A1AGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.53Å | |
| C1 | C6 | sing | 1.48Å | 1.53Å | |
| C1 | O2 | doub | 1.21Å | 1.18Å | |
| C2 | C3 | doub | 1.34Å | 1.53Å | |
| C11 | C9 | sing | 1.51Å | 1.60Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C16 | sing | 1.53Å | 1.58Å | |
| C14 | C13 | sing | 1.53Å | 1.35Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.35Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.59Å | |
| C23 | C24 | sing | 1.53Å | 1.35Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | C26 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.48Å | 1.53Å | |
| C4 | C3 | sing | 1.48Å | 1.53Å | |
| C4 | O1 | doub | 1.21Å | 1.18Å | |
| C5 | C6 | doub | 1.34Å | 1.53Å | |
| C5 | C52 | sing | 1.51Å | 1.54Å | |
| C6 | C53 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | doub | 1.31Å | 1.34Å | |
| C8 | C7 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| C3 | C7 | sing | 1.51Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C52 | H39 | sing | 1.09Å | 1.10Å | |
| C52 | H40 | sing | 1.09Å | 1.10Å | |
| C52 | H41 | sing | 1.09Å | 1.10Å | |
| C53 | H42 | sing | 1.09Å | 1.10Å | |
| C53 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.2° | 120.0° |
| C2 | C1 | O2 | 119.9° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C1 | C2 | H1 | 119.9° | 120.0° |
| C6 | C1 | O2 | 119.9° | 120.0° |
| C1 | C6 | C5 | 119.6° | 120.0° |
| C1 | C6 | C53 | 120.2° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | C7 | 119.3° | 120.0° |
| C3 | C2 | H1 | 119.9° | 120.0° |
| C9 | C11 | C12 | 111.7° | 109.4° |
| C11 | C9 | C8 | 85.9° | 120.0° |
| C11 | C9 | C10 | 68.8° | 120.0° |
| C9 | C11 | H2 | 108.9° | 109.5° |
| C9 | C11 | H3 | 108.9° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.4° |
| C12 | C11 | H2 | 108.9° | 109.5° |
| C12 | C11 | H3 | 108.9° | 109.5° |
| C11 | C12 | H27 | 109.3° | 109.5° |
| C11 | C12 | H28 | 109.3° | 109.5° |
| C15 | C14 | C16 | 67.7° | 109.4° |
| C15 | C14 | C13 | 154.0° | 109.5° |
| C15 | C14 | H4 | 90.2° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.4° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C16 | C14 | C13 | 86.3° | 109.5° |
| C14 | C16 | C17 | 112.3° | 109.5° |
| C16 | C14 | H4 | 90.2° | 109.5° |
| C14 | C16 | H8 | 108.8° | 109.5° |
| C14 | C16 | H9 | 108.8° | 109.5° |
| C14 | C13 | C12 | 112.2° | 109.5° |
| C13 | C14 | H4 | 90.2° | 109.4° |
| C14 | C13 | H29 | 108.8° | 109.4° |
| C14 | C13 | H30 | 108.8° | 109.4° |
| C16 | C17 | C18 | 108.5° | 109.5° |
| C17 | C16 | H8 | 108.8° | 109.4° |
| C17 | C16 | H9 | 108.8° | 109.5° |
| C16 | C17 | H10 | 109.7° | 109.5° |
| C16 | C17 | H11 | 109.7° | 109.5° |
| C17 | C18 | C19 | 118.2° | 109.5° |
| C18 | C17 | H10 | 109.7° | 109.5° |
| C18 | C17 | H11 | 109.7° | 109.4° |
| C17 | C18 | H31 | 107.2° | 109.5° |
| C17 | C18 | H22 | 107.2° | 109.5° |
| C18 | C19 | C20 | 168.1° | 109.5° |
| C18 | C19 | C21 | 106.2° | 109.5° |
| C19 | C18 | H31 | 107.2° | 109.4° |
| C18 | C19 | H47 | 90.7° | 109.5° |
| C19 | C18 | H22 | 107.2° | 109.5° |
| C20 | C19 | C21 | 85.6° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C20 | C19 | H47 | 90.6° | 109.5° |
| C19 | C21 | C22 | 111.5° | 109.5° |
| C19 | C21 | H35 | 109.0° | 109.5° |
| C19 | C21 | H36 | 108.9° | 109.5° |
| C21 | C19 | H47 | 90.6° | 109.4° |
| C24 | C23 | C22 | 112.4° | 109.5° |
| C23 | C24 | C25 | 85.4° | 109.5° |
| C23 | C24 | C26 | 153.1° | 109.5° |
| C24 | C23 | H12 | 108.8° | 109.5° |
| C24 | C23 | H13 | 108.8° | 109.5° |
| C23 | C24 | H14 | 90.0° | 109.5° |
| C23 | C22 | C21 | 109.6° | 109.5° |
| C22 | C23 | H12 | 108.7° | 109.4° |
| C22 | C23 | H13 | 108.7° | 109.4° |
| C23 | C22 | H37 | 109.4° | 109.5° |
| C23 | C22 | H38 | 109.4° | 109.5° |
| C25 | C24 | C26 | 67.7° | 109.5° |
| C25 | C24 | H14 | 90.0° | 109.4° |
| C24 | C25 | H15 | 109.5° | 109.4° |
| C24 | C25 | H16 | 109.5° | 109.4° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C26 | C24 | H14 | 90.0° | 109.5° |
| C24 | C26 | H18 | 109.5° | 109.5° |
| C24 | C26 | H19 | 109.4° | 109.4° |
| C24 | C26 | H20 | 109.5° | 109.5° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C5 | C4 | O1 | 119.3° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C4 | C5 | C52 | 119.9° | 120.0° |
| C3 | C4 | O1 | 121.0° | 120.0° |
| C4 | C3 | C7 | 120.9° | 120.0° |
| C6 | C5 | C52 | 119.6° | 120.0° |
| C5 | C6 | C53 | 120.2° | 120.0° |
| C5 | C52 | H39 | 109.5° | 109.5° |
| C5 | C52 | H40 | 109.5° | 109.5° |
| C5 | C52 | H41 | 109.5° | 109.5° |
| C6 | C53 | H42 | 109.5° | 109.4° |
| C6 | C53 | H43 | 109.5° | 109.5° |
| C6 | C53 | H44 | 109.5° | 109.5° |
| C9 | C8 | C7 | 111.0° | 120.0° |
| C8 | C9 | C10 | 154.7° | 120.0° |
| C9 | C8 | H21 | 124.5° | 120.0° |
| C8 | C7 | C3 | 111.6° | 109.5° |
| C7 | C8 | H21 | 124.5° | 120.0° |
| C8 | C7 | H45 | 108.9° | 109.4° |
| C8 | C7 | H46 | 108.9° | 109.5° |
| C9 | C10 | H24 | 109.5° | 109.5° |
| C9 | C10 | H25 | 109.5° | 109.5° |
| C9 | C10 | H26 | 109.5° | 109.5° |
| C13 | C12 | H27 | 109.4° | 109.5° |
| C13 | C12 | H28 | 109.3° | 109.5° |
| C12 | C13 | H29 | 108.8° | 109.5° |
| C12 | C13 | H30 | 108.8° | 109.5° |
| C22 | C21 | H35 | 109.0° | 109.4° |
| C22 | C21 | H36 | 109.0° | 109.5° |
| C21 | C22 | H37 | 109.4° | 109.4° |
| C21 | C22 | H38 | 109.4° | 109.4° |
| C3 | C7 | H45 | 108.9° | 109.5° |
| C3 | C7 | H46 | 108.9° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H17 | 109.4° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.4° |
| H24 | C10 | H25 | 109.5° | 109.5° |
| H24 | C10 | H26 | 109.4° | 109.5° |
| H25 | C10 | H26 | 109.5° | 109.4° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H29 | C13 | H30 | 109.5° | 109.5° |
| H31 | C18 | H22 | 109.5° | 109.4° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H32 | C20 | H34 | 109.5° | 109.4° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.5° | 109.4° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| H39 | C52 | H40 | 109.4° | 109.5° |
| H39 | C52 | H41 | 109.4° | 109.5° |
| H40 | C52 | H41 | 109.5° | 109.4° |
| H42 | C53 | H43 | 109.5° | 109.4° |
| H42 | C53 | H44 | 109.5° | 109.5° |
| H43 | C53 | H44 | 109.4° | 109.5° |
| H45 | C7 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O2 | 179.8° | 179.8° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | C53 | 179.9° | 180.0° |
| C1 | C2 | C3 | C7 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | C53 | 179.6° | 179.9° |
| C1 | C6 | C5 | C52 | 180.0° | 180.0° |
| C6 | C1 | C2 | H1 | 179.6° | 180.0° |
| C1 | C6 | C53 | H42 | 180.0° | 0.0° |
| C1 | C6 | C53 | H43 | 60.0° | 120.0° |
| C1 | C6 | C53 | H44 | 60.0° | 120.0° |
| O2 | C1 | C2 | C3 | 179.8° | 179.8° |
| O2 | C1 | C6 | C5 | 179.7° | 179.7° |
| O2 | C1 | C6 | C53 | 0.0° | 0.2° |
| O2 | C1 | C2 | H1 | 0.2° | 0.2° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | C7 | 179.7° | 180.0° |
| C2 | C3 | C4 | O1 | 179.9° | 179.9° |
| C2 | C3 | C7 | C8 | 113.7° | 95.0° |
| C2 | C3 | C7 | H45 | 6.6° | 25.0° |
| C2 | C3 | C7 | H46 | 126.0° | 145.0° |
| C9 | C11 | C12 | H2 | 120.3° | 120.0° |
| C9 | C11 | C12 | H3 | 120.3° | 119.9° |
| C11 | C9 | C8 | C10 | 0.8° | 180.0° |
| C11 | C9 | C8 | C7 | 179.9° | 174.6° |
| C9 | C11 | C12 | C13 | 154.0° | 180.0° |
| C9 | C11 | H2 | H3 | 119.0° | 120.0° |
| C11 | C9 | C8 | H21 | 0.2° | 5.5° |
| C11 | C9 | C10 | H24 | 180.0° | 2.3° |
| C11 | C9 | C10 | H25 | 60.0° | 122.4° |
| C11 | C9 | C10 | H26 | 60.0° | 117.7° |
| C9 | C11 | C12 | H27 | 33.9° | 60.0° |
| C9 | C11 | C12 | H28 | 86.0° | 60.1° |
| C11 | C12 | C13 | C14 | 128.8° | 180.0° |
| C12 | C11 | C9 | C8 | 92.4° | 95.0° |
| C12 | C11 | C9 | C10 | 88.0° | 85.0° |
| C11 | C12 | C13 | H27 | 120.1° | 120.0° |
| C11 | C12 | C13 | H28 | 120.1° | 120.0° |
| C12 | C11 | H2 | H3 | 119.0° | 120.0° |
| C11 | C12 | H27 | H28 | 119.8° | 120.0° |
| C11 | C12 | C13 | H29 | 8.4° | 60.0° |
| C11 | C12 | C13 | H30 | 110.8° | 60.0° |
| C15 | C14 | C16 | C13 | 179.6° | 120.0° |
| C15 | C14 | C16 | H4 | 90.2° | 120.0° |
| C15 | C14 | C13 | H4 | 91.1° | 120.0° |
| C15 | C14 | C16 | C17 | 87.3° | 65.0° |
| C15 | C14 | C13 | C12 | 179.0° | 65.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.1° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C14 | C16 | H8 | 152.3° | 175.0° |
| C15 | C14 | C16 | H9 | 33.2° | 55.0° |
| C15 | C14 | C13 | H29 | 58.6° | 55.0° |
| C15 | C14 | C13 | H30 | 60.6° | 175.0° |
| C16 | C14 | C13 | H4 | 90.2° | 120.0° |
| C14 | C16 | C17 | H8 | 120.4° | 120.0° |
| C14 | C16 | C17 | H9 | 120.4° | 120.1° |
| C14 | C16 | C17 | C18 | 126.3° | 180.0° |
| C16 | C14 | C13 | C12 | 179.9° | 175.0° |
| C16 | C14 | C15 | H5 | 180.0° | 60.0° |
| C16 | C14 | C15 | H6 | 60.0° | 180.0° |
| C16 | C14 | C15 | H7 | 60.0° | 60.0° |
| C14 | C16 | H8 | H9 | 118.7° | 120.0° |
| C14 | C16 | C17 | H10 | 113.9° | 60.0° |
| C14 | C16 | C17 | H11 | 6.4° | 60.0° |
| C16 | C14 | C13 | H29 | 59.5° | 64.9° |
| C16 | C14 | C13 | H30 | 59.7° | 55.0° |
| C13 | C14 | C16 | C17 | 93.1° | 175.0° |
| C14 | C13 | C12 | H29 | 120.4° | 120.0° |
| C14 | C13 | C12 | H30 | 120.4° | 120.0° |
| C13 | C14 | C15 | H5 | 179.1° | 60.0° |
| C13 | C14 | C15 | H6 | 60.9° | 60.0° |
| C13 | C14 | C15 | H7 | 59.1° | 180.0° |
| C13 | C14 | C16 | H8 | 27.3° | 55.0° |
| C13 | C14 | C16 | H9 | 146.4° | 65.0° |
| C14 | C13 | C12 | H27 | 8.7° | 60.0° |
| C14 | C13 | C12 | H28 | 111.1° | 60.0° |
| C14 | C13 | H29 | H30 | 118.8° | 119.9° |
| C16 | C17 | C18 | H10 | 119.8° | 120.0° |
| C16 | C17 | C18 | H11 | 119.9° | 120.0° |
| C16 | C17 | C18 | C19 | 131.7° | 180.0° |
| C17 | C16 | C14 | H4 | 2.9° | 55.0° |
| C17 | C16 | H8 | H9 | 118.7° | 120.0° |
| C16 | C17 | H10 | H11 | 120.5° | 120.0° |
| C16 | C17 | C18 | H31 | 107.0° | 60.0° |
| C16 | C17 | C18 | H22 | 10.5° | 60.0° |
| C17 | C18 | C19 | H31 | 121.2° | 120.0° |
| C17 | C18 | C19 | H22 | 121.2° | 120.0° |
| C17 | C18 | C19 | C20 | 174.3° | 65.0° |
| C17 | C18 | C19 | C21 | 1.1° | 175.0° |
| C18 | C17 | C16 | H8 | 5.9° | 60.0° |
| C18 | C17 | C16 | H9 | 113.3° | 60.0° |
| C18 | C17 | H10 | H11 | 120.5° | 120.0° |
| C17 | C18 | H31 | H22 | 116.0° | 120.1° |
| C17 | C18 | C19 | H47 | 89.7° | 55.0° |
| C18 | C19 | C20 | C21 | 173.4° | 120.0° |
| C18 | C19 | C20 | H47 | 96.1° | 120.0° |
| C18 | C19 | C21 | H47 | 90.9° | 120.0° |
| C18 | C19 | C21 | C22 | 121.4° | 175.0° |
| C19 | C18 | C17 | H10 | 11.9° | 60.0° |
| C19 | C18 | C17 | H11 | 108.4° | 60.0° |
| C19 | C18 | H31 | H22 | 116.0° | 120.0° |
| C18 | C19 | C20 | H32 | 180.0° | 180.0° |
| C18 | C19 | C20 | H33 | 60.0° | 60.0° |
| C18 | C19 | C20 | H34 | 60.0° | 60.1° |
| C18 | C19 | C21 | H35 | 118.3° | 65.0° |
| C18 | C19 | C21 | H36 | 1.1° | 54.9° |
| C20 | C19 | C21 | H47 | 90.5° | 120.0° |
| C20 | C19 | C21 | C22 | 60.0° | 65.0° |
| C20 | C19 | C18 | H31 | 64.5° | 55.0° |
| C19 | C20 | H32 | H33 | 120.0° | 120.0° |
| C19 | C20 | H32 | H34 | 120.0° | 120.0° |
| C19 | C20 | H33 | H34 | 120.0° | 120.0° |
| C20 | C19 | C21 | H35 | 60.3° | 55.0° |
| C20 | C19 | C21 | H36 | 179.7° | 174.9° |
| C20 | C19 | C18 | H22 | 53.0° | 175.0° |
| C19 | C21 | C22 | C23 | 143.5° | 180.0° |
| C19 | C21 | C22 | H35 | 120.3° | 120.0° |
| C19 | C21 | C22 | H36 | 120.3° | 120.1° |
| C21 | C19 | C18 | H31 | 122.3° | 65.0° |
| C21 | C19 | C20 | H32 | 6.6° | 60.0° |
| C21 | C19 | C20 | H33 | 126.6° | 180.0° |
| C21 | C19 | C20 | H34 | 113.4° | 60.0° |
| C19 | C21 | H35 | H36 | 119.0° | 120.0° |
| C19 | C21 | C22 | H37 | 23.5° | 60.0° |
| C19 | C21 | C22 | H38 | 96.4° | 60.0° |
| C21 | C19 | C18 | H22 | 120.1° | 54.9° |
| C24 | C23 | C22 | H12 | 120.5° | 120.0° |
| C24 | C23 | C22 | H13 | 120.4° | 120.0° |
| C23 | C24 | C25 | C26 | 180.0° | 120.0° |
| C23 | C24 | C25 | H14 | 90.0° | 120.0° |
| C23 | C24 | C26 | H14 | 90.1° | 120.0° |
| C24 | C23 | C22 | C21 | 154.5° | 180.0° |
| C24 | C23 | H12 | H13 | 118.7° | 120.1° |
| C23 | C24 | C25 | H15 | 180.0° | 179.9° |
| C23 | C24 | C25 | H16 | 60.0° | 60.0° |
| C23 | C24 | C25 | H17 | 60.0° | 60.0° |
| C23 | C24 | C26 | H18 | 180.0° | 60.0° |
| C23 | C24 | C26 | H19 | 60.0° | 180.0° |
| C23 | C24 | C26 | H20 | 60.0° | 60.0° |
| C24 | C23 | C22 | H37 | 34.5° | 60.0° |
| C24 | C23 | C22 | H38 | 85.5° | 60.0° |
| C22 | C23 | C24 | C25 | 179.9° | 65.0° |
| C22 | C23 | C24 | C26 | 179.9° | 175.0° |
| C23 | C22 | C21 | H37 | 120.0° | 120.0° |
| C23 | C22 | C21 | H38 | 120.0° | 120.0° |
| C22 | C23 | H12 | H13 | 118.6° | 119.9° |
| C22 | C23 | C24 | H14 | 90.0° | 55.0° |
| C23 | C22 | C21 | H35 | 23.2° | 60.0° |
| C23 | C22 | C21 | H36 | 96.2° | 59.9° |
| C23 | C22 | H37 | H38 | 120.0° | 120.0° |
| C25 | C24 | C26 | H14 | 90.0° | 120.0° |
| C25 | C24 | C23 | H12 | 59.6° | 175.0° |
| C25 | C24 | C23 | H13 | 59.5° | 55.0° |
| C24 | C25 | H15 | H16 | 120.0° | 119.9° |
| C24 | C25 | H15 | H17 | 120.0° | 120.0° |
| C24 | C25 | H16 | H17 | 120.0° | 120.0° |
| C25 | C24 | C26 | H18 | 180.0° | 180.0° |
| C25 | C24 | C26 | H19 | 60.0° | 60.0° |
| C25 | C24 | C26 | H20 | 60.0° | 60.0° |
| C26 | C24 | C23 | H12 | 59.7° | 55.0° |
| C26 | C24 | C23 | H13 | 59.5° | 65.0° |
| C26 | C24 | C25 | H15 | 0.1° | 60.1° |
| C26 | C24 | C25 | H16 | 120.0° | 180.0° |
| C26 | C24 | C25 | H17 | 120.0° | 60.0° |
| C24 | C26 | H18 | H19 | 120.0° | 120.0° |
| C24 | C26 | H18 | H20 | 120.0° | 120.1° |
| C24 | C26 | H19 | H20 | 120.0° | 120.0° |
| C5 | C4 | C3 | O1 | 179.9° | 179.9° |
| C4 | C5 | C6 | C52 | 179.7° | 179.9° |
| C4 | C5 | C6 | C53 | 179.9° | 180.0° |
| C5 | C4 | C3 | C7 | 179.7° | 180.0° |
| C4 | C5 | C52 | H39 | 180.0° | 0.1° |
| C4 | C5 | C52 | H40 | 60.0° | 120.1° |
| C4 | C5 | C52 | H41 | 60.0° | 120.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | C52 | 179.7° | 180.0° |
| C4 | C3 | C7 | C8 | 66.5° | 85.0° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C4 | C3 | C7 | H45 | 173.1° | 155.0° |
| C4 | C3 | C7 | H46 | 53.7° | 35.0° |
| O1 | C4 | C5 | C6 | 180.0° | 180.0° |
| O1 | C4 | C5 | C52 | 0.3° | 0.2° |
| O1 | C4 | C3 | C7 | 0.2° | 0.1° |
| C6 | C5 | C52 | H39 | 0.3° | 179.9° |
| C6 | C5 | C52 | H40 | 120.3° | 60.1° |
| C6 | C5 | C52 | H41 | 119.7° | 59.9° |
| C5 | C6 | C53 | H42 | 0.4° | 179.9° |
| C5 | C6 | C53 | H43 | 120.4° | 60.1° |
| C5 | C6 | C53 | H44 | 119.7° | 60.0° |
| C52 | C5 | C6 | C53 | 0.4° | 0.1° |
| C5 | C52 | H39 | H40 | 120.0° | 120.0° |
| C5 | C52 | H39 | H41 | 120.0° | 120.1° |
| C5 | C52 | H40 | H41 | 120.0° | 120.0° |
| C6 | C53 | H42 | H43 | 120.0° | 120.0° |
| C6 | C53 | H42 | H44 | 120.0° | 120.0° |
| C6 | C53 | H43 | H44 | 120.0° | 120.0° |
| C9 | C8 | C7 | H21 | 180.0° | 180.0° |
| C9 | C8 | C7 | C3 | 117.9° | 125.7° |
| C8 | C9 | C11 | H2 | 27.9° | 145.0° |
| C8 | C9 | C11 | H3 | 147.3° | 25.0° |
| C8 | C9 | C10 | H24 | 179.1° | 177.7° |
| C8 | C9 | C10 | H25 | 60.9° | 57.7° |
| C8 | C9 | C10 | H26 | 59.1° | 62.3° |
| C9 | C8 | C7 | H45 | 121.8° | 114.3° |
| C9 | C8 | C7 | H46 | 2.4° | 5.7° |
| C7 | C8 | C9 | C10 | 179.3° | 5.4° |
| C8 | C7 | C3 | H45 | 120.3° | 120.0° |
| C8 | C7 | C3 | H46 | 120.3° | 120.0° |
| C8 | C7 | H45 | H46 | 119.0° | 120.0° |
| C10 | C9 | C11 | H2 | 151.7° | 35.0° |
| C10 | C9 | C11 | H3 | 32.3° | 155.0° |
| C10 | C9 | C8 | H21 | 0.7° | 174.6° |
| C9 | C10 | H24 | H25 | 120.0° | 120.1° |
| C9 | C10 | H24 | H26 | 120.0° | 120.0° |
| C9 | C10 | H25 | H26 | 120.0° | 120.0° |
| C13 | C12 | C11 | H2 | 85.7° | 60.0° |
| C13 | C12 | C11 | H3 | 33.7° | 60.0° |
| C12 | C13 | C14 | H4 | 89.9° | 55.0° |
| C13 | C12 | H27 | H28 | 119.7° | 120.0° |
| C12 | C13 | H29 | H30 | 118.7° | 120.1° |
| C21 | C22 | C23 | H12 | 85.0° | 60.0° |
| C21 | C22 | C23 | H13 | 34.1° | 60.0° |
| C22 | C21 | H35 | H36 | 119.1° | 120.0° |
| C21 | C22 | H37 | H38 | 120.0° | 119.9° |
| C22 | C21 | C19 | H47 | 30.5° | 55.0° |
| C7 | C3 | C2 | H1 | 0.4° | 0.0° |
| C3 | C7 | C8 | H21 | 62.1° | 54.2° |
| C3 | C7 | H45 | H46 | 119.0° | 120.1° |
| H2 | C11 | C12 | H27 | 154.2° | NaN° |
| H2 | C11 | C12 | H28 | 34.4° | 60.0° |
| H3 | C11 | C12 | H27 | 86.5° | 60.0° |
| H3 | C11 | C12 | H28 | 153.7° | 180.0° |
| H4 | C14 | C15 | H5 | 89.9° | 179.9° |
| H4 | C14 | C15 | H6 | 30.1° | 60.0° |
| H4 | C14 | C15 | H7 | 150.1° | 60.0° |
| H4 | C14 | C16 | H8 | 117.5° | 65.0° |
| H4 | C14 | C16 | H9 | 123.3° | 175.0° |
| H4 | C14 | C13 | H29 | 149.7° | 175.0° |
| H4 | C14 | C13 | H30 | 30.5° | 65.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C16 | C17 | H10 | 125.7° | 180.0° |
| H8 | C16 | C17 | H11 | 114.0° | 60.0° |
| H9 | C16 | C17 | H10 | 6.5° | 60.0° |
| H9 | C16 | C17 | H11 | 126.8° | 179.9° |
| H10 | C17 | C18 | H31 | 133.2° | 180.0° |
| H10 | C17 | C18 | H22 | 109.3° | 60.0° |
| H11 | C17 | C18 | H31 | 12.8° | 60.0° |
| H11 | C17 | C18 | H22 | 130.4° | 180.0° |
| H12 | C23 | C24 | H14 | 30.4° | 65.0° |
| H12 | C23 | C22 | H37 | 155.0° | 180.0° |
| H12 | C23 | C22 | H38 | 35.0° | 60.0° |
| H13 | C23 | C24 | H14 | 149.5° | 175.0° |
| H13 | C23 | C22 | H37 | 85.9° | 60.0° |
| H13 | C23 | C22 | H38 | 154.1° | 180.0° |
| H14 | C24 | C25 | H15 | 90.0° | 59.9° |
| H14 | C24 | C25 | H16 | 150.0° | 60.0° |
| H14 | C24 | C25 | H17 | 30.0° | 180.0° |
| H14 | C24 | C26 | H18 | 89.9° | 60.0° |
| H14 | C24 | C26 | H19 | 150.1° | 60.0° |
| H14 | C24 | C26 | H20 | 30.1° | 179.9° |
| H15 | C25 | H16 | H17 | 119.9° | 120.1° |
| H18 | C26 | H19 | H20 | 120.0° | 120.0° |
| H21 | C8 | C7 | H45 | 58.2° | 65.8° |
| H21 | C8 | C7 | H46 | 177.6° | 174.3° |
| H24 | C10 | H25 | H26 | 120.0° | 119.9° |
| H27 | C12 | C13 | H29 | 111.7° | 60.0° |
| H27 | C12 | C13 | H30 | 129.1° | 180.0° |
| H28 | C12 | C13 | H29 | 128.5° | 180.0° |
| H28 | C12 | C13 | H30 | 9.3° | 60.0° |
| H31 | C18 | C19 | H47 | 31.6° | 175.0° |
| H32 | C20 | H33 | H34 | 120.0° | 120.0° |
| H32 | C20 | C19 | H47 | 83.9° | 60.0° |
| H33 | C20 | C19 | H47 | 36.1° | 60.0° |
| H34 | C20 | C19 | H47 | 156.1° | 179.9° |
| H35 | C21 | C22 | H37 | 96.8° | 60.1° |
| H35 | C21 | C22 | H38 | 143.2° | 180.0° |
| H35 | C21 | C19 | H47 | 150.9° | 175.0° |
| H36 | C21 | C22 | H37 | 143.8° | 180.0° |
| H36 | C21 | C22 | H38 | 23.8° | 60.1° |
| H36 | C21 | C19 | H47 | 89.8° | 65.1° |
| H39 | C52 | H40 | H41 | 120.0° | 120.0° |
| H42 | C53 | H43 | H44 | 120.0° | 120.0° |
| H47 | C19 | C18 | H22 | 149.1° | 65.0° |
