A1CBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | O | doub | 1.21Å | 1.22Å | |
| O1 | C4 | sing | 1.34Å | 1.38Å | |
| C5 | O1 | sing | 1.45Å | 1.42Å | |
| C6 | C1 | sing | 1.53Å | 1.57Å | |
| C6 | C7 | sing | 1.55Å | 1.55Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.55Å | 1.55Å | |
| C10 | C6 | sing | 1.52Å | 1.56Å | |
| C11 | C10 | sing | 1.52Å | 1.53Å | |
| C12 | C11 | sing | 1.54Å | 1.55Å | |
| C13 | C12 | sing | 1.52Å | 1.55Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C9 | C14 | sing | 1.52Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C13 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| O2 | C21 | sing | 1.43Å | 1.40Å | |
| C23 | C18 | sing | 1.53Å | 1.53Å | |
| O3 | C15 | sing | 1.43Å | 1.40Å | |
| O4 | C11 | sing | 1.43Å | 1.40Å | |
| C24 | C10 | sing | 1.53Å | 1.53Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| O3 | H37 | sing | 0.97Å | 0.95Å | |
| O4 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 108.4° | 109.5° |
| C | C1 | C6 | 116.3° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C | C1 | H | 107.9° | 109.5° |
| C1 | C2 | C3 | 113.3° | 109.5° |
| C2 | C1 | C6 | 108.6° | 109.5° |
| C2 | C1 | H | 107.9° | 109.5° |
| C1 | C2 | H13 | 108.5° | 109.5° |
| C1 | C2 | H12 | 108.5° | 109.5° |
| C2 | C3 | C4 | 109.7° | 109.5° |
| C3 | C2 | H13 | 108.5° | 109.4° |
| C3 | C2 | H12 | 108.5° | 109.5° |
| C2 | C3 | H14 | 109.4° | 109.5° |
| C2 | C3 | H15 | 109.4° | 109.5° |
| C3 | C4 | O | 124.5° | 120.0° |
| C3 | C4 | O1 | 118.4° | 120.0° |
| C4 | C3 | H14 | 109.4° | 109.4° |
| C4 | C3 | H15 | 109.4° | 109.5° |
| O | C4 | O1 | 117.0° | 120.0° |
| C4 | O1 | C5 | 124.7° | 117.0° |
| O1 | C5 | H16 | 109.5° | 109.4° |
| O1 | C5 | H18 | 109.5° | 109.4° |
| O1 | C5 | H17 | 109.5° | 109.4° |
| C1 | C6 | C7 | 112.5° | 110.3° |
| C1 | C6 | C10 | 121.6° | 110.3° |
| C1 | C6 | H1 | 106.3° | 110.2° |
| C6 | C1 | H | 107.6° | 109.4° |
| C6 | C7 | C8 | 106.7° | 106.4° |
| C7 | C6 | C10 | 102.6° | 105.3° |
| C7 | C6 | H1 | 106.5° | 110.2° |
| C6 | C7 | H19 | 110.2° | 110.1° |
| C6 | C7 | H20 | 110.1° | 110.0° |
| C7 | C8 | C9 | 104.1° | 102.9° |
| C8 | C7 | H19 | 110.1° | 110.1° |
| C8 | C7 | H20 | 110.2° | 110.0° |
| C7 | C8 | H22 | 110.8° | 110.7° |
| C7 | C8 | H21 | 110.8° | 110.7° |
| C8 | C9 | C10 | 104.4° | 101.7° |
| C8 | C9 | C14 | 116.3° | 115.8° |
| C9 | C8 | H22 | 110.8° | 110.7° |
| C9 | C8 | H21 | 110.8° | 110.7° |
| C8 | C9 | H2 | 107.5° | 110.4° |
| C9 | C10 | C6 | 98.3° | 103.3° |
| C9 | C10 | C11 | 106.6° | 107.4° |
| C10 | C9 | C14 | 113.4° | 107.0° |
| C9 | C10 | C24 | 113.2° | 109.7° |
| C10 | C9 | H2 | 107.2° | 110.5° |
| C6 | C10 | C11 | 117.4° | 116.6° |
| C6 | C10 | C24 | 112.6° | 109.7° |
| C10 | C6 | H1 | 106.4° | 110.3° |
| C10 | C11 | C12 | 111.2° | 107.3° |
| C10 | C11 | O4 | 106.9° | 109.9° |
| C11 | C10 | C24 | 108.4° | 109.8° |
| C10 | C11 | H3 | 108.7° | 109.9° |
| C11 | C12 | C13 | 113.7° | 111.4° |
| C12 | C11 | O4 | 110.8° | 110.0° |
| C12 | C11 | H3 | 108.6° | 109.9° |
| C11 | C12 | H24 | 108.4° | 109.1° |
| C11 | C12 | H23 | 108.4° | 109.1° |
| C12 | C13 | C14 | 109.2° | 111.6° |
| C12 | C13 | C18 | 112.4° | 110.0° |
| C12 | C13 | H4 | 107.4° | 108.8° |
| C13 | C12 | H24 | 108.4° | 109.1° |
| C13 | C12 | H23 | 108.4° | 109.1° |
| C13 | C14 | C9 | 106.0° | 107.3° |
| C13 | C14 | C15 | 112.7° | 109.1° |
| C14 | C13 | C18 | 112.7° | 109.2° |
| C14 | C13 | H4 | 107.5° | 108.8° |
| C13 | C14 | H5 | 109.5° | 109.7° |
| C9 | C14 | C15 | 109.7° | 110.4° |
| C9 | C14 | H5 | 109.5° | 110.5° |
| C14 | C9 | H2 | 107.5° | 110.9° |
| C14 | C15 | C16 | 111.1° | 109.5° |
| C14 | C15 | O3 | 107.2° | 109.5° |
| C14 | C15 | H6 | 108.6° | 109.4° |
| C15 | C14 | H5 | 109.4° | 109.7° |
| C15 | C16 | C17 | 115.5° | 109.5° |
| C16 | C15 | O3 | 111.0° | 109.5° |
| C16 | C15 | H6 | 108.5° | 109.5° |
| C15 | C16 | H26 | 108.0° | 109.5° |
| C15 | C16 | H25 | 108.0° | 109.5° |
| C16 | C17 | C18 | 113.0° | 109.5° |
| C16 | C17 | C22 | 110.6° | 109.4° |
| C16 | C17 | H7 | 107.3° | 109.5° |
| C17 | C16 | H26 | 107.9° | 109.5° |
| C17 | C16 | H25 | 108.0° | 109.5° |
| C17 | C18 | C13 | 110.8° | 109.4° |
| C17 | C18 | C19 | 110.1° | 109.5° |
| C18 | C17 | C22 | 111.3° | 109.4° |
| C17 | C18 | C23 | 107.1° | 109.5° |
| C18 | C17 | H7 | 107.1° | 109.5° |
| C13 | C18 | C19 | 108.2° | 109.5° |
| C13 | C18 | C23 | 112.4° | 109.5° |
| C18 | C13 | H4 | 107.3° | 108.3° |
| C18 | C19 | C20 | 113.6° | 109.4° |
| C19 | C18 | C23 | 108.3° | 109.6° |
| C18 | C19 | H28 | 108.5° | 109.5° |
| C18 | C19 | H27 | 108.4° | 109.4° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C19 | C20 | H30 | 109.3° | 109.4° |
| C19 | C20 | H29 | 109.3° | 109.4° |
| C20 | C19 | H28 | 108.4° | 109.5° |
| C20 | C19 | H27 | 108.4° | 109.5° |
| C20 | C21 | C22 | 112.9° | 109.5° |
| C20 | C21 | O2 | 104.8° | 109.5° |
| C21 | C20 | H30 | 109.3° | 109.5° |
| C21 | C20 | H29 | 109.3° | 109.5° |
| C20 | C21 | H8 | 109.0° | 109.5° |
| C21 | C22 | C17 | 110.6° | 109.5° |
| C22 | C21 | O2 | 110.2° | 109.5° |
| C22 | C21 | H8 | 108.9° | 109.4° |
| C21 | C22 | H31 | 109.2° | 109.4° |
| C21 | C22 | H32 | 109.2° | 109.5° |
| C22 | C17 | H7 | 107.2° | 109.5° |
| C17 | C22 | H31 | 109.2° | 109.5° |
| C17 | C22 | H32 | 109.2° | 109.5° |
| O2 | C21 | H8 | 111.0° | 109.5° |
| C21 | O2 | H33 | 109.5° | 114.0° |
| C18 | C23 | H35 | 109.5° | 109.5° |
| C18 | C23 | H34 | 109.5° | 109.4° |
| C18 | C23 | H36 | 109.5° | 109.5° |
| O3 | C15 | H6 | 110.5° | 109.5° |
| C15 | O3 | H37 | 109.5° | 114.0° |
| O4 | C11 | H3 | 110.6° | 109.9° |
| C11 | O4 | H38 | 109.5° | 114.0° |
| C10 | C24 | H39 | 109.5° | 109.5° |
| C10 | C24 | H41 | 109.4° | 109.5° |
| C10 | C24 | H40 | 109.5° | 109.5° |
| H16 | C5 | H18 | 109.4° | 109.5° |
| H16 | C5 | H17 | 109.5° | 109.6° |
| H18 | C5 | H17 | 109.5° | 109.5° |
| H19 | C7 | H20 | 109.5° | 110.1° |
| H22 | C8 | H21 | 109.5° | 110.8° |
| H30 | C20 | H29 | 109.5° | 109.4° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H39 | C24 | H41 | 109.5° | 109.5° |
| H39 | C24 | H40 | 109.4° | 109.5° |
| H41 | C24 | H40 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H11 | C | H10 | 109.5° | 109.5° |
| H24 | C12 | H23 | 109.5° | 109.0° |
| H26 | C16 | H25 | 109.5° | 109.5° |
| H28 | C19 | H27 | 109.5° | 109.5° |
| H13 | C2 | H12 | 109.5° | 109.5° |
| H35 | C23 | H34 | 109.5° | 109.4° |
| H35 | C23 | H36 | 109.5° | 109.6° |
| H34 | C23 | H36 | 109.5° | 109.4° |
| H14 | C3 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 127.2° | 120.0° |
| C | C1 | C2 | H | 116.6° | 120.0° |
| C | C1 | C2 | C3 | 72.3° | 65.0° |
| C | C1 | C6 | H | 121.0° | 120.0° |
| C | C1 | C6 | C7 | 50.2° | 178.6° |
| C | C1 | C6 | C10 | 71.9° | 62.6° |
| C | C1 | C6 | H1 | 166.4° | 59.5° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H11 | H10 | 120.0° | 120.0° |
| C | C1 | C2 | H13 | 167.1° | 175.0° |
| C | C1 | C2 | H12 | 48.3° | 55.0° |
| C1 | C2 | C3 | H13 | 120.6° | 120.0° |
| C1 | C2 | C3 | H12 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 69.8° | 180.0° |
| C2 | C1 | C6 | H | 116.5° | 120.0° |
| C2 | C1 | C6 | C7 | 172.7° | 61.4° |
| C2 | C1 | C6 | C10 | 50.6° | 177.4° |
| C2 | C1 | C6 | H1 | 71.1° | 60.5° |
| C2 | C1 | C | H9 | 180.0° | 60.0° |
| C2 | C1 | C | H11 | 60.0° | 180.0° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C1 | C2 | H13 | H12 | 118.3° | 120.1° |
| C1 | C2 | C3 | H14 | 170.1° | 60.0° |
| C1 | C2 | C3 | H15 | 50.2° | 60.0° |
| C2 | C3 | C4 | H14 | 120.1° | 120.0° |
| C2 | C3 | C4 | H15 | 120.0° | 120.1° |
| C2 | C3 | C4 | O | 72.9° | 0.0° |
| C2 | C3 | C4 | O1 | 106.5° | 179.7° |
| C3 | C2 | C1 | C6 | 160.5° | 175.0° |
| C3 | C2 | C1 | H | 44.3° | 55.0° |
| C3 | C2 | H13 | H12 | 118.2° | 120.0° |
| C2 | C3 | H14 | H15 | 119.9° | 120.1° |
| C3 | C4 | O | O1 | 179.4° | 179.8° |
| C3 | C4 | O1 | C5 | 0.7° | 179.7° |
| C4 | C3 | C2 | H13 | 50.7° | 60.0° |
| C4 | C3 | C2 | H12 | 169.6° | 60.0° |
| C4 | C3 | H14 | H15 | 119.9° | 120.0° |
| O | C4 | O1 | C5 | 179.8° | 0.0° |
| O | C4 | C3 | H14 | 47.2° | 120.0° |
| O | C4 | C3 | H15 | 167.1° | 120.0° |
| C4 | O1 | C5 | H16 | 180.0° | 60.0° |
| C4 | O1 | C5 | H18 | 60.0° | 180.0° |
| C4 | O1 | C5 | H17 | 60.0° | 60.0° |
| O1 | C4 | C3 | H14 | 133.4° | 59.8° |
| O1 | C4 | C3 | H15 | 13.5° | 60.2° |
| O1 | C5 | H16 | H18 | 120.0° | 119.9° |
| O1 | C5 | H16 | H17 | 120.0° | 120.0° |
| O1 | C5 | H18 | H17 | 120.0° | 120.0° |
| C1 | C6 | C7 | C10 | 132.3° | 119.0° |
| C1 | C6 | C7 | H1 | 116.1° | 122.0° |
| C1 | C6 | C7 | C8 | 157.6° | 122.4° |
| C1 | C6 | C10 | C9 | 170.4° | 148.2° |
| C1 | C6 | C10 | H1 | 121.7° | 122.0° |
| C1 | C6 | C10 | C11 | 75.9° | 94.3° |
| C1 | C6 | C10 | C24 | 51.0° | 31.3° |
| C1 | C6 | C7 | H19 | 82.8° | 118.3° |
| C1 | C6 | C7 | H20 | 38.1° | 3.2° |
| C6 | C1 | C | H9 | 57.4° | 60.0° |
| C6 | C1 | C | H11 | 177.4° | 60.0° |
| C6 | C1 | C | H10 | 62.6° | 180.0° |
| C6 | C1 | C2 | H13 | 39.9° | 55.0° |
| C6 | C1 | C2 | H12 | 78.9° | 65.0° |
| C6 | C7 | C8 | H19 | 119.6° | 119.3° |
| C6 | C7 | C8 | H20 | 119.6° | 119.2° |
| C6 | C7 | C8 | C9 | 4.2° | 24.0° |
| C7 | C6 | C10 | C9 | 43.8° | 29.2° |
| C7 | C6 | C10 | H1 | 111.7° | 118.9° |
| C7 | C6 | C10 | C11 | 157.4° | 146.7° |
| C7 | C6 | C10 | C24 | 75.7° | 87.8° |
| C6 | C7 | H19 | H20 | 121.3° | 121.5° |
| C6 | C7 | C8 | H22 | 123.4° | 142.3° |
| C6 | C7 | C8 | H21 | 114.9° | 94.3° |
| C7 | C6 | C1 | H | 70.8° | 58.6° |
| C7 | C8 | C9 | H22 | 119.1° | 118.3° |
| C7 | C8 | C9 | H21 | 119.1° | 118.4° |
| C7 | C8 | C9 | C10 | 32.9° | 41.6° |
| C8 | C7 | C6 | C10 | 25.3° | 3.4° |
| C7 | C8 | C9 | C14 | 158.7° | 157.2° |
| C8 | C7 | C6 | H1 | 86.3° | 115.6° |
| C8 | C7 | H19 | H20 | 121.3° | 121.5° |
| C7 | C8 | H22 | H21 | 122.5° | 123.3° |
| C7 | C8 | C9 | H2 | 80.8° | 75.6° |
| C8 | C9 | C10 | C14 | 127.6° | 121.9° |
| C8 | C9 | C10 | H2 | 113.9° | 117.2° |
| C8 | C9 | C10 | C6 | 47.9° | 44.4° |
| C8 | C9 | C10 | C11 | 169.8° | 168.2° |
| C8 | C9 | C14 | C13 | 172.7° | 176.9° |
| C8 | C9 | C14 | H2 | 120.6° | 126.9° |
| C8 | C9 | C14 | C15 | 50.8° | 64.3° |
| C8 | C9 | C10 | C24 | 71.1° | 72.6° |
| C9 | C8 | C7 | H19 | 115.3° | 95.3° |
| C9 | C8 | C7 | H20 | 123.8° | 143.2° |
| C9 | C8 | H22 | H21 | 122.5° | 123.3° |
| C8 | C9 | C14 | H5 | 69.3° | 57.3° |
| C9 | C10 | C6 | C11 | 113.7° | 117.5° |
| C9 | C10 | C6 | C24 | 119.4° | 116.9° |
| C9 | C10 | C11 | C24 | 122.1° | 119.2° |
| C9 | C10 | C11 | C12 | 53.0° | 64.4° |
| C10 | C9 | C14 | C13 | 66.2° | 64.4° |
| C10 | C9 | C14 | H2 | 118.3° | 120.6° |
| C10 | C9 | C14 | C15 | 171.9° | 176.8° |
| C9 | C10 | C11 | O4 | 68.1° | 55.1° |
| C9 | C10 | C6 | H1 | 67.9° | 89.8° |
| C10 | C9 | C8 | H22 | 152.0° | 159.9° |
| C10 | C9 | C8 | H21 | 86.2° | 76.8° |
| C9 | C10 | C24 | H39 | 180.0° | 174.3° |
| C9 | C10 | C24 | H41 | 60.0° | 65.7° |
| C9 | C10 | C24 | H40 | 60.0° | 54.3° |
| C9 | C10 | C11 | H3 | 172.5° | 176.1° |
| C10 | C9 | C14 | H5 | 51.8° | 55.2° |
| C6 | C10 | C11 | C24 | 128.9° | 125.5° |
| C6 | C10 | C11 | C12 | 161.9° | 179.7° |
| C6 | C10 | C9 | C14 | 175.4° | 166.3° |
| C6 | C10 | C11 | O4 | 40.8° | 60.1° |
| C10 | C6 | C7 | H19 | 144.8° | 122.7° |
| C10 | C6 | C7 | H20 | 94.3° | 115.8° |
| C6 | C10 | C24 | H39 | 69.6° | 61.5° |
| C6 | C10 | C24 | H41 | 170.3° | 178.5° |
| C6 | C10 | C24 | H40 | 50.4° | 58.5° |
| C10 | C6 | C1 | H | 167.1° | 57.4° |
| C6 | C10 | C11 | H3 | 78.6° | 60.9° |
| C6 | C10 | C9 | H2 | 66.1° | 72.9° |
| C10 | C11 | C12 | O4 | 118.7° | 119.5° |
| C10 | C11 | C12 | H3 | 119.6° | 119.4° |
| C10 | C11 | C12 | C13 | 53.2° | 57.4° |
| C11 | C10 | C9 | C14 | 62.6° | 69.9° |
| C10 | C11 | O4 | H3 | 118.2° | 121.0° |
| C11 | C10 | C6 | H1 | 45.8° | 27.7° |
| C11 | C10 | C24 | H39 | 62.0° | 67.9° |
| C11 | C10 | C24 | H41 | 58.1° | 52.1° |
| C11 | C10 | C24 | H40 | 178.0° | 172.1° |
| C10 | C11 | C12 | H24 | 67.4° | 178.0° |
| C10 | C11 | C12 | H23 | 173.9° | 63.1° |
| C11 | C10 | C9 | H2 | 55.9° | 50.9° |
| C10 | C11 | O4 | H38 | 180.0° | 180.0° |
| C11 | C12 | C13 | H24 | 120.6° | 120.5° |
| C11 | C12 | C13 | H23 | 120.6° | 120.5° |
| C11 | C12 | C13 | C14 | 56.1° | 54.8° |
| C11 | C12 | C13 | C18 | 178.1° | 176.1° |
| C12 | C11 | O4 | H3 | 120.4° | 121.1° |
| C12 | C11 | C10 | C24 | 69.1° | 54.8° |
| C11 | C12 | C13 | H4 | 60.3° | 65.4° |
| C11 | C12 | H24 | H23 | 118.1° | 119.0° |
| C12 | C11 | O4 | H38 | 58.7° | 62.1° |
| C12 | C13 | C14 | C18 | 125.7° | 121.9° |
| C12 | C13 | C14 | H4 | 116.2° | 120.1° |
| C12 | C13 | C14 | C9 | 59.4° | 57.8° |
| C12 | C13 | C14 | C15 | 179.3° | 177.4° |
| C12 | C13 | C18 | C17 | 177.5° | 176.6° |
| C12 | C13 | C18 | H4 | 117.8° | 118.8° |
| C12 | C13 | C18 | C19 | 61.7° | 56.7° |
| C12 | C13 | C18 | C23 | 57.8° | 63.4° |
| C13 | C12 | C11 | O4 | 65.5° | 62.1° |
| C13 | C12 | C11 | H3 | 172.9° | 176.9° |
| C13 | C12 | H24 | H23 | 118.1° | 119.1° |
| C12 | C13 | C14 | H5 | 58.7° | 62.3° |
| C13 | C14 | C9 | C15 | 121.9° | 118.8° |
| C13 | C14 | C9 | H5 | 118.0° | 119.6° |
| C13 | C14 | C15 | H5 | 122.0° | 120.3° |
| C13 | C14 | C15 | C16 | 50.9° | 60.4° |
| C14 | C13 | C18 | C17 | 53.6° | 60.5° |
| C14 | C13 | C18 | H4 | 118.3° | 118.3° |
| C14 | C13 | C18 | C19 | 174.4° | 179.5° |
| C14 | C13 | C18 | C23 | 66.1° | 59.4° |
| C13 | C14 | C15 | O3 | 70.5° | 59.6° |
| C13 | C14 | C15 | H6 | 170.1° | 179.6° |
| C14 | C13 | C12 | H24 | 64.6° | 175.2° |
| C14 | C13 | C12 | H23 | 176.7° | 65.7° |
| C13 | C14 | C9 | H2 | 52.2° | 56.1° |
| C9 | C14 | C15 | H5 | 120.2° | 122.1° |
| C9 | C14 | C15 | C16 | 168.7° | 178.1° |
| C9 | C14 | C13 | C18 | 175.0° | 179.7° |
| C9 | C14 | C15 | O3 | 47.3° | 58.0° |
| C14 | C9 | C10 | C24 | 56.4° | 49.3° |
| C14 | C9 | C8 | H22 | 82.2° | 84.5° |
| C14 | C9 | C8 | H21 | 39.6° | 38.8° |
| C9 | C14 | C13 | H4 | 56.8° | 62.3° |
| C9 | C14 | C15 | H6 | 72.1° | 61.9° |
| C14 | C15 | C16 | O3 | 119.2° | 120.0° |
| C14 | C15 | C16 | H6 | 119.3° | 119.9° |
| C14 | C15 | C16 | C17 | 48.7° | 60.1° |
| C15 | C14 | C13 | C18 | 55.0° | 60.7° |
| C14 | C15 | O3 | H6 | 118.1° | 119.9° |
| C15 | C14 | C13 | H4 | 63.1° | 57.3° |
| C14 | C15 | C16 | H26 | 169.5° | 179.9° |
| C14 | C15 | C16 | H25 | 72.2° | 60.0° |
| C15 | C14 | C9 | H2 | 69.7° | 62.6° |
| C14 | C15 | O3 | H37 | 180.0° | 180.0° |
| C15 | C16 | C17 | H26 | 120.9° | 120.0° |
| C15 | C16 | C17 | H25 | 120.9° | 120.0° |
| C15 | C16 | C17 | C18 | 49.2° | 59.8° |
| C15 | C16 | C17 | C22 | 76.3° | 60.1° |
| C16 | C15 | O3 | H6 | 120.5° | 120.1° |
| C15 | C16 | C17 | H7 | 167.0° | 179.9° |
| C16 | C15 | C14 | H5 | 71.1° | 59.8° |
| C15 | C16 | H26 | H25 | 117.3° | 120.0° |
| C16 | C15 | O3 | H37 | 58.5° | 59.9° |
| C16 | C17 | C18 | C22 | 125.2° | 119.9° |
| C16 | C17 | C18 | H7 | 117.9° | 120.1° |
| C16 | C17 | C18 | C13 | 50.1° | 60.1° |
| C16 | C17 | C18 | C19 | 169.7° | 179.9° |
| C16 | C17 | C22 | C21 | 170.3° | 180.0° |
| C16 | C17 | C22 | H7 | 116.6° | 120.0° |
| C16 | C17 | C18 | C23 | 72.8° | 59.8° |
| C17 | C16 | C15 | O3 | 70.5° | 60.0° |
| C17 | C16 | C15 | H6 | 167.9° | 180.0° |
| C16 | C17 | C22 | H31 | 50.1° | 60.0° |
| C16 | C17 | C22 | H32 | 69.5° | 60.0° |
| C17 | C16 | H26 | H25 | 117.3° | 120.0° |
| C17 | C18 | C13 | C19 | 120.8° | 120.0° |
| C17 | C18 | C13 | C23 | 119.7° | 119.9° |
| C17 | C18 | C19 | C23 | 116.8° | 120.0° |
| C17 | C18 | C19 | C20 | 16.4° | 60.1° |
| C18 | C17 | C22 | C21 | 63.2° | 60.0° |
| C18 | C17 | C22 | H7 | 116.8° | 120.0° |
| C17 | C18 | C13 | H4 | 64.7° | 57.8° |
| C18 | C17 | C22 | H31 | 176.7° | 59.9° |
| C18 | C17 | C22 | H32 | 57.0° | 179.9° |
| C18 | C17 | C16 | H26 | 170.1° | 179.8° |
| C18 | C17 | C16 | H25 | 71.7° | 60.2° |
| C17 | C18 | C19 | H28 | 137.0° | 179.8° |
| C17 | C18 | C19 | H27 | 104.2° | 59.8° |
| C17 | C18 | C23 | H35 | 180.0° | 60.1° |
| C17 | C18 | C23 | H34 | 60.0° | 180.0° |
| C17 | C18 | C23 | H36 | 60.0° | 60.0° |
| C13 | C18 | C19 | C23 | 122.0° | 120.1° |
| C13 | C18 | C19 | C20 | 137.6° | 59.8° |
| C13 | C18 | C17 | C22 | 75.1° | 59.8° |
| C13 | C18 | C17 | H7 | 168.0° | 179.8° |
| C18 | C13 | C12 | H24 | 61.3° | 63.4° |
| C18 | C13 | C12 | H23 | 57.4° | 55.6° |
| C18 | C13 | C14 | H5 | 67.0° | 59.6° |
| C13 | C18 | C19 | H28 | 101.8° | 60.3° |
| C13 | C18 | C19 | H27 | 17.0° | 179.7° |
| C13 | C18 | C23 | H35 | 58.2° | 59.8° |
| C13 | C18 | C23 | H34 | 178.1° | 60.1° |
| C13 | C18 | C23 | H36 | 61.9° | 179.9° |
| C18 | C19 | C20 | H28 | 120.6° | 120.0° |
| C18 | C19 | C20 | H27 | 120.6° | 119.9° |
| C18 | C19 | C20 | C21 | 60.9° | 60.0° |
| C19 | C18 | C17 | C22 | 44.5° | 60.1° |
| C19 | C18 | C13 | H4 | 56.1° | 62.1° |
| C19 | C18 | C17 | H7 | 72.4° | 59.9° |
| C18 | C19 | C20 | H30 | 59.2° | 60.0° |
| C18 | C19 | C20 | H29 | 179.0° | 179.9° |
| C18 | C19 | H28 | H27 | 118.1° | 120.0° |
| C19 | C18 | C23 | H35 | 61.3° | 179.9° |
| C19 | C18 | C23 | H34 | 58.7° | 59.9° |
| C19 | C18 | C23 | H36 | 178.7° | 60.0° |
| C19 | C20 | C21 | H30 | 120.1° | 120.0° |
| C19 | C20 | C21 | H29 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 41.7° | 60.0° |
| C19 | C20 | C21 | O2 | 78.3° | 180.0° |
| C20 | C19 | C18 | C23 | 100.4° | 179.8° |
| C19 | C20 | H30 | H29 | 119.8° | 119.9° |
| C19 | C20 | C21 | H8 | 162.8° | 60.0° |
| C20 | C19 | H28 | H27 | 118.1° | 120.1° |
| C20 | C21 | C22 | O2 | 116.7° | 120.0° |
| C20 | C21 | C22 | H8 | 121.3° | 120.0° |
| C20 | C21 | C22 | C17 | 17.4° | 60.0° |
| C20 | C21 | O2 | H8 | 117.5° | 120.0° |
| C21 | C20 | H30 | H29 | 119.7° | 120.0° |
| C20 | C21 | C22 | H31 | 137.6° | 60.1° |
| C20 | C21 | C22 | H32 | 102.8° | 180.0° |
| C21 | C20 | C19 | H28 | 178.5° | 179.9° |
| C21 | C20 | C19 | H27 | 59.7° | 59.9° |
| C20 | C21 | O2 | H33 | 180.0° | 60.0° |
| C21 | C22 | C17 | H31 | 120.2° | 120.0° |
| C21 | C22 | C17 | H32 | 120.2° | 120.0° |
| C22 | C21 | O2 | H8 | 120.8° | 120.0° |
| C21 | C22 | C17 | H7 | 53.7° | 60.0° |
| C22 | C21 | C20 | H30 | 78.4° | 60.1° |
| C22 | C21 | C20 | H29 | 161.7° | 179.9° |
| C21 | C22 | H31 | H32 | 119.5° | 120.0° |
| C22 | C21 | O2 | H33 | 58.3° | 180.0° |
| C17 | C22 | C21 | O2 | 134.1° | 180.0° |
| C22 | C17 | C18 | C23 | 162.0° | 179.8° |
| C17 | C22 | C21 | H8 | 103.8° | 60.0° |
| C17 | C22 | H31 | H32 | 119.5° | 120.0° |
| C22 | C17 | C16 | H26 | 44.5° | 59.9° |
| C22 | C17 | C16 | H25 | 162.8° | 179.9° |
| O2 | C21 | C20 | H30 | 161.6° | 60.0° |
| O2 | C21 | C20 | H29 | 41.8° | 60.1° |
| O2 | C21 | C22 | H31 | 105.7° | 60.0° |
| O2 | C21 | C22 | H32 | 14.0° | 60.0° |
| C23 | C18 | C13 | H4 | 175.6° | 177.8° |
| C23 | C18 | C17 | H7 | 45.1° | 60.3° |
| C23 | C18 | C19 | H28 | 20.2° | 59.8° |
| C23 | C18 | C19 | H27 | 139.0° | 60.2° |
| C18 | C23 | H35 | H34 | 120.0° | 119.9° |
| C18 | C23 | H35 | H36 | 120.0° | 120.1° |
| C18 | C23 | H34 | H36 | 120.0° | 120.0° |
| O3 | C15 | C14 | H5 | 167.4° | 179.9° |
| O3 | C15 | C16 | H26 | 50.4° | 60.1° |
| O3 | C15 | C16 | H25 | 168.6° | 180.0° |
| O4 | C11 | C10 | C24 | 169.8° | 174.3° |
| O4 | C11 | C12 | H24 | 173.9° | 58.4° |
| O4 | C11 | C12 | H23 | 55.1° | 177.4° |
| C24 | C10 | C6 | H1 | 172.7° | 153.3° |
| C10 | C24 | H39 | H41 | 120.0° | 120.0° |
| C10 | C24 | H39 | H40 | 120.0° | 120.0° |
| C10 | C24 | H41 | H40 | 120.0° | 120.0° |
| C24 | C10 | C11 | H3 | 50.4° | 64.7° |
| C24 | C10 | C9 | H2 | 174.9° | 170.2° |
| H16 | C5 | H18 | H17 | 120.0° | 120.1° |
| H1 | C6 | C7 | H19 | 33.2° | 3.7° |
| H1 | C6 | C7 | H20 | 154.1° | 125.2° |
| H1 | C6 | C1 | H | 45.3° | 179.4° |
| H19 | C7 | C8 | H22 | 3.8° | 23.0° |
| H19 | C7 | C8 | H21 | 125.6° | 146.4° |
| H20 | C7 | C8 | H22 | 117.1° | 98.5° |
| H20 | C7 | C8 | H21 | 4.7° | 24.8° |
| H22 | C8 | C9 | H2 | 38.3° | 42.7° |
| H21 | C8 | C9 | H2 | 160.1° | 166.0° |
| H4 | C13 | C12 | H24 | 179.1° | 55.1° |
| H4 | C13 | C12 | H23 | 60.4° | 174.1° |
| H4 | C13 | C14 | H5 | 174.9° | 177.6° |
| H6 | C15 | C14 | H5 | 48.1° | 60.2° |
| H6 | C15 | C16 | H26 | 71.2° | 60.0° |
| H6 | C15 | C16 | H25 | 47.0° | 60.0° |
| H6 | C15 | O3 | H37 | 61.9° | 60.1° |
| H7 | C17 | C22 | H31 | 66.5° | 179.9° |
| H7 | C17 | C22 | H32 | 173.9° | 60.0° |
| H7 | C17 | C16 | H26 | 72.1° | 60.1° |
| H7 | C17 | C16 | H25 | 46.1° | 59.9° |
| H30 | C20 | C21 | H8 | 42.8° | 180.0° |
| H30 | C20 | C19 | H28 | 61.4° | 60.0° |
| H30 | C20 | C19 | H27 | 179.8° | 179.9° |
| H29 | C20 | C21 | H8 | 77.1° | 60.0° |
| H29 | C20 | C19 | H28 | 58.4° | 59.9° |
| H29 | C20 | C19 | H27 | 60.3° | 60.1° |
| H8 | C21 | C22 | H31 | 16.3° | 180.0° |
| H8 | C21 | C22 | H32 | 136.0° | 60.0° |
| H8 | C21 | O2 | H33 | 62.5° | 60.0° |
| H39 | C24 | H41 | H40 | 120.0° | 120.0° |
| H9 | C | H11 | H10 | 120.0° | 120.0° |
| H9 | C | C1 | H | 63.4° | 180.0° |
| H11 | C | C1 | H | 56.6° | 60.0° |
| H10 | C | C1 | H | 176.5° | 60.0° |
| H | C1 | C2 | H13 | 76.3° | 65.0° |
| H | C1 | C2 | H12 | 164.8° | 175.0° |
| H3 | C11 | C12 | H24 | 52.3° | 62.6° |
| H3 | C11 | C12 | H23 | 66.5° | 56.3° |
| H3 | C11 | O4 | H38 | 61.8° | 58.9° |
| H5 | C14 | C9 | H2 | 170.2° | 175.7° |
| H13 | C2 | C3 | H14 | 69.3° | 59.9° |
| H13 | C2 | C3 | H15 | 170.8° | 180.0° |
| H12 | C2 | C3 | H14 | 49.5° | 179.9° |
| H12 | C2 | C3 | H15 | 70.3° | 60.0° |
| H35 | C23 | H34 | H36 | 120.0° | 120.1° |
