3KL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OT2 | C24 | doub | 1.21Å | 1.27Å | |
| OT1 | C24 | sing | 1.34Å | 1.24Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C20 | C17 | sing | 1.53Å | 1.64Å | |
| C16 | C17 | sing | 1.55Å | 1.62Å | |
| C16 | C15 | sing | 1.55Å | 1.49Å | |
| C17 | C13 | sing | 1.52Å | 1.58Å | |
| C15 | C14 | sing | 1.53Å | 1.61Å | |
| C14 | C13 | sing | 1.55Å | 1.60Å | |
| C14 | C8 | sing | 1.52Å | 1.60Å | |
| C13 | C12 | sing | 1.52Å | 1.59Å | |
| C13 | C18 | sing | 1.53Å | 1.67Å | |
| C12 | C11 | sing | 1.54Å | 1.57Å | |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C7 | C6 | sing | 1.53Å | 1.62Å | |
| C8 | C9 | sing | 1.54Å | 1.65Å | |
| C4 | C3 | sing | 1.51Å | 1.66Å | |
| C4 | C5 | sing | 1.53Å | 1.67Å | |
| O3 | C3 | doub | 1.21Å | 1.24Å | |
| C3 | C2 | sing | 1.51Å | 1.60Å | |
| C9 | C11 | sing | 1.52Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.65Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C6 | C5 | sing | 1.53Å | 1.64Å | |
| C5 | C10 | sing | 1.53Å | 1.65Å | |
| C10 | C1 | sing | 1.53Å | 1.63Å | |
| C10 | C19 | sing | 1.53Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| OT1 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OT2 | C24 | OT1 | 122.4° | 120.0° |
| OT2 | C24 | C23 | 120.7° | 120.0° |
| OT1 | C24 | C23 | 116.8° | 120.0° |
| C24 | OT1 | H38 | 109.5° | 117.0° |
| C24 | C23 | C22 | 113.4° | 109.4° |
| C24 | C23 | H36 | 108.5° | 109.4° |
| C24 | C23 | H37 | 108.5° | 109.5° |
| C23 | C22 | C20 | 119.8° | 109.5° |
| C23 | C22 | H34 | 106.9° | 109.5° |
| C23 | C22 | H35 | 106.8° | 109.5° |
| C22 | C23 | H36 | 108.5° | 109.5° |
| C22 | C23 | H37 | 108.5° | 109.5° |
| C22 | C20 | C21 | 110.1° | 109.5° |
| C22 | C20 | C17 | 107.0° | 109.5° |
| C22 | C20 | H30 | 110.8° | 109.5° |
| C20 | C22 | H34 | 106.8° | 109.5° |
| C20 | C22 | H35 | 106.8° | 109.5° |
| C21 | C20 | C17 | 110.1° | 109.5° |
| C21 | C20 | H30 | 109.5° | 109.5° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C17 | C16 | 110.9° | 110.3° |
| C20 | C17 | C13 | 118.0° | 110.2° |
| C20 | C17 | H23 | 108.1° | 110.3° |
| C17 | C20 | H30 | 109.3° | 109.4° |
| C17 | C16 | C15 | 109.8° | 106.4° |
| C16 | C17 | C13 | 102.6° | 105.4° |
| C17 | C16 | H21 | 109.4° | 110.1° |
| C17 | C16 | H22 | 109.4° | 110.1° |
| C16 | C17 | H23 | 108.2° | 110.3° |
| C16 | C15 | C14 | 96.9° | 102.9° |
| C16 | C15 | H19 | 112.5° | 110.7° |
| C16 | C15 | H20 | 112.5° | 110.9° |
| C15 | C16 | H21 | 109.4° | 110.1° |
| C15 | C16 | H22 | 109.4° | 110.0° |
| C17 | C13 | C14 | 97.1° | 103.3° |
| C17 | C13 | C12 | 119.7° | 116.6° |
| C17 | C13 | C18 | 113.1° | 109.7° |
| C13 | C17 | H23 | 108.7° | 110.3° |
| C15 | C14 | C13 | 101.1° | 101.7° |
| C15 | C14 | C8 | 116.5° | 115.9° |
| C15 | C14 | H18 | 107.4° | 111.0° |
| C14 | C15 | H19 | 112.5° | 110.7° |
| C14 | C15 | H20 | 112.5° | 110.7° |
| C13 | C14 | C8 | 116.2° | 107.0° |
| C14 | C13 | C12 | 108.7° | 107.5° |
| C14 | C13 | C18 | 111.3° | 109.7° |
| C13 | C14 | H18 | 107.6° | 110.5° |
| C14 | C8 | C7 | 110.9° | 110.5° |
| C14 | C8 | C9 | 108.2° | 107.2° |
| C14 | C8 | H12 | 109.5° | 110.4° |
| C8 | C14 | H18 | 107.5° | 110.3° |
| C12 | C13 | C18 | 106.5° | 109.8° |
| C13 | C12 | C11 | 112.9° | 107.3° |
| C13 | C12 | H16 | 108.6° | 109.9° |
| C13 | C12 | H17 | 108.6° | 109.9° |
| C13 | C18 | H24 | 109.5° | 109.4° |
| C13 | C18 | H25 | 109.5° | 109.5° |
| C13 | C18 | H26 | 109.5° | 109.4° |
| C12 | C11 | C9 | 115.5° | 111.3° |
| C12 | C11 | H14 | 107.9° | 109.1° |
| C12 | C11 | H15 | 107.9° | 109.1° |
| C11 | C12 | H16 | 108.6° | 109.9° |
| C11 | C12 | H17 | 108.6° | 109.9° |
| C8 | C7 | C6 | 111.9° | 109.6° |
| C7 | C8 | C9 | 109.8° | 109.3° |
| C8 | C7 | H10 | 108.9° | 109.4° |
| C8 | C7 | H11 | 108.8° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.7° |
| C7 | C6 | C5 | 110.9° | 109.3° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| C7 | C6 | H7 | 109.1° | 109.6° |
| C6 | C7 | H10 | 108.9° | 109.5° |
| C6 | C7 | H11 | 108.9° | 109.4° |
| C8 | C9 | C11 | 109.7° | 111.5° |
| C8 | C9 | C10 | 115.7° | 109.1° |
| C9 | C8 | H12 | 108.9° | 109.7° |
| C8 | C9 | H13 | 104.2° | 108.9° |
| C3 | C4 | C5 | 113.9° | 108.7° |
| C4 | C3 | O3 | 126.0° | 120.9° |
| C4 | C3 | C2 | 111.5° | 118.2° |
| C3 | C4 | H3 | 108.4° | 109.6° |
| C3 | C4 | H4 | 108.4° | 109.6° |
| C4 | C5 | C6 | 114.3° | 108.9° |
| C4 | C5 | C10 | 108.2° | 109.3° |
| C5 | C4 | H3 | 108.4° | 109.6° |
| C5 | C4 | H4 | 108.3° | 109.6° |
| C4 | C5 | H5 | 107.8° | 109.7° |
| O3 | C3 | C2 | 122.5° | 120.9° |
| C3 | C2 | C1 | 109.6° | 108.4° |
| C3 | C2 | H1 | 109.5° | 109.6° |
| C3 | C2 | H2 | 109.4° | 109.7° |
| C11 | C9 | C10 | 116.3° | 110.1° |
| C11 | C9 | H13 | 105.1° | 108.9° |
| C9 | C11 | H14 | 108.0° | 109.1° |
| C9 | C11 | H15 | 108.0° | 109.1° |
| C9 | C10 | C5 | 108.1° | 109.4° |
| C9 | C10 | C1 | 108.6° | 110.0° |
| C9 | C10 | C19 | 112.1° | 109.3° |
| C10 | C9 | H13 | 104.3° | 108.3° |
| C2 | C1 | C10 | 115.6° | 109.6° |
| C1 | C2 | H1 | 109.4° | 109.7° |
| C1 | C2 | H2 | 109.5° | 109.7° |
| C2 | C1 | H8 | 107.9° | 109.5° |
| C2 | C1 | H9 | 107.9° | 109.5° |
| C6 | C5 | C10 | 110.2° | 109.0° |
| C6 | C5 | H5 | 108.1° | 110.2° |
| C5 | C6 | H6 | 109.1° | 109.5° |
| C5 | C6 | H7 | 109.1° | 109.5° |
| C5 | C10 | C1 | 112.0° | 110.1° |
| C5 | C10 | C19 | 112.4° | 109.3° |
| C10 | C5 | H5 | 108.0° | 109.6° |
| C1 | C10 | C19 | 103.6° | 108.8° |
| C10 | C1 | H8 | 107.9° | 109.5° |
| C10 | C1 | H9 | 107.9° | 109.4° |
| C10 | C19 | H27 | 109.5° | 109.4° |
| C10 | C19 | H28 | 109.5° | 109.5° |
| C10 | C19 | H29 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.7° |
| H3 | C4 | H4 | 109.5° | 109.7° |
| H6 | C6 | H7 | 109.4° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.1° |
| H16 | C12 | H17 | 109.5° | 109.9° |
| H19 | C15 | H20 | 109.5° | 110.7° |
| H21 | C16 | H22 | 109.4° | 110.1° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.4° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.4° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.4° | 109.5° |
| H31 | C21 | H33 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OT2 | C24 | OT1 | C23 | 177.9° | 180.0° |
| OT2 | C24 | C23 | C22 | 19.6° | 0.0° |
| OT2 | C24 | C23 | H36 | 140.2° | 120.0° |
| OT2 | C24 | C23 | H37 | 101.0° | 120.0° |
| OT2 | C24 | OT1 | H38 | 0.0° | 0.0° |
| OT1 | C24 | C23 | C22 | 158.4° | 180.0° |
| OT1 | C24 | C23 | H36 | 37.8° | 60.0° |
| OT1 | C24 | C23 | H37 | 81.0° | 60.0° |
| C24 | C23 | C22 | H36 | 120.6° | 119.9° |
| C24 | C23 | C22 | H37 | 120.6° | 120.0° |
| C24 | C23 | C22 | C20 | 177.4° | 180.0° |
| C24 | C23 | C22 | H34 | 61.1° | 60.0° |
| C24 | C23 | C22 | H35 | 55.9° | 60.0° |
| C24 | C23 | H36 | H37 | 118.2° | 120.0° |
| C23 | C24 | OT1 | H38 | 177.9° | 179.9° |
| C23 | C22 | C20 | H34 | 121.5° | 120.0° |
| C23 | C22 | C20 | H35 | 121.4° | 120.0° |
| C23 | C22 | C20 | C21 | 61.2° | 65.0° |
| C23 | C22 | C20 | C17 | 179.1° | 175.0° |
| C23 | C22 | C20 | H30 | 60.1° | 55.0° |
| C23 | C22 | H34 | H35 | 115.3° | 120.0° |
| C22 | C23 | H36 | H37 | 118.2° | 120.0° |
| C22 | C20 | C21 | C17 | 117.8° | 120.0° |
| C22 | C20 | C21 | H30 | 122.0° | 120.0° |
| C22 | C20 | C17 | H30 | 120.0° | 120.0° |
| C22 | C20 | C17 | C16 | 60.1° | 61.4° |
| C22 | C20 | C17 | C13 | 178.0° | 177.4° |
| C22 | C20 | C17 | H23 | 58.4° | 60.6° |
| C22 | C20 | C21 | H31 | 180.0° | 180.0° |
| C22 | C20 | C21 | H32 | 60.0° | 60.0° |
| C22 | C20 | C21 | H33 | 60.0° | 60.0° |
| C20 | C22 | H34 | H35 | 115.3° | 120.0° |
| C20 | C22 | C23 | H36 | 56.8° | 60.0° |
| C20 | C22 | C23 | H37 | 62.0° | 60.0° |
| C21 | C20 | C17 | H30 | 120.3° | 120.0° |
| C21 | C20 | C17 | C16 | 179.8° | 178.5° |
| C21 | C20 | C17 | C13 | 62.4° | 62.6° |
| C21 | C20 | C17 | H23 | 61.3° | 59.5° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H33 | 120.0° | 120.0° |
| C20 | C21 | H32 | H33 | 120.0° | 120.0° |
| C21 | C20 | C22 | H34 | 60.3° | 175.0° |
| C21 | C20 | C22 | H35 | 177.3° | 55.0° |
| C20 | C17 | C16 | C13 | 126.9° | 119.0° |
| C20 | C17 | C16 | H23 | 118.4° | 122.0° |
| C20 | C17 | C16 | C15 | 128.2° | 122.4° |
| C20 | C17 | C13 | H23 | 123.4° | 122.0° |
| C20 | C17 | C13 | C14 | 155.5° | 148.2° |
| C20 | C17 | C13 | C12 | 88.2° | 94.3° |
| C20 | C17 | C13 | C18 | 38.6° | 31.3° |
| C20 | C17 | C16 | H21 | 111.8° | 3.1° |
| C20 | C17 | C16 | H22 | 8.1° | 118.4° |
| C17 | C20 | C21 | H31 | 62.2° | 60.0° |
| C17 | C20 | C21 | H32 | 177.8° | 180.0° |
| C17 | C20 | C21 | H33 | 57.8° | 60.1° |
| C17 | C20 | C22 | H34 | 59.4° | 55.0° |
| C17 | C20 | C22 | H35 | 57.7° | 65.0° |
| C17 | C16 | C15 | H21 | 120.1° | 119.3° |
| C17 | C16 | C15 | H22 | 120.1° | 119.2° |
| C16 | C17 | C13 | H23 | 114.4° | 119.0° |
| C17 | C16 | C15 | C14 | 31.1° | 23.9° |
| C16 | C17 | C13 | C14 | 33.3° | 29.2° |
| C16 | C17 | C13 | C12 | 149.6° | 146.8° |
| C16 | C17 | C13 | C18 | 83.5° | 87.7° |
| C17 | C16 | C15 | H19 | 149.0° | 94.4° |
| C17 | C16 | C15 | H20 | 86.8° | 142.3° |
| C17 | C16 | H21 | H22 | 119.8° | 121.5° |
| C16 | C17 | C20 | H30 | 59.9° | 58.6° |
| C15 | C16 | C17 | C13 | 1.3° | 3.5° |
| C16 | C15 | C14 | H19 | 117.9° | 118.3° |
| C16 | C15 | C14 | H20 | 117.9° | 118.5° |
| C16 | C15 | C14 | C13 | 53.2° | 41.6° |
| C16 | C15 | C14 | C8 | 180.0° | 157.2° |
| C16 | C15 | C14 | H18 | 59.4° | 75.9° |
| C16 | C15 | H19 | H20 | 125.9° | 123.4° |
| C15 | C16 | H21 | H22 | 119.8° | 121.5° |
| C15 | C16 | C17 | H23 | 113.5° | 115.5° |
| C17 | C13 | C14 | C15 | 54.2° | 44.4° |
| C17 | C13 | C14 | C12 | 124.7° | 123.8° |
| C17 | C13 | C14 | C18 | 118.2° | 116.9° |
| C17 | C13 | C14 | C8 | 178.7° | 166.3° |
| C17 | C13 | C12 | C18 | 129.8° | 125.5° |
| C17 | C13 | C12 | C11 | 160.3° | 179.5° |
| C17 | C13 | C12 | H16 | 79.2° | 60.0° |
| C17 | C13 | C12 | H17 | 39.8° | 61.0° |
| C17 | C13 | C14 | H18 | 58.2° | 73.5° |
| C13 | C17 | C16 | H21 | 121.4° | 115.8° |
| C13 | C17 | C16 | H22 | 118.8° | 122.6° |
| C17 | C13 | C18 | H24 | 180.0° | 173.1° |
| C17 | C13 | C18 | H25 | 60.0° | 53.0° |
| C17 | C13 | C18 | H26 | 60.0° | 67.0° |
| C13 | C17 | C20 | H30 | 58.0° | 57.4° |
| C15 | C14 | C13 | C8 | 127.1° | 122.0° |
| C15 | C14 | C13 | H18 | 112.4° | 117.9° |
| C15 | C14 | C8 | H18 | 120.5° | 127.2° |
| C15 | C14 | C13 | C12 | 178.9° | 168.1° |
| C15 | C14 | C13 | C18 | 64.0° | 72.6° |
| C15 | C14 | C8 | C7 | 65.0° | 63.8° |
| C15 | C14 | C8 | C9 | 174.5° | 177.2° |
| C15 | C14 | C8 | H12 | 56.0° | 57.8° |
| C14 | C15 | H19 | H20 | 125.9° | 123.2° |
| C14 | C15 | C16 | H21 | 89.0° | 143.2° |
| C14 | C15 | C16 | H22 | 151.1° | 95.3° |
| C13 | C14 | C8 | H18 | 120.5° | 120.2° |
| C14 | C13 | C12 | C18 | 120.1° | 119.3° |
| C14 | C13 | C12 | C11 | 50.2° | 64.3° |
| C13 | C14 | C8 | C7 | 176.0° | 176.3° |
| C13 | C14 | C8 | C9 | 55.5° | 64.6° |
| C13 | C14 | C8 | H12 | 63.0° | 54.8° |
| C14 | C13 | C12 | H16 | 170.6° | 55.2° |
| C14 | C13 | C12 | H17 | 70.4° | 176.2° |
| C13 | C14 | C15 | H19 | 171.0° | 76.7° |
| C13 | C14 | C15 | H20 | 64.7° | 160.1° |
| C14 | C13 | C17 | H23 | 81.1° | 89.8° |
| C14 | C13 | C18 | H24 | 71.9° | 60.3° |
| C14 | C13 | C18 | H25 | 48.1° | 59.8° |
| C14 | C13 | C18 | H26 | 168.1° | 179.8° |
| C8 | C14 | C13 | C12 | 54.0° | 69.9° |
| C8 | C14 | C13 | C18 | 63.0° | 49.4° |
| C14 | C8 | C7 | C9 | 119.5° | 117.8° |
| C14 | C8 | C7 | H12 | 121.0° | 122.0° |
| C14 | C8 | C7 | C6 | 172.9° | 177.8° |
| C14 | C8 | C9 | H12 | 119.0° | 119.9° |
| C14 | C8 | C9 | C11 | 52.7° | 58.1° |
| C14 | C8 | C9 | C10 | 173.3° | 179.9° |
| C14 | C8 | C7 | H10 | 52.5° | 62.1° |
| C14 | C8 | C7 | H11 | 66.8° | 57.8° |
| C14 | C8 | C9 | H13 | 59.4° | 62.1° |
| C8 | C14 | C15 | H19 | 62.1° | 38.9° |
| C8 | C14 | C15 | H20 | 62.2° | 84.3° |
| C13 | C12 | C11 | H16 | 120.5° | 119.5° |
| C13 | C12 | C11 | H17 | 120.5° | 119.5° |
| C13 | C12 | C11 | C9 | 54.7° | 57.4° |
| C13 | C12 | C11 | H14 | 66.2° | 177.9° |
| C13 | C12 | C11 | H15 | 175.5° | 63.0° |
| C13 | C12 | H16 | H17 | 118.4° | 121.1° |
| C12 | C13 | C14 | H18 | 66.5° | 50.2° |
| C12 | C13 | C17 | H23 | 35.2° | 27.8° |
| C12 | C13 | C18 | H24 | 46.5° | 57.6° |
| C12 | C13 | C18 | H25 | 166.5° | 177.6° |
| C12 | C13 | C18 | H26 | 73.5° | 62.4° |
| C18 | C13 | C12 | C11 | 69.9° | 55.0° |
| C18 | C13 | C12 | H16 | 50.6° | 174.5° |
| C18 | C13 | C12 | H17 | 169.6° | 64.5° |
| C18 | C13 | C14 | H18 | 176.5° | 169.5° |
| C18 | C13 | C17 | H23 | 162.0° | 153.3° |
| C13 | C18 | H24 | H25 | 120.0° | 120.0° |
| C13 | C18 | H24 | H26 | 120.0° | 119.9° |
| C13 | C18 | H25 | H26 | 120.0° | 119.9° |
| C12 | C11 | C9 | C8 | 54.9° | 54.9° |
| C12 | C11 | C9 | H14 | 120.9° | 120.5° |
| C12 | C11 | C9 | H15 | 120.9° | 120.4° |
| C12 | C11 | C9 | C10 | 171.4° | 176.2° |
| C12 | C11 | C9 | H13 | 56.7° | 65.2° |
| C12 | C11 | H14 | H15 | 117.2° | 119.1° |
| C11 | C12 | H16 | H17 | 118.5° | 121.0° |
| C8 | C7 | C6 | H10 | 120.4° | 120.0° |
| C8 | C7 | C6 | H11 | 120.3° | 120.0° |
| C7 | C8 | C9 | H12 | 119.9° | 120.3° |
| C7 | C8 | C9 | C11 | 173.8° | 177.9° |
| C7 | C8 | C9 | C10 | 52.1° | 60.2° |
| C8 | C7 | C6 | C5 | 59.5° | 60.3° |
| C8 | C7 | C6 | H6 | 179.7° | 59.7° |
| C8 | C7 | C6 | H7 | 60.7° | 179.7° |
| C8 | C7 | H10 | H11 | 118.9° | 119.9° |
| C7 | C8 | C9 | H13 | 61.8° | 57.7° |
| C7 | C8 | C14 | H18 | 55.5° | 63.4° |
| C6 | C7 | C8 | C9 | 53.4° | 60.0° |
| C7 | C6 | C5 | C4 | 61.8° | 58.7° |
| C7 | C6 | C5 | H6 | 120.2° | 120.0° |
| C7 | C6 | C5 | H7 | 120.2° | 120.0° |
| C7 | C6 | C5 | C10 | 60.3° | 60.5° |
| C7 | C6 | C5 | H5 | 178.2° | 179.1° |
| C7 | C6 | H6 | H7 | 119.3° | 120.1° |
| C6 | C7 | H10 | H11 | 118.9° | 119.9° |
| C6 | C7 | C8 | H12 | 66.2° | 60.2° |
| C8 | C9 | C11 | C10 | 133.7° | 121.2° |
| C8 | C9 | C11 | H13 | 111.5° | 120.2° |
| C8 | C9 | C10 | H13 | 113.8° | 118.3° |
| C8 | C9 | C10 | C5 | 53.0° | 60.8° |
| C8 | C9 | C10 | C1 | 174.7° | 178.2° |
| C8 | C9 | C10 | C19 | 71.5° | 58.8° |
| C9 | C8 | C7 | H10 | 67.0° | 179.9° |
| C9 | C8 | C7 | H11 | 173.7° | 60.0° |
| C8 | C9 | C11 | H14 | 66.0° | 175.4° |
| C8 | C9 | C11 | H15 | 175.8° | 65.5° |
| C9 | C8 | C14 | H18 | 65.0° | 55.6° |
| C3 | C4 | C5 | H3 | 120.6° | 119.8° |
| C3 | C4 | C5 | H4 | 120.7° | 119.7° |
| C4 | C3 | O3 | C2 | 179.4° | 180.0° |
| C4 | C3 | C2 | C1 | 55.1° | 51.6° |
| C3 | C4 | C5 | C6 | 174.3° | 173.4° |
| C3 | C4 | C5 | C10 | 51.1° | 54.4° |
| C4 | C3 | C2 | H1 | 64.9° | 68.2° |
| C4 | C3 | C2 | H2 | 175.1° | 171.4° |
| C3 | C4 | H3 | H4 | 118.0° | 120.4° |
| C3 | C4 | C5 | H5 | 65.5° | 65.9° |
| C5 | C4 | C3 | O3 | 125.2° | 128.4° |
| C5 | C4 | C3 | C2 | 55.4° | 51.6° |
| C4 | C5 | C10 | C9 | 70.3° | 57.9° |
| C4 | C5 | C6 | C10 | 122.1° | 119.2° |
| C4 | C5 | C6 | H5 | 120.0° | 120.4° |
| C4 | C5 | C10 | H5 | 116.4° | 120.3° |
| C4 | C5 | C10 | C1 | 49.3° | 63.0° |
| C4 | C5 | C10 | C19 | 165.5° | 177.5° |
| C5 | C4 | H3 | H4 | 118.0° | 120.4° |
| C4 | C5 | C6 | H6 | 58.4° | 178.7° |
| C4 | C5 | C6 | H7 | 178.0° | 61.3° |
| O3 | C3 | C2 | C1 | 125.5° | 128.4° |
| O3 | C3 | C2 | H1 | 114.5° | 111.8° |
| O3 | C3 | C2 | H2 | 5.4° | 8.6° |
| O3 | C3 | C4 | H3 | 4.5° | 8.6° |
| O3 | C3 | C4 | H4 | 114.2° | 111.8° |
| C3 | C2 | C1 | H1 | 120.0° | 119.7° |
| C3 | C2 | C1 | H2 | 120.0° | 119.8° |
| C3 | C2 | C1 | C10 | 56.8° | 54.6° |
| C3 | C2 | H1 | H2 | 119.9° | 120.5° |
| C2 | C3 | C4 | H3 | 176.1° | 171.4° |
| C2 | C3 | C4 | H4 | 65.2° | 68.2° |
| C3 | C2 | C1 | H8 | 177.7° | 174.6° |
| C3 | C2 | C1 | H9 | 64.1° | 65.4° |
| C11 | C9 | C10 | H13 | 115.2° | 119.0° |
| C11 | C9 | C10 | C5 | 176.0° | 176.5° |
| C11 | C9 | C10 | C1 | 54.3° | 55.5° |
| C11 | C9 | C10 | C19 | 59.5° | 63.9° |
| C11 | C9 | C8 | H12 | 66.3° | 61.8° |
| C9 | C11 | H14 | H15 | 117.3° | 119.1° |
| C9 | C11 | C12 | H16 | 175.1° | 62.1° |
| C9 | C11 | C12 | H17 | 65.8° | 176.9° |
| C9 | C10 | C1 | C2 | 64.0° | 57.3° |
| C9 | C10 | C5 | C6 | 55.4° | 61.0° |
| C9 | C10 | C5 | C1 | 119.6° | 120.9° |
| C9 | C10 | C5 | C19 | 124.3° | 119.6° |
| C9 | C10 | C1 | C19 | 119.3° | 119.7° |
| C9 | C10 | C5 | H5 | 173.3° | 178.2° |
| C9 | C10 | C1 | H8 | 56.9° | 62.8° |
| C9 | C10 | C1 | H9 | 175.1° | 177.3° |
| C10 | C9 | C8 | H12 | 67.8° | 60.1° |
| C10 | C9 | C11 | H14 | 67.7° | 63.3° |
| C10 | C9 | C11 | H15 | 50.5° | 55.7° |
| C9 | C10 | C19 | H27 | 180.0° | 59.7° |
| C9 | C10 | C19 | H28 | 60.0° | 60.3° |
| C9 | C10 | C19 | H29 | 60.0° | 179.7° |
| C2 | C1 | C10 | C5 | 55.3° | 63.3° |
| C2 | C1 | C10 | H8 | 120.9° | 120.0° |
| C2 | C1 | C10 | H9 | 120.9° | 120.0° |
| C2 | C1 | C10 | C19 | 176.6° | 176.9° |
| C1 | C2 | H1 | H2 | 120.0° | 120.5° |
| C2 | C1 | H8 | H9 | 117.2° | 120.0° |
| C6 | C5 | C10 | H5 | 117.9° | 120.8° |
| C6 | C5 | C10 | C1 | 175.0° | 178.1° |
| C6 | C5 | C10 | C19 | 68.9° | 58.6° |
| C6 | C5 | C4 | H3 | 65.1° | 66.9° |
| C6 | C5 | C4 | H4 | 53.6° | 53.6° |
| C5 | C6 | H6 | H7 | 119.3° | 120.0° |
| C5 | C6 | C7 | H10 | 60.9° | 179.7° |
| C5 | C6 | C7 | H11 | 179.9° | 59.8° |
| C5 | C10 | C1 | C19 | 121.4° | 119.8° |
| C10 | C5 | C4 | H3 | 171.7° | 174.1° |
| C10 | C5 | C4 | H4 | 69.6° | 65.4° |
| C10 | C5 | C6 | H6 | 179.5° | 59.5° |
| C10 | C5 | C6 | H7 | 59.9° | 179.5° |
| C5 | C10 | C1 | H8 | 176.2° | 176.7° |
| C5 | C10 | C1 | H9 | 65.6° | 56.7° |
| C5 | C10 | C9 | H13 | 60.9° | 57.5° |
| C5 | C10 | C19 | H27 | 57.9° | 60.0° |
| C5 | C10 | C19 | H28 | 62.0° | 180.0° |
| C5 | C10 | C19 | H29 | 178.0° | 60.0° |
| C10 | C1 | C2 | H1 | 63.3° | 65.1° |
| C10 | C1 | C2 | H2 | 176.8° | 174.4° |
| C1 | C10 | C5 | H5 | 67.1° | 57.3° |
| C10 | C1 | H8 | H9 | 117.2° | 119.9° |
| C1 | C10 | C9 | H13 | 60.9° | 63.5° |
| C1 | C10 | C19 | H27 | 63.1° | 179.7° |
| C1 | C10 | C19 | H28 | 176.9° | 59.7° |
| C1 | C10 | C19 | H29 | 56.9° | 60.3° |
| C19 | C10 | C5 | H5 | 49.0° | 62.2° |
| C19 | C10 | C1 | H8 | 62.5° | 56.9° |
| C19 | C10 | C1 | H9 | 55.7° | 63.0° |
| C19 | C10 | C9 | H13 | 174.7° | 177.1° |
| C10 | C19 | H27 | H28 | 120.0° | 120.0° |
| C10 | C19 | H27 | H29 | 120.0° | 120.0° |
| C10 | C19 | H28 | H29 | 120.0° | 120.0° |
| H1 | C2 | C1 | H8 | 57.6° | 54.9° |
| H1 | C2 | C1 | H9 | 175.8° | 174.9° |
| H2 | C2 | C1 | H8 | 62.3° | 65.6° |
| H2 | C2 | C1 | H9 | 55.9° | 54.4° |
| H3 | C4 | C5 | H5 | 55.1° | 53.9° |
| H4 | C4 | C5 | H5 | 173.8° | 174.4° |
| H5 | C5 | C6 | H6 | 61.6° | 60.9° |
| H5 | C5 | C6 | H7 | 57.9° | 59.1° |
| H6 | C6 | C7 | H10 | 59.4° | 60.3° |
| H6 | C6 | C7 | H11 | 59.9° | 179.7° |
| H7 | C6 | C7 | H10 | 178.9° | 59.7° |
| H7 | C6 | C7 | H11 | 59.6° | 60.2° |
| H10 | C7 | C8 | H12 | 173.5° | 59.8° |
| H11 | C7 | C8 | H12 | 54.2° | 179.7° |
| H12 | C8 | C9 | H13 | 178.4° | 178.0° |
| H12 | C8 | C14 | H18 | 176.5° | 175.0° |
| H13 | C9 | C11 | H14 | 177.6° | 55.3° |
| H13 | C9 | C11 | H15 | 64.2° | 174.3° |
| H14 | C11 | C12 | H16 | 54.3° | 58.4° |
| H14 | C11 | C12 | H17 | 173.3° | 62.6° |
| H15 | C11 | C12 | H16 | 64.0° | 177.5° |
| H15 | C11 | C12 | H17 | 55.0° | 56.4° |
| H18 | C14 | C15 | H19 | 58.5° | 165.8° |
| H18 | C14 | C15 | H20 | 177.3° | 42.6° |
| H19 | C15 | C16 | H21 | 28.9° | 24.9° |
| H19 | C15 | C16 | H22 | 91.0° | 146.4° |
| H20 | C15 | C16 | H21 | 153.1° | 98.4° |
| H20 | C15 | C16 | H22 | 33.3° | 23.1° |
| H21 | C16 | C17 | H23 | 6.6° | 125.1° |
| H22 | C16 | C17 | H23 | 126.4° | 3.6° |
| H23 | C17 | C20 | H30 | 178.4° | 179.4° |
| H24 | C18 | H25 | H26 | 120.0° | 120.1° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
| H30 | C20 | C21 | H31 | 57.9° | 60.0° |
| H30 | C20 | C21 | H32 | 62.0° | 60.1° |
| H30 | C20 | C21 | H33 | 178.0° | NaN° |
| H30 | C20 | C22 | H34 | 178.4° | 65.0° |
| H30 | C20 | C22 | H35 | 61.4° | 175.0° |
| H31 | C21 | H32 | H33 | 120.0° | 120.0° |
| H34 | C22 | C23 | H36 | 178.3° | 179.9° |
| H34 | C22 | C23 | H37 | 59.4° | 60.0° |
| H35 | C22 | C23 | H36 | 64.6° | 59.9° |
| H35 | C22 | C23 | H37 | 176.5° | NaN° |
