11 | C12 | 57.0° | 63.2° |
| C9 | C8 | C14 | O14 | 173.6° | 173.0° |
| C9 | C8 | C14 | C15 | 65.0° | 65.7° |
| C9 | C8 | C14 | C13 | 53.5° | 50.1° |
| C8 | C9 | C11 | H6 | 177.8° | 56.5° |
| C8 | C9 | C11 | H7 | 63.9° | 176.9° |
| C9 | C8 | C7 | H23 | 169.4° | 179.9° |
| C9 | C8 | C7 | H24 | 71.7° | 60.2° |
| C11 | C9 | C8 | C14 | 56.4° | 57.6° |
| C9 | C11 | C12 | H6 | 120.8° | 119.7° |
| C9 | C11 | C12 | H7 | 120.8° | 119.9° |
| C9 | C11 | C12 | C13 | 52.0° | 62.4° |
| C9 | C11 | C12 | H4 | 68.6° | 177.2° |
| C9 | C11 | C12 | H5 | 172.6° | 57.9° |
| C9 | C11 | H6 | H7 | 117.4° | 120.4° |
| C11 | C9 | C8 | H25 | 60.5° | 60.6° |
| C8 | C14 | O14 | C15 | 125.6° | 123.5° |
| C8 | C14 | O14 | C13 | 122.3° | 124.9° |
| C8 | C14 | C15 | C13 | 123.7° | 122.1° |
| C8 | C14 | C15 | C16 | 149.1° | 162.5° |
| C8 | C14 | C13 | C12 | 47.4° | 47.4° |
| C8 | C14 | C13 | C18 | 79.4° | 78.3° |
| C8 | C14 | C13 | C17 | 160.4° | 161.5° |
| C14 | C8 | C9 | H8 | 59.5° | 61.5° |
| C14 | C8 | C7 | H23 | 66.1° | 55.9° |
| C14 | C8 | C7 | H24 | 52.7° | 64.1° |
| C8 | C14 | O14 | H26 | 180.0° | 59.2° |
| C8 | C14 | C15 | H27 | 91.3° | 79.0° |
| C8 | C14 | C15 | H28 | 29.6° | 44.1° |
| C11 | C12 | C13 | C14 | 45.7° | 53.8° |
| C11 | C12 | C13 | H4 | 120.6° | 120.3° |
| C11 | C12 | C13 | H5 | 120.6° | 120.3° |
| C11 | C12 | C13 | C18 | 78.1° | 72.0° |
| C11 | C12 | C13 | C17 | 160.3° | 165.6° |
| C11 | C12 | H4 | H5 | 118.1° | 119.3° |
| C12 | C11 | H6 | H7 | 117.5° | 120.4° |
| C12 | C11 | C9 | H8 | 58.8° | 56.2° |
| O14 | C14 | C15 | C13 | 116.2° | 116.5° |
| O14 | C14 | C15 | C16 | 90.7° | 76.1° |
| O14 | C14 | C13 | C12 | 165.9° | 169.9° |
| O14 | C14 | C13 | C18 | 39.1° | 44.2° |
| O14 | C14 | C13 | C17 | 81.1° | 76.0° |
| O14 | C14 | C8 | H25 | 56.4° | 53.9° |
| O14 | C14 | C15 | H27 | 28.9° | 42.4° |
| O14 | C14 | C15 | H28 | 149.7° | 165.5° |
| C14 | C15 | C16 | H27 | 119.6° | 118.5° |
| C14 | C15 | C16 | H28 | 119.6° | 118.5° |
| C15 | C14 | C13 | C12 | 78.2° | 74.2° |
| C15 | C14 | C13 | C18 | 155.1° | 160.0° |
| C15 | C14 | C13 | C17 | 34.9° | 39.9° |
| C14 | C15 | C16 | C17 | 7.5° | 25.4° |
| C15 | C14 | C8 | H25 | 177.9° | 175.2° |
| C15 | C14 | O14 | H26 | 54.4° | 64.2° |
| C14 | C15 | H27 | H28 | 121.2° | 123.0° |
| C14 | C15 | C16 | H29 | 112.4° | 96.2° |
| C14 | C15 | C16 | H30 | 127.4° | 142.3° |
| C13 | C14 | C15 | C16 | 25.5° | 40.5° |
| C14 | C13 | C12 | C18 | 123.8° | 125.8° |
| C14 | C13 | C12 | C17 | 114.5° | 111.8° |
| C14 | C13 | C18 | C17 | 116.7° | 114.9° |
| C14 | C13 | C17 | C16 | 30.0° | 24.5° |
| C14 | C13 | C17 | C20 | 99.6° | 93.5° |
| C14 | C13 | C18 | H1 | 180.0° | 176.3° |
| C14 | C13 | C18 | H2 | 60.0° | 63.7° |
| C14 | C13 | C18 | H3 | 60.0° | 56.3° |
| C14 | C13 | C12 | H4 | 74.9° | 174.1° |
| C14 | C13 | C12 | H5 | 166.3° | 66.5° |
| C13 | C14 | C8 | H25 | 63.6° | 69.1° |
| C13 | C14 | O14 | H26 | 57.8° | 175.9° |
| C13 | C14 | C15 | H27 | 145.0° | 158.9° |
| C13 | C14 | C15 | H28 | 94.1° | 78.0° |
| C14 | C13 | C17 | H31 | 141.8° | 144.9° |
| C15 | C16 | C17 | C13 | 14.0° | 0.5° |
| C15 | C16 | C17 | H29 | 119.9° | 120.3° |
| C15 | C16 | C17 | H30 | 119.9° | 118.2° |
| C15 | C16 | C17 | C20 | 115.1° | 119.4° |
| C16 | C15 | H27 | H28 | 121.2° | 122.9° |
| C15 | C16 | H29 | H30 | 120.4° | 121.5° |
| C15 | C16 | C17 | H31 | 125.9° | 119.5° |
| C12 | C13 | C18 | C17 | 117.1° | 119.4° |
| C12 | C13 | C17 | C16 | 89.2° | 93.1° |
| C12 | C13 | C17 | C20 | 141.3° | 148.9° |
| C12 | C13 | C18 | H1 | 53.8° | 57.9° |
| C12 | C13 | C18 | H2 | 66.2° | 62.0° |
| C12 | C13 | C18 | H3 | 173.8° | 178.0° |
| C13 | C12 | H4 | H5 | 118.1° | 119.4° |
| C13 | C12 | C11 | H6 | 172.9° | 57.4° |
| C13 | C12 | C11 | H7 | 68.8° | 177.7° |
| C12 | C13 | C17 | H31 | 22.7° | 27.3° |
| C18 | C13 | C17 | C16 | 147.9° | 144.6° |
| C18 | C13 | C17 | C20 | 18.4° | 26.6° |
| C13 | C18 | H1 | H2 | 120.0° | 120.0° |
| C13 | C18 | H1 | H3 | 120.0° | 120.0° |
| C13 | C18 | H2 | H3 | 120.0° | 120.0° |
| C18 | C13 | C12 | H4 | 161.3° | 48.3° |
| C18 | C13 | C12 | H5 | 42.5° | 167.7° |
| C18 | C13 | C17 | H31 | 100.3° | 95.0° |
| C13 | C17 | C16 | C20 | 129.1° | 118.9° |
| C13 | C17 | C16 | H31 | 111.9° | 120.0° |
| C13 | C17 | C20 | H31 | 118.5° | 121.6° |
| C13 | C17 | C20 | C22 | 77.6° | 87.5° |
| C13 | C17 | C20 | C21 | 102.9° | 92.2° |
| C17 | C13 | C18 | H1 | 63.3° | 61.5° |
| C17 | C13 | C18 | H2 | 176.7° | 178.6° |
| C17 | C13 | C18 | H3 | 56.7° | 58.6° |
| C17 | C13 | C12 | H4 | 39.7° | 74.1° |
| C17 | C13 | C12 | H5 | 79.1° | 45.3° |
| C13 | C17 | C16 | H29 | 133.9° | 119.8° |
| C13 | C17 | C16 | H30 | 105.9° | 118.7° |
| C16 | C17 | C20 | H31 | 118.8° | 121.5° |
| C16 | C17 | C20 | C22 | 45.0° | 155.6° |
| C16 | C17 | C20 | C21 | 134.4° | 24.7° |
| C17 | C16 | C15 | H27 | 127.1° | 143.9° |
| C17 | C16 | C15 | H28 | 112.1° | 93.1° |
| C17 | C16 | H29 | H30 | 120.3° | 120.4° |
| C17 | C20 | C22 | C21 | 179.5° | 179.7° |
| C17 | C20 | C22 | C23 | 179.9° | 180.0° |
| C17 | C20 | C21 | O21 | 179.9° | 179.7° |
| C20 | C17 | C16 | H29 | 4.8° | 0.9° |
| C20 | C17 | C16 | H30 | 125.0° | 122.4° |
| C17 | C20 | C22 | H32 | 0.0° | 0.0° |
| C17 | C20 | C21 | H34 | 0.1° | 0.0° |
| C20 | C22 | C23 | H32 | 180.0° | 180.0° |
| C20 | C22 | C23 | C24 | 0.3° | 0.1° |
| C22 | C20 | C21 | O21 | 0.4° | 0.6° |
| C22 | C20 | C17 | H31 | 163.9° | 34.1° |
| C20 | C22 | C23 | H33 | 179.7° | 179.9° |
| C22 | C20 | C21 | H34 | 179.6° | 179.7° |
| C23 | C22 | C20 | C21 | 0.4° | 0.3° |
| C22 | C23 | C24 | H33 | 180.0° | 179.9° |
| C22 | C23 | C24 | O21 | 0.1° | 0.1° |
| C22 | C23 | C24 | O24 | 179.8° | 180.0° |
| C20 | C21 | O21 | H34 | 180.0° | 179.7° |
| C20 | C21 | O21 | C24 | 0.2° | 0.6° |
| C21 | C20 | C17 | H31 | 15.6° | 146.2° |
| C21 | C20 | C22 | H32 | 179.5° | 179.7° |
| C23 | C24 | O21 | C21 | 0.0° | 0.3° |
| C23 | C24 | O21 | O24 | 179.9° | 179.9° |
| C24 | C23 | C22 | H32 | 179.7° | 179.9° |
| C21 | O21 | C24 | O24 | 179.9° | 179.7° |
| O21 | C24 | C23 | H33 | 179.9° | 179.9° |
| C24 | O21 | C21 | H34 | 179.8° | 179.7° |
| O24 | C24 | C23 | H33 | 0.2° | 0.1° |
| H1 | C18 | H2 | H3 | 120.1° | 120.0° |
| H4 | C12 | C11 | H6 | 52.3° | 63.0° |
| H4 | C12 | C11 | H7 | 170.6° | 57.3° |
| H5 | C12 | C11 | H6 | 66.6° | 177.7° |
| H5 | C12 | C11 | H7 | 51.8° | 62.0° |
| H6 | C11 | C9 | H8 | 62.0° | 176.0° |
| H7 | C11 | C9 | H8 | 179.7° | 63.7° |
| H8 | C9 | C8 | H25 | 176.3° | 179.7° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C1 | C2 | H14 | 179.6° | 60.0° |
| H12 | C1 | C2 | H15 | 59.1° | 179.9° |
| H13 | C1 | C2 | H14 | 61.2° | 60.0° |
| H13 | C1 | C2 | H15 | 59.3° | 59.9° |
| H14 | C2 | C3 | H16 | 60.4° | 59.9° |
| H15 | C2 | C3 | H16 | 60.2° | 60.1° |
| H16 | C3 | O3 | H17 | 58.7° | 60.0° |
| H16 | C3 | C4 | H18 | 61.0° | 60.0° |
| H16 | C3 | C4 | H19 | 57.6° | 60.1° |
| H18 | C4 | C5 | H20 | 53.7° | 60.1° |
| H19 | C4 | C5 | H20 | 172.4° | 179.9° |
| H20 | C5 | C6 | H21 | 45.3° | 59.7° |
| H20 | C5 | C6 | H22 | 72.8° | 60.3° |
| H21 | C6 | C7 | H23 | 48.9° | 59.9° |
| H21 | C6 | C7 | H24 | 167.8° | 179.9° |
| H22 | C6 | C7 | H23 | 69.2° | 60.1° |
| H22 | C6 | C7 | H24 | 49.7° | 59.9° |
| H23 | C7 | C8 | H25 | 51.6° | 61.2° |
| H24 | C7 | C8 | H25 | 170.4° | 178.8° |
| H27 | C15 | C16 | H29 | 7.2° | 22.3° |
| H27 | C15 | C16 | H30 | 113.0° | 99.2° |
| H28 | C15 | C16 | H29 | 128.0° | 145.3° |
| H28 | C15 | C16 | H30 | 7.8° | 23.8° |
| H29 | C16 | C17 | H31 | 114.2° | 120.2° |
| H30 | C16 | C17 | H31 | 6.0° | 1.3° |
| H32 | C22 | C23 | H33 | 0.4° | 0.1° |
