TX5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | C9 | sing | 1.53Å | 1.59Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C9 | C8 | sing | 1.51Å | 1.59Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.62Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C18 | C13 | sing | 1.53Å | 1.62Å | |
| C6 | C5 | doub | 1.33Å | 1.36Å | |
| C6 | C7 | sing | 1.47Å | 1.51Å | |
| C13 | C14 | sing | 1.54Å | 1.75Å | |
| C13 | C17 | sing | 1.55Å | 1.66Å | |
| C3 | O2 | sing | 1.43Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.64Å | |
| C8 | C7 | doub | 1.33Å | 1.29Å | |
| C8 | C14 | sing | 1.50Å | 1.46Å | |
| C5 | C10 | sing | 1.51Å | 1.65Å | |
| C25 | C24 | sing | 1.47Å | 1.43Å | |
| C25 | C27 | sing | 1.53Å | 1.55Å | |
| C25 | O3 | sing | 1.43Å | 1.41Å | |
| C10 | C1 | sing | 1.53Å | 1.58Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C24 | C23 | trip | 1.17Å | 1.14Å | |
| C2 | C1 | sing | 1.53Å | 1.61Å | |
| C20 | C17 | sing | 1.53Å | 1.66Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C22 | sing | 1.53Å | 1.62Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.47Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| O1 | H35 | sing | 0.97Å | 0.95Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| O3 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C9 | 112.9° | 108.5° |
| C11 | C12 | C13 | 115.4° | 111.1° |
| C12 | C11 | H16 | 108.6° | 109.7° |
| C12 | C11 | H17 | 108.6° | 109.6° |
| C11 | C12 | H18 | 108.0° | 109.2° |
| C11 | C12 | H19 | 108.0° | 109.1° |
| C11 | C9 | C8 | 114.9° | 107.5° |
| C11 | C9 | H12 | 108.1° | 109.9° |
| C11 | C9 | H13 | 108.1° | 109.9° |
| C9 | C11 | H16 | 108.6° | 109.6° |
| C9 | C11 | H17 | 108.6° | 109.6° |
| C12 | C13 | C18 | 110.2° | 111.5° |
| C12 | C13 | C14 | 108.9° | 110.5° |
| C12 | C13 | C17 | 123.0° | 107.2° |
| C13 | C12 | H18 | 108.0° | 109.2° |
| C13 | C12 | H19 | 108.0° | 109.2° |
| C9 | C8 | C7 | 128.8° | 120.0° |
| C9 | C8 | C14 | 116.1° | 120.1° |
| C8 | C9 | H12 | 108.1° | 109.9° |
| C8 | C9 | H13 | 108.1° | 109.8° |
| C26 | C25 | C24 | 109.1° | 109.5° |
| C26 | C25 | C27 | 110.5° | 109.5° |
| C26 | C25 | O3 | 111.1° | 109.5° |
| C25 | C26 | H39 | 109.5° | 109.5° |
| C25 | C26 | H40 | 109.5° | 109.5° |
| C25 | C26 | H41 | 109.5° | 109.5° |
| C3 | C4 | C5 | 107.1° | 108.5° |
| C4 | C3 | O2 | 111.4° | 109.5° |
| C4 | C3 | C2 | 107.5° | 109.4° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | H6 | 110.1° | 109.6° |
| C3 | C4 | H7 | 110.1° | 109.6° |
| C4 | C5 | C6 | 128.4° | 120.8° |
| C4 | C5 | C10 | 102.4° | 118.3° |
| C5 | C4 | H6 | 110.0° | 109.6° |
| C5 | C4 | H7 | 110.1° | 109.6° |
| C18 | C13 | C14 | 103.4° | 111.4° |
| C18 | C13 | C17 | 113.0° | 112.5° |
| C13 | C18 | H26 | 109.5° | 109.4° |
| C13 | C18 | H27 | 109.5° | 109.5° |
| C13 | C18 | H28 | 109.5° | 109.5° |
| C5 | C6 | C7 | 135.6° | 120.0° |
| C6 | C5 | C10 | 113.2° | 120.9° |
| C5 | C6 | H9 | 112.2° | 120.0° |
| C6 | C7 | C8 | 122.9° | 120.0° |
| C7 | C6 | H9 | 112.2° | 120.0° |
| C6 | C7 | H11 | 118.5° | 120.1° |
| C14 | C13 | C17 | 95.3° | 103.4° |
| C13 | C14 | C8 | 112.0° | 111.8° |
| C13 | C14 | C15 | 110.7° | 103.2° |
| C13 | C14 | H20 | 90.3° | 109.9° |
| C13 | C17 | C20 | 110.2° | 110.1° |
| C13 | C17 | C16 | 108.8° | 106.6° |
| C13 | C17 | H25 | 107.5° | 110.0° |
| O2 | C3 | C2 | 110.4° | 109.5° |
| C3 | O2 | H1 | 109.5° | 114.0° |
| O2 | C3 | H5 | 110.6° | 109.5° |
| C3 | C2 | C1 | 111.2° | 109.8° |
| C3 | C2 | H3 | 109.0° | 109.4° |
| C3 | C2 | H4 | 109.0° | 109.3° |
| C2 | C3 | H5 | 108.3° | 109.5° |
| C7 | C8 | C14 | 115.1° | 119.9° |
| C8 | C7 | H11 | 118.5° | 120.0° |
| C8 | C14 | C15 | 137.2° | 111.4° |
| C8 | C14 | H20 | 90.4° | 109.9° |
| C5 | C10 | C1 | 109.7° | 108.5° |
| C5 | C10 | H14 | 109.4° | 109.6° |
| C5 | C10 | H15 | 109.4° | 109.7° |
| C24 | C25 | C27 | 112.3° | 109.5° |
| C24 | C25 | O3 | 103.7° | 109.5° |
| C25 | C24 | C23 | 176.9° | 180.0° |
| C27 | C25 | O3 | 110.0° | 109.5° |
| C25 | C27 | H36 | 109.5° | 109.5° |
| C25 | C27 | H37 | 109.5° | 109.5° |
| C25 | C27 | H38 | 109.4° | 109.5° |
| C25 | O3 | H42 | 109.5° | 114.0° |
| C10 | C1 | C2 | 105.6° | 109.4° |
| C10 | C1 | O1 | 115.3° | 109.5° |
| C10 | C1 | H2 | 109.5° | 109.6° |
| C1 | C10 | H14 | 109.4° | 109.6° |
| C1 | C10 | H15 | 109.4° | 109.6° |
| C14 | C15 | C16 | 104.6° | 103.7° |
| C15 | C14 | H20 | 90.4° | 110.4° |
| C14 | C15 | H21 | 110.7° | 110.6° |
| C14 | C15 | H22 | 110.7° | 110.6° |
| C24 | C23 | C22 | 177.6° | 180.0° |
| C2 | C1 | O1 | 105.9° | 109.4° |
| C2 | C1 | H2 | 109.2° | 109.5° |
| C1 | C2 | H3 | 109.0° | 109.4° |
| C1 | C2 | H4 | 109.0° | 109.5° |
| C17 | C20 | C21 | 104.0° | 109.5° |
| C17 | C20 | C22 | 118.0° | 109.4° |
| C20 | C17 | C16 | 113.9° | 109.8° |
| C20 | C17 | H25 | 107.5° | 110.1° |
| C17 | C20 | H29 | 109.4° | 109.5° |
| C21 | C20 | C22 | 104.4° | 109.5° |
| C21 | C20 | H29 | 110.6° | 109.5° |
| C20 | C21 | H30 | 109.5° | 109.5° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.4° | 109.5° |
| C20 | C22 | C23 | 117.3° | 109.5° |
| C22 | C20 | H29 | 110.0° | 109.5° |
| C20 | C22 | H33 | 107.5° | 109.5° |
| C20 | C22 | H34 | 107.5° | 109.5° |
| C17 | C16 | C15 | 104.7° | 106.7° |
| C17 | C16 | H23 | 110.6° | 110.1° |
| C17 | C16 | H24 | 110.6° | 110.0° |
| C16 | C17 | H25 | 108.6° | 110.2° |
| C23 | C22 | H33 | 107.5° | 109.5° |
| C23 | C22 | H34 | 107.5° | 109.5° |
| O1 | C1 | H2 | 111.1° | 109.4° |
| C1 | O1 | H35 | 109.5° | 114.0° |
| C16 | C15 | H21 | 110.7° | 110.6° |
| C16 | C15 | H22 | 110.7° | 110.6° |
| C15 | C16 | H23 | 110.6° | 110.0° |
| C15 | C16 | H24 | 110.6° | 110.0° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.8° |
| H12 | C9 | H13 | 109.5° | 109.8° |
| H14 | C10 | H15 | 109.5° | 109.8° |
| H16 | C11 | H17 | 109.5° | 109.8° |
| H18 | C12 | H19 | 109.5° | 109.1° |
| H21 | C15 | H22 | 109.5° | 110.7° |
| H23 | C16 | H24 | 109.5° | 110.0° |
| H26 | C18 | H27 | 109.4° | 109.4° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H30 | C21 | H32 | 109.5° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H36 | C27 | H38 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.4° |
| H39 | C26 | H41 | 109.5° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C9 | H16 | 120.5° | 119.8° |
| C12 | C11 | C9 | H17 | 120.5° | 119.7° |
| C11 | C12 | C13 | H18 | 120.9° | 120.4° |
| C11 | C12 | C13 | H19 | 120.8° | 120.4° |
| C12 | C11 | C9 | C8 | 44.4° | 57.8° |
| C11 | C12 | C13 | C18 | 63.6° | 66.4° |
| C11 | C12 | C13 | C14 | 49.2° | 58.1° |
| C11 | C12 | C13 | C17 | 158.9° | 170.2° |
| C12 | C11 | C9 | H12 | 165.2° | 61.7° |
| C12 | C11 | C9 | H13 | 76.4° | 177.3° |
| C12 | C11 | H16 | H17 | 118.4° | 120.5° |
| C11 | C12 | H18 | H19 | 117.3° | 119.2° |
| C9 | C11 | C12 | C13 | 48.1° | 65.9° |
| C11 | C9 | C8 | H12 | 120.8° | 119.5° |
| C11 | C9 | C8 | H13 | 120.8° | 119.5° |
| C11 | C9 | C8 | C7 | 130.6° | 129.9° |
| C11 | C9 | C8 | C14 | 49.3° | 49.8° |
| C11 | C9 | H12 | H13 | 117.5° | 121.0° |
| C9 | C11 | H16 | H17 | 118.5° | 120.4° |
| C9 | C11 | C12 | H18 | 72.8° | 54.6° |
| C9 | C11 | C12 | H19 | 168.9° | 173.7° |
| C12 | C13 | C18 | C14 | 116.2° | 124.0° |
| C12 | C13 | C18 | C17 | 142.0° | 120.4° |
| C12 | C13 | C14 | C17 | 127.6° | 114.5° |
| C12 | C13 | C14 | C8 | 50.8° | 44.7° |
| C12 | C13 | C14 | C15 | 128.1° | 75.2° |
| C12 | C13 | C17 | C20 | 93.9° | 149.1° |
| C12 | C13 | C17 | C16 | 140.5° | 91.9° |
| C13 | C12 | C11 | H16 | 72.4° | 174.4° |
| C13 | C12 | C11 | H17 | 168.6° | 53.8° |
| C13 | C12 | H18 | H19 | 117.3° | 119.2° |
| C12 | C13 | C14 | H20 | 141.4° | 167.0° |
| C12 | C13 | C17 | H25 | 23.0° | 27.6° |
| C12 | C13 | C18 | H26 | 180.0° | 54.3° |
| C12 | C13 | C18 | H27 | 60.0° | 174.3° |
| C12 | C13 | C18 | H28 | 60.0° | 65.7° |
| C9 | C8 | C7 | C6 | 0.0° | 6.4° |
| C9 | C8 | C14 | C13 | 51.1° | 43.6° |
| C9 | C8 | C7 | C14 | 179.9° | 179.7° |
| C9 | C8 | C14 | C15 | 127.4° | 71.3° |
| C9 | C8 | C7 | H11 | 180.0° | 173.6° |
| C8 | C9 | H12 | H13 | 117.5° | 120.9° |
| C8 | C9 | C11 | H16 | 76.1° | 177.6° |
| C8 | C9 | C11 | H17 | 164.9° | 61.9° |
| C9 | C8 | C14 | H20 | 141.6° | 166.0° |
| C26 | C25 | C24 | C27 | 122.8° | 120.0° |
| C26 | C25 | C24 | O3 | 118.4° | 120.0° |
| C26 | C25 | C27 | O3 | 123.0° | 120.0° |
| C26 | C25 | C24 | C23 | 110.8° | 20.8° |
| C26 | C25 | C27 | H36 | 180.0° | 60.0° |
| C26 | C25 | C27 | H37 | 60.0° | 60.0° |
| C26 | C25 | C27 | H38 | 60.0° | 180.0° |
| C25 | C26 | H39 | H40 | 120.0° | 120.0° |
| C25 | C26 | H39 | H41 | 120.0° | 120.1° |
| C25 | C26 | H40 | H41 | 120.0° | 120.1° |
| C26 | C25 | O3 | H42 | 180.0° | 60.0° |
| C3 | C4 | C5 | H6 | 119.6° | 119.7° |
| C3 | C4 | C5 | H7 | 119.6° | 119.7° |
| C3 | C4 | C5 | C6 | 155.5° | 128.6° |
| C4 | C3 | O2 | C2 | 119.3° | 119.9° |
| C4 | C3 | O2 | H5 | 120.8° | 120.0° |
| C4 | C3 | C2 | H5 | 117.1° | 120.0° |
| C3 | C4 | C5 | C10 | 70.9° | 51.4° |
| C4 | C3 | C2 | C1 | 57.7° | 63.6° |
| C4 | C3 | O2 | H1 | 180.0° | 60.1° |
| C4 | C3 | C2 | H3 | 62.6° | 56.5° |
| C4 | C3 | C2 | H4 | 177.9° | 176.3° |
| C3 | C4 | H6 | H7 | 121.1° | 120.5° |
| C4 | C5 | C6 | C10 | 129.7° | 180.0° |
| C4 | C5 | C6 | C7 | 164.1° | 175.1° |
| C5 | C4 | C3 | O2 | 55.0° | 174.6° |
| C5 | C4 | C3 | C2 | 66.0° | 54.6° |
| C4 | C5 | C10 | C1 | 72.5° | 51.4° |
| C5 | C4 | C3 | H5 | 177.1° | 65.3° |
| C5 | C4 | H6 | H7 | 121.1° | 120.5° |
| C4 | C5 | C6 | H9 | 15.8° | 4.9° |
| C4 | C5 | C10 | H14 | 167.5° | 171.1° |
| C4 | C5 | C10 | H15 | 47.6° | 68.3° |
| C18 | C13 | C14 | C17 | 115.2° | 121.0° |
| C18 | C13 | C14 | C8 | 66.4° | 79.9° |
| C18 | C13 | C14 | C15 | 114.7° | 160.3° |
| C18 | C13 | C17 | C20 | 42.5° | 26.2° |
| C18 | C13 | C17 | C16 | 83.1° | 145.3° |
| C18 | C13 | C12 | H18 | 175.5° | 173.2° |
| C18 | C13 | C12 | H19 | 57.3° | 54.0° |
| C18 | C13 | C14 | H20 | 24.2° | 42.5° |
| C18 | C13 | C17 | H25 | 159.4° | 95.3° |
| C13 | C18 | H26 | H27 | 120.0° | 119.9° |
| C13 | C18 | H26 | H28 | 120.0° | 120.0° |
| C13 | C18 | H27 | H28 | 120.0° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.3° | 174.6° |
| C6 | C5 | C10 | C1 | 145.6° | 128.7° |
| C6 | C5 | C4 | H6 | 35.8° | 111.6° |
| C6 | C5 | C4 | H7 | 84.9° | 8.9° |
| C5 | C6 | C7 | H11 | 0.7° | 5.4° |
| C6 | C5 | C10 | H14 | 25.6° | 8.9° |
| C6 | C5 | C10 | H15 | 94.3° | 111.7° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C14 | 179.9° | 173.9° |
| C7 | C6 | C5 | C10 | 34.4° | 4.9° |
| C13 | C14 | C8 | C7 | 128.8° | 136.1° |
| C13 | C14 | C8 | C15 | 178.5° | 114.9° |
| C13 | C14 | C8 | H20 | 90.5° | 122.4° |
| C13 | C14 | C15 | H20 | 90.5° | 117.4° |
| C14 | C13 | C17 | C20 | 149.5° | 94.1° |
| C14 | C13 | C17 | C16 | 23.9° | 24.9° |
| C13 | C14 | C15 | C16 | 22.8° | 38.7° |
| C14 | C13 | C12 | H18 | 71.7° | 62.3° |
| C14 | C13 | C12 | H19 | 170.0° | 178.5° |
| C13 | C14 | C15 | H21 | 142.1° | 157.2° |
| C13 | C14 | C15 | H22 | 96.4° | 79.8° |
| C14 | C13 | C17 | H25 | 93.6° | 144.4° |
| C14 | C13 | C18 | H26 | 63.8° | 69.6° |
| C14 | C13 | C18 | H27 | 176.2° | 50.3° |
| C14 | C13 | C18 | H28 | 56.3° | 170.3° |
| C17 | C13 | C14 | C8 | 178.4° | 159.1° |
| C17 | C13 | C14 | C15 | 0.5° | 39.3° |
| C13 | C17 | C20 | C16 | 122.7° | 117.0° |
| C13 | C17 | C20 | H25 | 116.9° | 121.5° |
| C13 | C17 | C20 | C21 | 149.1° | 174.0° |
| C13 | C17 | C20 | C22 | 95.8° | 66.0° |
| C13 | C17 | C16 | H25 | 116.8° | 119.4° |
| C13 | C17 | C16 | C15 | 40.5° | 1.0° |
| C17 | C13 | C12 | H18 | 38.1° | 49.7° |
| C17 | C13 | C12 | H19 | 80.2° | 69.5° |
| C17 | C13 | C14 | H20 | 91.0° | 78.5° |
| C13 | C17 | C16 | H23 | 159.7° | 120.4° |
| C13 | C17 | C16 | H24 | 78.7° | 118.2° |
| C17 | C13 | C18 | H26 | 38.0° | 174.8° |
| C17 | C13 | C18 | H27 | 82.0° | 65.3° |
| C17 | C13 | C18 | H28 | 158.0° | 54.7° |
| C13 | C17 | C20 | H29 | 30.9° | 54.0° |
| O2 | C3 | C2 | H5 | 121.2° | 120.0° |
| O2 | C3 | C2 | C1 | 64.0° | 176.4° |
| O2 | C3 | C2 | H3 | 175.8° | 63.4° |
| O2 | C3 | C2 | H4 | 56.3° | 56.3° |
| O2 | C3 | C4 | H6 | 64.6° | 54.9° |
| O2 | C3 | C4 | H7 | 174.7° | 65.7° |
| C3 | C2 | C1 | C10 | 56.4° | 63.6° |
| C3 | C2 | C1 | H3 | 120.2° | 120.1° |
| C3 | C2 | C1 | H4 | 120.2° | 120.1° |
| C3 | C2 | C1 | O1 | 179.1° | 56.4° |
| C2 | C3 | O2 | H1 | 60.7° | 180.0° |
| C3 | C2 | C1 | H2 | 61.3° | 176.4° |
| C3 | C2 | H3 | H4 | 119.2° | 119.7° |
| C2 | C3 | C4 | H6 | 174.4° | 65.1° |
| C2 | C3 | C4 | H7 | 53.6° | 174.3° |
| C7 | C8 | C14 | C15 | 52.7° | 109.0° |
| C8 | C7 | C6 | H9 | 0.7° | 5.5° |
| C7 | C8 | C9 | H12 | 9.9° | 110.6° |
| C7 | C8 | C9 | H13 | 108.6° | 10.4° |
| C7 | C8 | C14 | H20 | 38.3° | 13.8° |
| C8 | C14 | C15 | H20 | 91.0° | 122.4° |
| C8 | C14 | C15 | C16 | 158.6° | 158.8° |
| C14 | C8 | C7 | H11 | 0.1° | 6.2° |
| C14 | C8 | C9 | H12 | 170.1° | 69.7° |
| C14 | C8 | C9 | H13 | 71.5° | 169.4° |
| C8 | C14 | C15 | H21 | 39.4° | 82.6° |
| C8 | C14 | C15 | H22 | 82.2° | 40.3° |
| C5 | C10 | C1 | H14 | 120.0° | 119.7° |
| C5 | C10 | C1 | H15 | 120.1° | 119.7° |
| C5 | C10 | C1 | C2 | 63.8° | 54.6° |
| C5 | C10 | C1 | O1 | 179.7° | 65.3° |
| C5 | C10 | C1 | H2 | 53.6° | 174.6° |
| C10 | C5 | C4 | H6 | 169.5° | 68.4° |
| C10 | C5 | C4 | H7 | 48.7° | 171.1° |
| C10 | C5 | C6 | H9 | 145.6° | 175.1° |
| C5 | C10 | H14 | H15 | 119.9° | 120.5° |
| C24 | C25 | C27 | O3 | 115.0° | 120.0° |
| C25 | C24 | C23 | C22 | 3.9° | NaN° |
| C24 | C25 | C27 | H36 | 58.0° | 60.0° |
| C24 | C25 | C27 | H37 | 178.0° | 180.0° |
| C24 | C25 | C27 | H38 | 62.0° | 60.0° |
| C24 | C25 | C26 | H39 | 180.0° | 60.1° |
| C24 | C25 | C26 | H40 | 60.0° | 180.0° |
| C24 | C25 | C26 | H41 | 60.0° | 60.0° |
| C24 | C25 | O3 | H42 | 63.0° | 179.9° |
| C27 | C25 | C24 | C23 | 126.4° | 140.7° |
| C25 | C27 | H36 | H37 | 120.0° | 120.0° |
| C25 | C27 | H36 | H38 | 120.0° | 120.0° |
| C25 | C27 | H37 | H38 | 120.0° | 120.0° |
| C27 | C25 | C26 | H39 | 56.1° | 180.0° |
| C27 | C25 | C26 | H40 | 176.1° | 60.0° |
| C27 | C25 | C26 | H41 | 63.9° | 60.0° |
| C27 | C25 | O3 | H42 | 57.3° | 60.0° |
| O3 | C25 | C24 | C23 | 7.7° | 99.3° |
| O3 | C25 | C27 | H36 | 56.9° | 180.0° |
| O3 | C25 | C27 | H37 | 63.1° | 60.0° |
| O3 | C25 | C27 | H38 | 177.0° | 60.0° |
| O3 | C25 | C26 | H39 | 66.3° | 60.0° |
| O3 | C25 | C26 | H40 | 53.7° | 60.0° |
| O3 | C25 | C26 | H41 | 173.7° | 180.0° |
| C10 | C1 | C2 | O1 | 122.7° | 120.0° |
| C10 | C1 | C2 | H2 | 117.6° | 120.1° |
| C10 | C1 | O1 | H2 | 125.2° | 120.1° |
| C10 | C1 | C2 | H3 | 63.9° | 56.5° |
| C10 | C1 | C2 | H4 | 176.6° | 176.4° |
| C1 | C10 | H14 | H15 | 119.9° | 120.4° |
| C10 | C1 | O1 | H35 | 180.0° | 60.1° |
| C14 | C15 | C16 | C17 | 38.1° | 23.2° |
| C14 | C15 | C16 | H21 | 119.2° | 118.5° |
| C14 | C15 | C16 | H22 | 119.2° | 118.6° |
| C14 | C15 | H21 | H22 | 122.2° | 122.9° |
| C14 | C15 | C16 | H23 | 157.3° | 96.2° |
| C14 | C15 | C16 | H24 | 81.2° | 142.5° |
| C24 | C23 | C22 | C20 | 78.2° | 140.7° |
| C24 | C23 | C22 | H33 | 160.7° | 20.7° |
| C24 | C23 | C22 | H34 | 43.0° | 99.3° |
| C2 | C1 | O1 | H2 | 118.4° | 120.0° |
| C1 | C2 | H3 | H4 | 119.2° | 119.9° |
| C1 | C2 | C3 | H5 | 174.8° | 56.4° |
| C2 | C1 | C10 | H14 | 176.2° | 174.3° |
| C2 | C1 | C10 | H15 | 56.3° | 65.1° |
| C2 | C1 | O1 | H35 | 63.6° | 180.0° |
| C17 | C20 | C21 | C22 | 124.4° | 120.0° |
| C17 | C20 | C21 | H29 | 117.4° | 120.0° |
| C17 | C20 | C22 | H29 | 126.4° | 120.0° |
| C20 | C17 | C16 | H25 | 119.8° | 121.4° |
| C17 | C20 | C22 | C23 | 161.2° | 176.7° |
| C20 | C17 | C16 | C15 | 163.9° | 118.2° |
| C20 | C17 | C16 | H23 | 76.9° | 1.2° |
| C20 | C17 | C16 | H24 | 44.7° | 122.6° |
| C17 | C20 | C21 | H30 | 180.0° | 64.9° |
| C17 | C20 | C21 | H31 | 60.0° | 175.1° |
| C17 | C20 | C21 | H32 | 60.0° | 55.1° |
| C17 | C20 | C22 | H33 | 40.0° | 56.7° |
| C17 | C20 | C22 | H34 | 77.7° | 63.3° |
| C21 | C20 | C22 | H29 | 118.7° | 120.0° |
| C21 | C20 | C17 | C16 | 88.2° | 69.0° |
| C21 | C20 | C22 | C23 | 84.0° | 63.3° |
| C21 | C20 | C17 | H25 | 32.2° | 52.5° |
| C20 | C21 | H30 | H31 | 120.0° | 120.0° |
| C20 | C21 | H30 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C21 | C20 | C22 | H33 | 154.9° | 176.7° |
| C21 | C20 | C22 | H34 | 37.2° | 56.7° |
| C22 | C20 | C17 | C16 | 26.8° | 51.0° |
| C20 | C22 | C23 | H33 | 121.1° | 120.0° |
| C20 | C22 | C23 | H34 | 121.1° | 120.0° |
| C22 | C20 | C17 | H25 | 147.3° | 172.5° |
| C22 | C20 | C21 | H30 | 55.6° | 175.2° |
| C22 | C20 | C21 | H31 | 64.4° | 55.1° |
| C22 | C20 | C21 | H32 | 175.6° | 64.9° |
| C20 | C22 | H33 | H34 | 116.4° | 120.0° |
| C17 | C16 | C15 | H23 | 119.2° | 119.4° |
| C17 | C16 | C15 | H24 | 119.2° | 119.3° |
| C17 | C16 | C15 | H21 | 157.3° | 141.8° |
| C17 | C16 | C15 | H22 | 81.1° | 95.3° |
| C17 | C16 | H23 | H24 | 122.2° | 121.4° |
| C16 | C17 | C20 | H29 | 153.5° | 171.0° |
| C23 | C22 | C20 | H29 | 34.7° | 56.7° |
| C23 | C22 | H33 | H34 | 116.4° | 120.0° |
| O1 | C1 | C2 | H3 | 58.8° | 176.5° |
| O1 | C1 | C2 | H4 | 60.7° | 63.6° |
| O1 | C1 | C10 | H14 | 59.7° | 54.4° |
| O1 | C1 | C10 | H15 | 60.3° | 174.9° |
| C16 | C15 | C14 | H20 | 67.6° | 78.7° |
| C16 | C15 | H21 | H22 | 122.3° | 122.8° |
| C15 | C16 | H23 | H24 | 122.2° | 121.3° |
| C15 | C16 | C17 | H25 | 76.3° | 120.4° |
| H1 | O2 | C3 | H5 | 59.2° | 59.9° |
| H2 | C1 | C2 | H3 | 178.5° | 63.6° |
| H2 | C1 | C2 | H4 | 59.0° | 56.3° |
| H2 | C1 | C10 | H14 | 66.4° | 65.6° |
| H2 | C1 | C10 | H15 | 173.7° | 54.9° |
| H2 | C1 | O1 | H35 | 54.8° | 60.0° |
| H3 | C2 | C3 | H5 | 54.5° | 176.5° |
| H4 | C2 | C3 | H5 | 64.9° | 63.8° |
| H5 | C3 | C4 | H6 | 57.4° | 174.9° |
| H5 | C3 | C4 | H7 | 63.3° | 54.4° |
| H9 | C6 | C7 | H11 | 179.3° | 174.6° |
| H12 | C9 | C11 | H16 | 44.7° | 58.0° |
| H12 | C9 | C11 | H17 | 74.3° | 178.6° |
| H13 | C9 | C11 | H16 | 163.1° | 63.0° |
| H13 | C9 | C11 | H17 | 44.1° | 57.6° |
| H16 | C11 | C12 | H18 | 166.7° | 65.1° |
| H16 | C11 | C12 | H19 | 48.4° | 54.0° |
| H17 | C11 | C12 | H18 | 47.7° | 174.3° |
| H17 | C11 | C12 | H19 | 70.5° | 66.6° |
| H20 | C14 | C15 | H21 | 51.6° | 39.8° |
| H20 | C14 | C15 | H22 | 173.1° | 162.7° |
| H21 | C15 | C16 | H23 | 83.4° | 22.4° |
| H21 | C15 | C16 | H24 | 38.1° | 98.9° |
| H22 | C15 | C16 | H23 | 38.1° | 145.3° |
| H22 | C15 | C16 | H24 | 159.7° | 24.0° |
| H23 | C16 | C17 | H25 | 42.9° | 120.2° |
| H24 | C16 | C17 | H25 | 164.4° | 1.2° |
| H25 | C17 | C20 | H29 | 86.0° | 67.5° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H29 | C20 | C21 | H30 | 62.6° | 55.2° |
| H29 | C20 | C21 | H31 | 177.4° | 64.9° |
| H29 | C20 | C21 | H32 | 57.4° | 175.1° |
| H29 | C20 | C22 | H33 | 86.4° | 63.3° |
| H29 | C20 | C22 | H34 | 155.9° | 176.7° |
| H30 | C21 | H31 | H32 | 120.0° | 119.9° |
| H36 | C27 | H37 | H38 | 120.0° | 120.0° |
| H39 | C26 | H40 | H41 | 120.0° | 120.0° |
