A1IOA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.54Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.52Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.52Å | 1.53Å | |
| C18 | N1 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| O7 | C23 | doub | 1.21Å | 1.20Å | |
| N1 | C23 | sing | 1.35Å | 1.34Å | |
| N1 | C22 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| O6 | C17 | doub | 1.21Å | 1.18Å | |
| C24 | C4 | sing | 1.51Å | 1.52Å | |
| C17 | O5 | sing | 1.34Å | 1.32Å | |
| O5 | C16 | sing | 1.45Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.51Å | 1.44Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | doub | 1.31Å | 1.32Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| O4 | C12 | sing | 1.43Å | 1.42Å | |
| O4 | C11 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C2 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.35Å | |
| C9 | O3 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 115.5° | 109.5° |
| C27 | C26 | C25 | 115.3° | 109.5° |
| C27 | C26 | H35 | 108.0° | 109.5° |
| C27 | C26 | H34 | 108.0° | 109.5° |
| C26 | C27 | H36 | 107.9° | 109.4° |
| C26 | C27 | H37 | 107.9° | 109.5° |
| C27 | C28 | C29 | 110.1° | 109.4° |
| C28 | C27 | H36 | 107.9° | 109.5° |
| C28 | C27 | H37 | 107.9° | 109.5° |
| C27 | C28 | H38 | 109.3° | 109.5° |
| C27 | C28 | H39 | 109.3° | 109.5° |
| C20 | C19 | C18 | 112.8° | 109.2° |
| C19 | C20 | C21 | 108.4° | 112.2° |
| C20 | C19 | H25 | 108.6° | 109.5° |
| C20 | C19 | H24 | 108.6° | 109.5° |
| C19 | C20 | H26 | 109.7° | 108.9° |
| C19 | C20 | H27 | 109.8° | 109.0° |
| C19 | C18 | N1 | 110.6° | 108.8° |
| C19 | C18 | C17 | 110.5° | 109.2° |
| C19 | C18 | H23 | 108.7° | 109.4° |
| C18 | C19 | H25 | 108.6° | 109.5° |
| C18 | C19 | H24 | 108.6° | 109.5° |
| C26 | C25 | C24 | 111.3° | 109.5° |
| C26 | C25 | C30 | 110.4° | 109.4° |
| C26 | C25 | H33 | 108.3° | 109.5° |
| C25 | C26 | H35 | 108.0° | 109.5° |
| C25 | C26 | H34 | 108.0° | 109.4° |
| C20 | C21 | C22 | 111.7° | 112.4° |
| C21 | C20 | H26 | 109.7° | 108.9° |
| C21 | C20 | H27 | 109.8° | 109.0° |
| C20 | C21 | H28 | 108.9° | 108.9° |
| C20 | C21 | H29 | 108.9° | 108.8° |
| C28 | C29 | C30 | 110.5° | 109.5° |
| C29 | C28 | H38 | 109.3° | 109.5° |
| C29 | C28 | H39 | 109.3° | 109.4° |
| C28 | C29 | H40 | 109.2° | 109.4° |
| C28 | C29 | H41 | 109.2° | 109.5° |
| C21 | C22 | N1 | 113.4° | 110.1° |
| C22 | C21 | H28 | 108.9° | 108.9° |
| C22 | C21 | H29 | 108.9° | 108.9° |
| C21 | C22 | H30 | 108.5° | 109.3° |
| C21 | C22 | H31 | 108.5° | 109.4° |
| N1 | C18 | C17 | 108.6° | 109.7° |
| C18 | N1 | C23 | 119.6° | 120.8° |
| C18 | N1 | C22 | 114.7° | 119.3° |
| N1 | C18 | H23 | 109.5° | 109.7° |
| C18 | C17 | O6 | 125.1° | 120.1° |
| C18 | C17 | O5 | 112.1° | 119.8° |
| C17 | C18 | H23 | 108.9° | 110.0° |
| O7 | C23 | N1 | 119.4° | 120.4° |
| O7 | C23 | C24 | 117.8° | 120.5° |
| C23 | N1 | C22 | 125.0° | 119.8° |
| N1 | C23 | C24 | 122.6° | 119.1° |
| N1 | C22 | H30 | 108.5° | 109.4° |
| N1 | C22 | H31 | 108.5° | 109.4° |
| C23 | C24 | C25 | 108.7° | 109.3° |
| C23 | C24 | C4 | 111.1° | 110.6° |
| C23 | C24 | H32 | 109.2° | 109.2° |
| C24 | C25 | C30 | 110.3° | 109.4° |
| C25 | C24 | C4 | 110.1° | 109.2° |
| C25 | C24 | H32 | 108.6° | 109.2° |
| C24 | C25 | H33 | 108.1° | 109.5° |
| C25 | C30 | C29 | 111.6° | 109.5° |
| C30 | C25 | H33 | 108.4° | 109.5° |
| C25 | C30 | H43 | 108.9° | 109.5° |
| C25 | C30 | H42 | 108.9° | 109.5° |
| C30 | C29 | H40 | 109.2° | 109.5° |
| C30 | C29 | H41 | 109.2° | 109.5° |
| C29 | C30 | H43 | 109.0° | 109.4° |
| C29 | C30 | H42 | 109.0° | 109.5° |
| O6 | C17 | O5 | 122.7° | 120.1° |
| C24 | C4 | C5 | 123.0° | 120.6° |
| C24 | C4 | C3 | 118.0° | 119.3° |
| C4 | C24 | H32 | 109.0° | 109.3° |
| C17 | O5 | C16 | 115.6° | 116.9° |
| O5 | C16 | C15 | 105.4° | 109.7° |
| O5 | C16 | H22 | 110.5° | 109.5° |
| O5 | C16 | H21 | 110.5° | 109.4° |
| C5 | C4 | C3 | 119.1° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.2° |
| C4 | C5 | H5 | 119.6° | 119.9° |
| C4 | C3 | C2 | 119.7° | 120.2° |
| C4 | C3 | H4 | 120.1° | 119.8° |
| C5 | C6 | C7 | 119.5° | 119.9° |
| C5 | C6 | O3 | 129.9° | 120.6° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C3 | C2 | C7 | 121.6° | 119.9° |
| C3 | C2 | O1 | 126.2° | 120.1° |
| C2 | C3 | H4 | 120.1° | 120.0° |
| C16 | C15 | C14 | 111.8° | 109.3° |
| C16 | C15 | H20 | 108.9° | 109.5° |
| C16 | C15 | H19 | 108.9° | 109.5° |
| C15 | C16 | H22 | 110.5° | 109.4° |
| C15 | C16 | H21 | 110.5° | 109.4° |
| C15 | C14 | C13 | 126.4° | 120.1° |
| C15 | C14 | H18 | 116.8° | 120.0° |
| C14 | C15 | H20 | 108.9° | 109.5° |
| C14 | C15 | H19 | 108.9° | 109.5° |
| C9 | C10 | C11 | 112.9° | 109.7° |
| C10 | C9 | O3 | 109.1° | 109.4° |
| C10 | C9 | H10 | 109.6° | 109.5° |
| C10 | C9 | H9 | 109.6° | 109.5° |
| C9 | C10 | H11 | 108.6° | 109.4° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C10 | C11 | O4 | 102.8° | 109.8° |
| C10 | C11 | H13 | 111.1° | 109.4° |
| C10 | C11 | H14 | 111.1° | 109.4° |
| C11 | C10 | H11 | 108.6° | 109.4° |
| C11 | C10 | H12 | 108.6° | 109.4° |
| C14 | C13 | C12 | 123.3° | 119.9° |
| C13 | C14 | H18 | 116.8° | 119.9° |
| C14 | C13 | H17 | 118.3° | 120.1° |
| C13 | C12 | O4 | 102.6° | 109.1° |
| C13 | C12 | H16 | 111.2° | 109.5° |
| C13 | C12 | H15 | 111.2° | 109.6° |
| C12 | C13 | H17 | 118.4° | 120.0° |
| C12 | O4 | C11 | 114.1° | 114.3° |
| O4 | C12 | H16 | 111.1° | 109.5° |
| O4 | C12 | H15 | 111.2° | 109.6° |
| O4 | C11 | H13 | 111.1° | 109.4° |
| O4 | C11 | H14 | 111.1° | 109.4° |
| C7 | C6 | O3 | 110.6° | 119.5° |
| C6 | C7 | C2 | 119.2° | 119.8° |
| C6 | C7 | O2 | 121.1° | 120.1° |
| C6 | O3 | C9 | 118.2° | 117.7° |
| C7 | C2 | O1 | 112.2° | 120.0° |
| C2 | C7 | O2 | 119.6° | 120.1° |
| C2 | O1 | C1 | 118.0° | 117.0° |
| O3 | C9 | H10 | 109.6° | 109.5° |
| O3 | C9 | H9 | 109.6° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.4° | 109.4° |
| C7 | O2 | C8 | 116.7° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.4° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.4° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.4° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H22 | C16 | H21 | 109.5° | 109.4° |
| H25 | C19 | H24 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 108.8° |
| H28 | C21 | H29 | 109.5° | 108.9° |
| H30 | C22 | H31 | 109.5° | 109.3° |
| H35 | C26 | H34 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.4° |
| H38 | C28 | H39 | 109.5° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H43 | C30 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H36 | 120.9° | 120.0° |
| C26 | C27 | C28 | H37 | 120.9° | 120.0° |
| C27 | C26 | C25 | H35 | 120.9° | 120.0° |
| C27 | C26 | C25 | H34 | 120.8° | 120.0° |
| C26 | C27 | C28 | C29 | 49.0° | 60.0° |
| C27 | C26 | C25 | C24 | 165.1° | 180.0° |
| C27 | C26 | C25 | C30 | 42.3° | 60.0° |
| C27 | C26 | C25 | H33 | 76.3° | 60.0° |
| C27 | C26 | H35 | H34 | 117.3° | 120.0° |
| C26 | C27 | H36 | H37 | 117.3° | 119.9° |
| C26 | C27 | C28 | H38 | 71.1° | 60.0° |
| C26 | C27 | C28 | H39 | 169.0° | 180.0° |
| C28 | C27 | C26 | C25 | 41.8° | 60.0° |
| C27 | C28 | C29 | H38 | 120.1° | 120.0° |
| C27 | C28 | C29 | H39 | 120.1° | 120.0° |
| C27 | C28 | C29 | C30 | 59.3° | 60.0° |
| C28 | C27 | C26 | H35 | 162.7° | 60.0° |
| C28 | C27 | C26 | H34 | 79.0° | 180.0° |
| C28 | C27 | H36 | H37 | 117.2° | 120.1° |
| C27 | C28 | H38 | H39 | 119.7° | 120.0° |
| C27 | C28 | C29 | H40 | 179.4° | 180.0° |
| C27 | C28 | C29 | H41 | 60.9° | 60.0° |
| C20 | C19 | C18 | H25 | 120.5° | 119.9° |
| C20 | C19 | C18 | H24 | 120.5° | 119.9° |
| C19 | C20 | C21 | H26 | 119.8° | 120.7° |
| C19 | C20 | C21 | H27 | 119.8° | 120.8° |
| C19 | C20 | C21 | C22 | 56.3° | 9.6° |
| C20 | C19 | C18 | N1 | 54.4° | 52.9° |
| C20 | C19 | C18 | C17 | 65.9° | 172.6° |
| C20 | C19 | C18 | H23 | 174.6° | 67.0° |
| C20 | C19 | H25 | H24 | 118.5° | 120.2° |
| C19 | C20 | H26 | H27 | 120.5° | 118.7° |
| C19 | C20 | C21 | H28 | 176.7° | 111.2° |
| C19 | C20 | C21 | H29 | 64.0° | 130.2° |
| C18 | C19 | C20 | C21 | 58.7° | 59.7° |
| C19 | C18 | N1 | C17 | 121.4° | 119.4° |
| C19 | C18 | N1 | H23 | 119.8° | 119.7° |
| C19 | C18 | C17 | H23 | 119.4° | 120.1° |
| C19 | C18 | N1 | C23 | 140.4° | 177.4° |
| C19 | C18 | N1 | C22 | 48.6° | 2.7° |
| C19 | C18 | C17 | O6 | 54.4° | 99.9° |
| C19 | C18 | C17 | O5 | 127.1° | 80.1° |
| C18 | C19 | H25 | H24 | 118.5° | 120.1° |
| C18 | C19 | C20 | H26 | 61.1° | 179.7° |
| C18 | C19 | C20 | H27 | 178.5° | 61.1° |
| C26 | C25 | C24 | C23 | 64.5° | 156.1° |
| C26 | C25 | C24 | C30 | 122.8° | 120.0° |
| C26 | C25 | C24 | H33 | 118.8° | 120.0° |
| C26 | C25 | C30 | H33 | 118.5° | 120.0° |
| C26 | C25 | C30 | C29 | 53.1° | 60.0° |
| C26 | C25 | C24 | C4 | 173.6° | 35.0° |
| C26 | C25 | C24 | H32 | 54.2° | 84.5° |
| C25 | C26 | H35 | H34 | 117.3° | 120.0° |
| C25 | C26 | C27 | H36 | 162.7° | 179.9° |
| C25 | C26 | C27 | H37 | 79.0° | 60.0° |
| C26 | C25 | C30 | H43 | 173.4° | 180.0° |
| C26 | C25 | C30 | H42 | 67.3° | 60.0° |
| C20 | C21 | C22 | H28 | 120.3° | 120.8° |
| C20 | C21 | C22 | H29 | 120.3° | 120.7° |
| C20 | C21 | C22 | N1 | 52.4° | 43.9° |
| C21 | C20 | C19 | H25 | 61.8° | 60.2° |
| C21 | C20 | C19 | H24 | 179.2° | 179.6° |
| C21 | C20 | H26 | H27 | 120.5° | 118.7° |
| C20 | C21 | H28 | H29 | 119.0° | 118.5° |
| C20 | C21 | C22 | H30 | 68.2° | 164.1° |
| C20 | C21 | C22 | H31 | 173.0° | 76.3° |
| C28 | C29 | C30 | C25 | 63.1° | 60.0° |
| C28 | C29 | C30 | H40 | 120.1° | 120.0° |
| C28 | C29 | C30 | H41 | 120.1° | 120.0° |
| C29 | C28 | C27 | H36 | 169.9° | 180.0° |
| C29 | C28 | C27 | H37 | 71.9° | 60.0° |
| C29 | C28 | H38 | H39 | 119.7° | 120.0° |
| C28 | C29 | H40 | H41 | 119.5° | 120.0° |
| C28 | C29 | C30 | H43 | 176.5° | 180.0° |
| C28 | C29 | C30 | H42 | 57.2° | 60.0° |
| C21 | C22 | N1 | C18 | 48.4° | 52.5° |
| C21 | C22 | N1 | C23 | 141.2° | 127.6° |
| C21 | C22 | N1 | H30 | 120.6° | 120.2° |
| C21 | C22 | N1 | H31 | 120.6° | 120.2° |
| C22 | C21 | C20 | H26 | 63.5° | 130.2° |
| C22 | C21 | C20 | H27 | 176.2° | 111.2° |
| C22 | C21 | H28 | H29 | 119.0° | 118.6° |
| C21 | C22 | H30 | H31 | 118.2° | 119.6° |
| N1 | C18 | C17 | H23 | 119.2° | 120.8° |
| C18 | N1 | C23 | O7 | 0.7° | 0.6° |
| C18 | N1 | C23 | C22 | 170.0° | 179.9° |
| C18 | N1 | C23 | C24 | 173.8° | 179.3° |
| N1 | C18 | C17 | O6 | 175.8° | 19.2° |
| N1 | C18 | C17 | O5 | 5.6° | 160.8° |
| N1 | C18 | C19 | H25 | 66.1° | 67.1° |
| N1 | C18 | C19 | H24 | 174.9° | 172.8° |
| C18 | N1 | C22 | H30 | 72.2° | 172.7° |
| C18 | N1 | C22 | H31 | 169.0° | 67.7° |
| C17 | C18 | N1 | C23 | 98.1° | 63.2° |
| C17 | C18 | N1 | C22 | 72.9° | 116.7° |
| C18 | C17 | O6 | O5 | 178.4° | 180.0° |
| C18 | C17 | O5 | C16 | 169.6° | 177.2° |
| C17 | C18 | C19 | H25 | 173.6° | 52.6° |
| C17 | C18 | C19 | H24 | 54.6° | 67.5° |
| O7 | C23 | N1 | C24 | 174.5° | 180.0° |
| O7 | C23 | N1 | C22 | 170.7° | 179.5° |
| O7 | C23 | C24 | C25 | 24.2° | 121.4° |
| O7 | C23 | C24 | C4 | 97.1° | 1.1° |
| O7 | C23 | C24 | H32 | 142.6° | 119.2° |
| N1 | C23 | C24 | C25 | 161.2° | 58.6° |
| N1 | C23 | C24 | C4 | 77.4° | 178.9° |
| C23 | N1 | C18 | H23 | 20.7° | 57.7° |
| C23 | N1 | C22 | H30 | 98.3° | 7.4° |
| C23 | N1 | C22 | H31 | 20.6° | 112.2° |
| N1 | C23 | C24 | H32 | 42.8° | 60.8° |
| C22 | N1 | C23 | C24 | 3.8° | 0.6° |
| C22 | N1 | C18 | H23 | 168.3° | 122.4° |
| N1 | C22 | C21 | H28 | 172.7° | 164.6° |
| N1 | C22 | C21 | H29 | 67.9° | 76.8° |
| N1 | C22 | H30 | H31 | 118.2° | 119.7° |
| C23 | C24 | C25 | C4 | 121.9° | 121.1° |
| C23 | C24 | C25 | H32 | 118.7° | 119.4° |
| C23 | C24 | C25 | C30 | 172.7° | 36.1° |
| C23 | C24 | C4 | H32 | 120.4° | 120.3° |
| C23 | C24 | C4 | C5 | 125.5° | 16.4° |
| C23 | C24 | C4 | C3 | 54.9° | 164.0° |
| C23 | C24 | C25 | H33 | 54.3° | 83.9° |
| C24 | C25 | C30 | H33 | 118.2° | 120.0° |
| C24 | C25 | C30 | C29 | 176.4° | 180.0° |
| C25 | C24 | C4 | H32 | 119.1° | 119.4° |
| C25 | C24 | C4 | C5 | 114.0° | 136.7° |
| C25 | C24 | C4 | C3 | 65.6° | 43.7° |
| C24 | C25 | C26 | H35 | 74.1° | 60.0° |
| C24 | C25 | C26 | H34 | 44.2° | 60.0° |
| C24 | C25 | C30 | H43 | 63.2° | 60.0° |
| C24 | C25 | C30 | H42 | 56.1° | 60.0° |
| C25 | C30 | C29 | H43 | 120.3° | 120.0° |
| C25 | C30 | C29 | H42 | 120.3° | 120.0° |
| C30 | C25 | C24 | C4 | 50.8° | 85.0° |
| C30 | C25 | C24 | H32 | 68.6° | 155.6° |
| C30 | C25 | C26 | H35 | 163.2° | 60.0° |
| C30 | C25 | C26 | H34 | 78.5° | 180.0° |
| C25 | C30 | C29 | H40 | 176.7° | 180.0° |
| C25 | C30 | C29 | H41 | 57.0° | 60.0° |
| C25 | C30 | H43 | H42 | 119.0° | 120.1° |
| C29 | C30 | C25 | H33 | 65.4° | 60.0° |
| C30 | C29 | C28 | H38 | 60.8° | 60.0° |
| C30 | C29 | C28 | H39 | 179.4° | 180.0° |
| C30 | C29 | H40 | H41 | 119.6° | 120.0° |
| C29 | C30 | H43 | H42 | 119.0° | 120.0° |
| O6 | C17 | O5 | C16 | 8.9° | 2.7° |
| O6 | C17 | C18 | H23 | 65.0° | 140.0° |
| C24 | C4 | C5 | C3 | 179.6° | 179.6° |
| C24 | C4 | C5 | C6 | 179.4° | 179.6° |
| C24 | C4 | C3 | C2 | 176.9° | 179.4° |
| C24 | C4 | C5 | H5 | 0.6° | 0.4° |
| C24 | C4 | C3 | H4 | 3.1° | 0.6° |
| C4 | C24 | C25 | H33 | 67.6° | 155.0° |
| C17 | O5 | C16 | C15 | 92.5° | 142.9° |
| C17 | O5 | C16 | H22 | 148.2° | 22.8° |
| C17 | O5 | C16 | H21 | 26.9° | 97.0° |
| O5 | C17 | C18 | H23 | 113.5° | 40.0° |
| O5 | C16 | C15 | H22 | 119.3° | 120.1° |
| O5 | C16 | C15 | H21 | 119.4° | 120.0° |
| O5 | C16 | C15 | C14 | 76.5° | 117.9° |
| O5 | C16 | C15 | H20 | 163.1° | 122.2° |
| O5 | C16 | C15 | H19 | 43.8° | 2.1° |
| O5 | C16 | H22 | H21 | 121.9° | 119.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.7° | 0.2° |
| C4 | C5 | C6 | C7 | 2.6° | 0.4° |
| C4 | C5 | C6 | O3 | 177.6° | 179.1° |
| C5 | C4 | C3 | H4 | 177.2° | 179.9° |
| C5 | C4 | C24 | H32 | 5.1° | 103.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 2.6° | 0.2° |
| C4 | C3 | C2 | O1 | 177.4° | 179.9° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C3 | C4 | C24 | H32 | 175.2° | 75.7° |
| C5 | C6 | C7 | O3 | 179.8° | 179.5° |
| C5 | C6 | C7 | C2 | 2.8° | 0.4° |
| C5 | C6 | O3 | C9 | 6.4° | 33.2° |
| C5 | C6 | C7 | O2 | 179.9° | 179.6° |
| C3 | C2 | C7 | C6 | 0.3° | 0.2° |
| C3 | C2 | C7 | O1 | 180.0° | 179.9° |
| C3 | C2 | O1 | C1 | 21.3° | 0.1° |
| C3 | C2 | C7 | O2 | 177.3° | 179.9° |
| C16 | C15 | C14 | H20 | 120.4° | 119.9° |
| C16 | C15 | C14 | H19 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 135.7° | 133.1° |
| C16 | C15 | C14 | H18 | 44.3° | 45.7° |
| C16 | C15 | H20 | H19 | 118.9° | 120.1° |
| C15 | C16 | H22 | H21 | 121.9° | 119.9° |
| C15 | C14 | C13 | H18 | 180.0° | 178.8° |
| C15 | C14 | C13 | C12 | 172.0° | 177.5° |
| C15 | C14 | C13 | H17 | 8.0° | 2.3° |
| C14 | C15 | H20 | H19 | 118.9° | 120.1° |
| C14 | C15 | C16 | H22 | 42.8° | 2.2° |
| C14 | C15 | C16 | H21 | 164.1° | 122.1° |
| C9 | C10 | C11 | H11 | 120.5° | 120.0° |
| C9 | C10 | C11 | H12 | 120.5° | 120.2° |
| C9 | C10 | C11 | O4 | 114.7° | 69.1° |
| C10 | C9 | O3 | C6 | 77.9° | 163.7° |
| C10 | C9 | O3 | H10 | 119.9° | 119.9° |
| C10 | C9 | O3 | H9 | 120.0° | 120.0° |
| C9 | C10 | C11 | H13 | 126.4° | 50.9° |
| C9 | C10 | C11 | H14 | 4.2° | 170.8° |
| C10 | C9 | H10 | H9 | 120.2° | 120.1° |
| C9 | C10 | H11 | H12 | 118.4° | 119.9° |
| C10 | C11 | O4 | C12 | 174.6° | 103.6° |
| C10 | C11 | O4 | H13 | 118.9° | 120.1° |
| C10 | C11 | O4 | H14 | 118.9° | 120.1° |
| C11 | C10 | C9 | O3 | 51.7° | 152.3° |
| C10 | C11 | H13 | H14 | 123.1° | 119.9° |
| C11 | C10 | C9 | H10 | 68.3° | 32.3° |
| C11 | C10 | C9 | H9 | 171.6° | 87.7° |
| C11 | C10 | H11 | H12 | 118.4° | 119.8° |
| C14 | C13 | C12 | H17 | 180.0° | 179.8° |
| C14 | C13 | C12 | O4 | 80.1° | 63.5° |
| C14 | C13 | C12 | H16 | 38.8° | 176.6° |
| C14 | C13 | C12 | H15 | 161.0° | 56.5° |
| C13 | C14 | C15 | H20 | 104.0° | 106.9° |
| C13 | C14 | C15 | H19 | 15.3° | 13.1° |
| C13 | C12 | O4 | H16 | 118.9° | 119.9° |
| C13 | C12 | O4 | H15 | 118.9° | 120.0° |
| C13 | C12 | O4 | C11 | 175.3° | 141.4° |
| C12 | C13 | C14 | H18 | 8.0° | 1.3° |
| C13 | C12 | H16 | H15 | 123.2° | 120.2° |
| C12 | O4 | C11 | H13 | 55.7° | 136.4° |
| C12 | O4 | C11 | H14 | 66.4° | 16.5° |
| O4 | C12 | H16 | H15 | 123.2° | 120.2° |
| O4 | C12 | C13 | H17 | 99.9° | 116.3° |
| O4 | C11 | H13 | H14 | 123.1° | 119.8° |
| O4 | C11 | C10 | H11 | 5.9° | 50.9° |
| O4 | C11 | C10 | H12 | 124.8° | 170.7° |
| C11 | O4 | C12 | H16 | 56.4° | 21.5° |
| C11 | O4 | C12 | H15 | 65.8° | 98.6° |
| C6 | C7 | C2 | O2 | 177.1° | 180.0° |
| C6 | C7 | C2 | O1 | 179.8° | 179.8° |
| C7 | C6 | O3 | C9 | 173.3° | 147.3° |
| C6 | C7 | O2 | C8 | 76.2° | 90.0° |
| C7 | C6 | C5 | H5 | 177.4° | 179.7° |
| O3 | C6 | C7 | C2 | 177.4° | 179.1° |
| O3 | C6 | C7 | O2 | 0.4° | 0.9° |
| O3 | C6 | C5 | H5 | 2.4° | 0.8° |
| C6 | O3 | C9 | H10 | 162.1° | 76.3° |
| C6 | O3 | C9 | H9 | 42.0° | 43.7° |
| C7 | C2 | O1 | C1 | 158.8° | 180.0° |
| C2 | C7 | O2 | C8 | 100.8° | 90.0° |
| C7 | C2 | C3 | H4 | 177.4° | 179.9° |
| O1 | C2 | C7 | O2 | 2.7° | 0.2° |
| O1 | C2 | C3 | H4 | 2.6° | 0.0° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.1° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O3 | C9 | H10 | H9 | 120.2° | 120.1° |
| O3 | C9 | C10 | H11 | 68.8° | 87.7° |
| O3 | C9 | C10 | H12 | 172.2° | 32.2° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 119.9° |
| C7 | O2 | C8 | H7 | 180.0° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 59.9° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 119.9° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H18 | C14 | C13 | H17 | 172.0° | 178.9° |
| H18 | C14 | C15 | H20 | 76.0° | 74.2° |
| H18 | C14 | C15 | H19 | 164.7° | 165.7° |
| H13 | C11 | C10 | H11 | 113.0° | 170.9° |
| H13 | C11 | C10 | H12 | 5.9° | 69.2° |
| H14 | C11 | C10 | H11 | 124.8° | 69.2° |
| H14 | C11 | C10 | H12 | 116.3° | 50.6° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H11 | 171.2° | 152.3° |
| H10 | C9 | C10 | H12 | 52.3° | 87.8° |
| H9 | C9 | C10 | H11 | 51.1° | 32.3° |
| H9 | C9 | C10 | H12 | 67.8° | 152.2° |
| H16 | C12 | C13 | H17 | 141.2° | 3.6° |
| H15 | C12 | C13 | H17 | 19.0° | 123.7° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H20 | C15 | C16 | H22 | 77.5° | 117.7° |
| H20 | C15 | C16 | H21 | 43.7° | 2.1° |
| H19 | C15 | C16 | H22 | 163.1° | 122.2° |
| H19 | C15 | C16 | H21 | 75.6° | 118.0° |
| H23 | C18 | C19 | H25 | 54.1° | 173.1° |
| H23 | C18 | C19 | H24 | 64.8° | 52.9° |
| H25 | C19 | C20 | H26 | 178.4° | 60.4° |
| H25 | C19 | C20 | H27 | 58.0° | 179.0° |
| H24 | C19 | C20 | H26 | 59.4° | 59.8° |
| H24 | C19 | C20 | H27 | 61.0° | 58.8° |
| H26 | C20 | C21 | H28 | 56.9° | 9.4° |
| H26 | C20 | C21 | H29 | 176.2° | 109.1° |
| H27 | C20 | C21 | H28 | 63.5° | 128.0° |
| H27 | C20 | C21 | H29 | 55.8° | 9.5° |
| H28 | C21 | C22 | H30 | 52.2° | 75.1° |
| H28 | C21 | C22 | H31 | 66.7° | 44.4° |
| H29 | C21 | C22 | H30 | 171.5° | 43.4° |
| H29 | C21 | C22 | H31 | 52.7° | 163.0° |
| H32 | C24 | C25 | H33 | 173.0° | 35.6° |
| H33 | C25 | C26 | H35 | 44.6° | 180.0° |
| H33 | C25 | C26 | H34 | 162.9° | 60.0° |
| H33 | C25 | C30 | H43 | 55.0° | 59.9° |
| H33 | C25 | C30 | H42 | 174.3° | 180.0° |
| H35 | C26 | C27 | H36 | 76.4° | 60.0° |
| H35 | C26 | C27 | H37 | 41.8° | 180.0° |
| H34 | C26 | C27 | H36 | 41.9° | 60.0° |
| H34 | C26 | C27 | H37 | 160.1° | 60.0° |
| H36 | C27 | C28 | H38 | 49.8° | 60.0° |
| H36 | C27 | C28 | H39 | 70.1° | 60.0° |
| H37 | C27 | C28 | H38 | 168.0° | 180.0° |
| H37 | C27 | C28 | H39 | 48.1° | 60.0° |
| H38 | C28 | C29 | H40 | 59.4° | 60.0° |
| H38 | C28 | C29 | H41 | 179.0° | 180.0° |
| H39 | C28 | C29 | H40 | 60.5° | 60.0° |
| H39 | C28 | C29 | H41 | 59.2° | 60.0° |
| H40 | C29 | C30 | H43 | 56.4° | 60.0° |
| H40 | C29 | C30 | H42 | 63.0° | 60.0° |
| H41 | C29 | C30 | H43 | 63.3° | 60.0° |
| H41 | C29 | C30 | H42 | 177.3° | 180.0° |
