A1IOE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C19 | N1 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.50Å | 1.51Å | |
| N1 | C24 | sing | 1.36Å | 1.36Å | |
| N1 | C23 | sing | 1.47Å | 1.47Å | |
| O8 | C24 | doub | 1.21Å | 1.19Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| O7 | C18 | doub | 1.21Å | 1.18Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | sing | 1.53Å | 1.50Å | |
| C18 | O6 | sing | 1.32Å | 1.33Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C25 | C4 | sing | 1.51Å | 1.52Å | |
| O6 | C16 | sing | 1.43Å | 1.49Å | |
| O5 | C15 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.52Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.50Å | 1.49Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.32Å | 1.31Å | |
| C12 | O4 | sing | 1.43Å | 1.36Å | |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| O4 | C10 | sing | 1.43Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C7 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| 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 | |
| C11 | H12 | 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 | |
| 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 | H19 | sing | 1.10Å | 1.10Å | |
| O5 | H20 | sing | 0.97Å | 0.95Å | |
| C16 | H21 | sing | 1.10Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.10Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | 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 | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | 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 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 108.2° | 110.0° |
| C20 | C21 | C22 | 108.6° | 108.2° |
| C21 | C20 | H27 | 109.8° | 109.7° |
| C21 | C20 | H26 | 109.8° | 109.5° |
| C20 | C21 | H28 | 109.7° | 109.8° |
| C20 | C21 | H29 | 109.7° | 109.6° |
| C20 | C19 | N1 | 117.2° | 111.7° |
| C20 | C19 | C18 | 104.8° | 107.0° |
| C20 | C19 | H25 | 107.4° | 107.1° |
| C19 | C20 | H27 | 109.8° | 110.0° |
| C19 | C20 | H26 | 109.8° | 108.7° |
| C27 | C28 | C29 | 112.2° | 109.5° |
| C28 | C27 | C26 | 114.1° | 109.4° |
| C28 | C27 | H37 | 108.3° | 109.4° |
| C28 | C27 | H36 | 108.3° | 109.5° |
| C27 | C28 | H38 | 108.8° | 109.5° |
| C27 | C28 | H39 | 108.8° | 109.4° |
| C28 | C29 | C30 | 105.7° | 109.5° |
| C29 | C28 | H38 | 108.8° | 109.5° |
| C29 | C28 | H39 | 108.8° | 109.5° |
| C28 | C29 | H40 | 110.4° | 109.5° |
| C28 | C29 | H41 | 110.4° | 109.5° |
| C21 | C22 | C23 | 111.3° | 109.0° |
| C22 | C21 | H28 | 109.7° | 109.7° |
| C22 | C21 | H29 | 109.7° | 109.8° |
| C21 | C22 | H30 | 109.0° | 109.5° |
| C21 | C22 | H31 | 109.0° | 109.7° |
| C27 | C26 | C25 | 109.9° | 109.4° |
| C27 | C26 | C31 | 107.7° | 109.5° |
| C27 | C26 | H35 | 107.7° | 109.5° |
| C26 | C27 | H37 | 108.3° | 109.5° |
| C26 | C27 | H36 | 108.3° | 109.5° |
| C22 | C23 | N1 | 108.8° | 111.1° |
| C23 | C22 | H30 | 109.0° | 109.4° |
| C23 | C22 | H31 | 109.0° | 110.0° |
| C22 | C23 | H32 | 109.7° | 109.5° |
| C22 | C23 | H33 | 109.6° | 108.6° |
| C29 | C30 | C31 | 113.5° | 109.5° |
| C30 | C29 | H40 | 110.4° | 109.5° |
| C30 | C29 | H41 | 110.4° | 109.5° |
| C29 | C30 | H42 | 108.5° | 109.4° |
| C29 | C30 | H43 | 108.5° | 109.5° |
| N1 | C19 | C18 | 111.1° | 114.7° |
| C19 | N1 | C24 | 118.6° | 121.1° |
| C19 | N1 | C23 | 114.7° | 120.9° |
| N1 | C19 | H25 | 108.3° | 107.6° |
| C19 | C18 | O7 | 122.6° | 117.4° |
| C19 | C18 | O6 | 114.4° | 123.4° |
| C18 | C19 | H25 | 107.6° | 108.5° |
| C24 | N1 | C23 | 125.6° | 118.0° |
| N1 | C24 | O8 | 121.4° | 120.9° |
| N1 | C24 | C25 | 119.3° | 119.0° |
| N1 | C23 | H32 | 109.6° | 109.7° |
| N1 | C23 | H33 | 109.7° | 109.8° |
| O8 | C24 | C25 | 118.8° | 120.2° |
| C24 | C25 | C26 | 111.6° | 109.1° |
| C24 | C25 | C4 | 108.6° | 111.3° |
| C24 | C25 | H34 | 108.0° | 110.0° |
| O7 | C18 | O6 | 122.8° | 119.1° |
| C25 | C26 | C31 | 115.3° | 109.5° |
| C26 | C25 | C4 | 112.7° | 107.9° |
| C26 | C25 | H34 | 107.7° | 109.4° |
| C25 | C26 | H35 | 107.7° | 109.5° |
| C26 | C31 | C30 | 111.6° | 109.5° |
| C31 | C26 | H35 | 108.2° | 109.5° |
| C26 | C31 | H45 | 108.9° | 109.4° |
| C26 | C31 | H44 | 108.9° | 109.5° |
| C18 | O6 | C16 | 114.9° | 122.8° |
| C31 | C30 | H42 | 108.5° | 109.5° |
| C31 | C30 | H43 | 108.5° | 109.5° |
| C30 | C31 | H45 | 108.9° | 109.4° |
| C30 | C31 | H44 | 109.0° | 109.5° |
| C25 | C4 | C5 | 119.9° | 120.2° |
| C25 | C4 | C3 | 119.0° | 119.7° |
| C4 | C25 | H34 | 108.0° | 109.0° |
| O6 | C16 | C15 | 107.7° | 115.0° |
| O6 | C16 | C17 | 111.1° | 108.7° |
| O6 | C16 | H21 | 109.1° | 108.3° |
| O5 | C15 | C16 | 112.6° | 109.6° |
| O5 | C15 | C14 | 108.1° | 109.3° |
| O5 | C15 | H19 | 108.1° | 108.5° |
| C15 | O5 | H20 | 109.5° | 114.0° |
| C5 | C4 | C3 | 120.9° | 120.1° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C4 | C5 | H5 | 120.2° | 120.4° |
| C4 | C3 | C2 | 119.9° | 120.2° |
| C4 | C3 | H4 | 120.0° | 119.7° |
| C5 | C6 | O3 | 127.2° | 119.9° |
| C5 | C6 | C7 | 119.5° | 119.9° |
| C6 | C5 | H5 | 120.2° | 119.5° |
| C15 | C16 | C17 | 111.5° | 108.6° |
| C16 | C15 | C14 | 113.1° | 112.3° |
| C16 | C15 | H19 | 107.3° | 108.6° |
| C15 | C16 | H21 | 108.7° | 108.3° |
| C17 | C16 | H21 | 108.7° | 107.7° |
| C16 | C17 | H23 | 109.5° | 109.4° |
| C16 | C17 | H24 | 109.5° | 109.4° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C3 | C2 | C7 | 118.5° | 119.8° |
| C3 | C2 | O1 | 125.8° | 120.2° |
| C2 | C3 | H4 | 120.1° | 120.2° |
| C15 | C14 | C13 | 118.5° | 118.7° |
| C15 | C14 | H18 | 120.8° | 121.2° |
| C14 | C15 | H19 | 107.5° | 108.5° |
| C12 | C13 | C14 | 129.3° | 120.5° |
| C13 | C12 | O4 | 111.5° | 109.3° |
| C13 | C12 | H16 | 109.0° | 109.6° |
| C13 | C12 | H15 | 109.0° | 109.4° |
| C12 | C13 | H17 | 115.3° | 120.2° |
| C13 | C14 | H18 | 120.8° | 120.1° |
| C14 | C13 | H17 | 115.3° | 119.3° |
| C12 | O4 | C10 | 116.3° | 115.0° |
| O4 | C12 | H16 | 109.0° | 109.7° |
| O4 | C12 | H15 | 109.0° | 109.3° |
| O3 | C6 | C7 | 113.0° | 120.2° |
| C6 | O3 | C9 | 118.3° | 117.2° |
| C6 | C7 | C2 | 121.1° | 120.0° |
| C6 | C7 | O2 | 118.9° | 119.7° |
| C10 | C9 | O3 | 108.5° | 109.7° |
| C9 | C10 | C11 | 110.9° | 109.4° |
| C9 | C10 | O4 | 103.3° | 109.5° |
| C10 | C9 | H10 | 109.7° | 109.4° |
| C10 | C9 | H9 | 109.7° | 109.6° |
| C9 | C10 | H11 | 108.6° | 109.4° |
| O3 | C9 | H10 | 109.7° | 109.4° |
| O3 | C9 | H9 | 109.7° | 109.4° |
| C11 | C10 | O4 | 116.0° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.4° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.4° |
| C7 | C2 | O1 | 114.9° | 120.1° |
| C2 | C7 | O2 | 120.0° | 120.2° |
| C2 | O1 | C1 | 115.3° | 117.0° |
| O4 | C10 | H11 | 109.3° | 109.6° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 112.4° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H12 | 109.5° | 109.5° |
| H14 | C11 | H12 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.4° | 109.4° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.4° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.5° |
| H24 | C17 | H22 | 109.5° | 109.5° |
| H27 | C20 | H26 | 109.5° | 109.0° |
| H28 | C21 | H29 | 109.5° | 109.8° |
| H30 | C22 | H31 | 109.5° | 109.1° |
| H32 | C23 | H33 | 109.4° | 108.1° |
| H37 | C27 | H36 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H42 | C30 | H43 | 109.4° | 109.4° |
| H45 | C31 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H27 | 119.8° | 120.9° |
| C21 | C20 | C19 | H26 | 119.8° | 119.8° |
| C20 | C21 | C22 | H28 | 119.9° | 119.8° |
| C20 | C21 | C22 | H29 | 119.9° | 119.5° |
| C20 | C21 | C22 | C23 | 64.7° | 64.4° |
| C21 | C20 | C19 | N1 | 49.9° | 49.3° |
| C21 | C20 | C19 | C18 | 73.7° | 175.5° |
| C21 | C20 | C19 | H25 | 172.0° | 68.3° |
| C21 | C20 | H27 | H26 | 120.6° | 119.8° |
| C20 | C21 | H28 | H29 | 120.4° | 120.5° |
| C20 | C21 | C22 | H30 | 175.1° | 55.3° |
| C20 | C21 | C22 | H31 | 55.6° | 175.1° |
| C19 | C20 | C21 | C22 | 56.6° | 62.7° |
| C20 | C19 | N1 | C18 | 120.4° | 121.9° |
| C20 | C19 | N1 | H25 | 121.6° | 117.3° |
| C20 | C19 | C18 | H25 | 114.1° | 115.3° |
| C20 | C19 | N1 | C24 | 144.4° | 142.4° |
| C20 | C19 | N1 | C23 | 46.5° | 41.0° |
| C20 | C19 | C18 | O7 | 52.7° | 59.4° |
| C20 | C19 | C18 | O6 | 122.1° | 116.7° |
| C19 | C20 | H27 | H26 | 120.6° | 119.1° |
| C19 | C20 | C21 | H28 | 63.3° | 177.7° |
| C19 | C20 | C21 | H29 | 176.5° | 57.0° |
| C27 | C28 | C29 | H38 | 120.4° | 120.1° |
| C27 | C28 | C29 | H39 | 120.4° | 120.0° |
| C28 | C27 | C26 | H37 | 120.7° | 119.9° |
| C28 | C27 | C26 | H36 | 120.7° | 120.1° |
| C27 | C28 | C29 | C30 | 57.3° | 60.0° |
| C28 | C27 | C26 | C25 | 179.8° | 179.9° |
| C28 | C27 | C26 | C31 | 53.5° | 60.0° |
| C28 | C27 | C26 | H35 | 63.0° | 60.1° |
| C28 | C27 | H37 | H36 | 117.9° | 120.0° |
| C27 | C28 | H38 | H39 | 118.7° | 119.9° |
| C27 | C28 | C29 | H40 | 62.1° | 60.0° |
| C27 | C28 | C29 | H41 | 176.7° | 180.0° |
| C29 | C28 | C27 | C26 | 58.5° | 60.0° |
| C28 | C29 | C30 | H40 | 119.4° | 120.0° |
| C28 | C29 | C30 | H41 | 119.4° | 120.1° |
| C28 | C29 | C30 | C31 | 58.6° | 60.0° |
| C29 | C28 | C27 | H37 | 179.2° | 60.0° |
| C29 | C28 | C27 | H36 | 62.1° | 180.0° |
| C29 | C28 | H38 | H39 | 118.7° | 120.0° |
| C28 | C29 | H40 | H41 | 121.8° | 120.1° |
| C28 | C29 | C30 | H42 | 179.2° | 180.0° |
| C28 | C29 | C30 | H43 | 62.0° | 60.1° |
| C21 | C22 | C23 | H30 | 120.2° | 119.8° |
| C21 | C22 | C23 | H31 | 120.3° | 120.3° |
| C21 | C22 | C23 | N1 | 58.1° | 52.6° |
| C22 | C21 | C20 | H27 | 63.2° | 58.4° |
| C22 | C21 | C20 | H26 | 176.4° | 177.9° |
| C22 | C21 | H28 | H29 | 120.4° | 120.7° |
| C21 | C22 | H30 | H31 | 119.2° | 120.1° |
| C21 | C22 | C23 | H32 | 61.8° | 68.7° |
| C21 | C22 | C23 | H33 | 178.0° | 173.4° |
| C27 | C26 | C25 | C24 | 66.8° | 177.1° |
| C27 | C26 | C25 | C31 | 121.9° | 120.0° |
| C27 | C26 | C25 | H35 | 117.1° | 120.0° |
| C27 | C26 | C31 | H35 | 116.2° | 120.0° |
| C27 | C26 | C31 | C30 | 52.5° | 60.1° |
| C27 | C26 | C25 | C4 | 170.6° | 56.1° |
| C27 | C26 | C25 | H34 | 51.6° | 62.4° |
| C26 | C27 | H37 | H36 | 117.9° | 120.1° |
| C26 | C27 | C28 | H38 | 178.9° | 180.0° |
| C26 | C27 | C28 | H39 | 61.9° | 60.0° |
| C27 | C26 | C31 | H45 | 172.8° | 180.0° |
| C27 | C26 | C31 | H44 | 67.9° | 60.0° |
| C22 | C23 | N1 | C19 | 48.4° | 42.9° |
| C22 | C23 | N1 | C24 | 143.4° | 140.4° |
| C22 | C23 | N1 | H32 | 119.9° | 121.2° |
| C22 | C23 | N1 | H33 | 119.9° | 120.1° |
| C23 | C22 | C21 | H28 | 55.2° | 175.8° |
| C23 | C22 | C21 | H29 | 175.5° | 55.1° |
| C23 | C22 | H30 | H31 | 119.2° | 120.4° |
| C22 | C23 | H32 | H33 | 120.3° | 118.1° |
| C29 | C30 | C31 | C26 | 59.3° | 60.0° |
| C29 | C30 | C31 | H42 | 120.6° | 120.0° |
| C29 | C30 | C31 | H43 | 120.6° | 120.0° |
| C30 | C29 | C28 | H38 | 177.7° | 180.0° |
| C30 | C29 | C28 | H39 | 63.1° | 60.0° |
| C30 | C29 | H40 | H41 | 121.7° | 120.0° |
| C29 | C30 | H42 | H43 | 118.2° | 119.9° |
| C29 | C30 | C31 | H45 | 179.6° | 180.0° |
| C29 | C30 | C31 | H44 | 61.0° | 60.0° |
| N1 | C19 | C18 | H25 | 118.4° | 120.3° |
| C19 | N1 | C24 | C23 | 167.7° | 176.7° |
| C19 | N1 | C24 | O8 | 3.5° | 17.3° |
| C19 | N1 | C24 | C25 | 176.4° | 162.6° |
| N1 | C19 | C18 | O7 | 179.9° | 65.0° |
| N1 | C19 | C18 | O6 | 5.4° | 118.8° |
| N1 | C19 | C20 | H27 | 69.9° | 71.6° |
| N1 | C19 | C20 | H26 | 169.7° | 169.1° |
| C19 | N1 | C23 | H32 | 71.5° | 78.3° |
| C19 | N1 | C23 | H33 | 168.3° | 163.0° |
| C18 | C19 | N1 | C24 | 95.2° | 20.5° |
| C18 | C19 | N1 | C23 | 73.8° | 162.9° |
| C19 | C18 | O7 | O6 | 174.3° | 176.3° |
| C19 | C18 | O6 | C16 | 174.7° | 138.0° |
| C18 | C19 | C20 | H27 | 166.5° | 54.6° |
| C18 | C19 | C20 | H26 | 46.1° | 64.6° |
| N1 | C24 | O8 | C25 | 172.9° | 179.8° |
| N1 | C24 | C25 | C26 | 155.1° | 66.6° |
| N1 | C24 | C25 | C4 | 80.1° | 174.4° |
| C24 | N1 | C19 | H25 | 22.8° | 100.4° |
| C24 | N1 | C23 | H32 | 96.7° | 98.4° |
| C24 | N1 | C23 | H33 | 23.5° | 20.3° |
| N1 | C24 | C25 | H34 | 36.9° | 53.5° |
| C23 | N1 | C24 | O8 | 164.2° | 166.0° |
| C23 | N1 | C24 | C25 | 8.7° | 14.1° |
| C23 | N1 | C19 | H25 | 168.2° | 76.3° |
| N1 | C23 | C22 | H30 | 178.4° | 67.2° |
| N1 | C23 | C22 | H31 | 62.1° | 172.9° |
| N1 | C23 | H32 | H33 | 120.3° | 119.7° |
| O8 | C24 | C25 | C26 | 31.8° | 113.2° |
| O8 | C24 | C25 | C4 | 93.0° | 5.7° |
| O8 | C24 | C25 | H34 | 150.0° | 126.7° |
| C24 | C25 | C26 | C4 | 122.5° | 121.0° |
| C24 | C25 | C26 | H34 | 118.4° | 120.5° |
| C24 | C25 | C26 | C31 | 171.2° | 57.1° |
| C24 | C25 | C4 | H34 | 116.9° | 121.5° |
| C24 | C25 | C4 | C5 | 122.8° | 55.2° |
| C24 | C25 | C4 | C3 | 61.3° | 126.2° |
| C24 | C25 | C26 | H35 | 50.3° | 62.9° |
| O7 | C18 | O6 | C16 | 10.5° | 38.1° |
| O7 | C18 | C19 | H25 | 61.5° | 174.7° |
| C25 | C26 | C31 | H35 | 120.7° | 120.0° |
| C25 | C26 | C31 | C30 | 175.6° | 180.0° |
| C26 | C25 | C4 | H34 | 118.9° | 118.8° |
| C26 | C25 | C4 | C5 | 113.0° | 64.5° |
| C26 | C25 | C4 | C3 | 62.9° | 114.1° |
| C25 | C26 | C27 | H37 | 59.5° | 60.0° |
| C25 | C26 | C27 | H36 | 59.2° | 60.0° |
| C25 | C26 | C31 | H45 | 64.1° | 60.1° |
| C25 | C26 | C31 | H44 | 55.3° | 59.9° |
| C26 | C31 | C30 | H45 | 120.3° | 119.9° |
| C26 | C31 | C30 | H44 | 120.3° | 120.1° |
| C31 | C26 | C25 | C4 | 48.7° | 63.9° |
| C31 | C26 | C25 | H34 | 70.4° | 177.6° |
| C31 | C26 | C27 | H37 | 174.1° | 60.0° |
| C31 | C26 | C27 | H36 | 67.2° | 180.0° |
| C26 | C31 | C30 | H42 | 179.9° | 180.0° |
| C26 | C31 | C30 | H43 | 61.3° | 60.0° |
| C26 | C31 | H45 | H44 | 119.0° | 120.0° |
| C18 | O6 | C16 | C15 | 110.5° | 100.7° |
| C18 | O6 | C16 | C17 | 127.1° | 137.3° |
| C18 | O6 | C16 | H21 | 7.4° | 20.6° |
| O6 | C18 | C19 | H25 | 123.8° | 1.5° |
| C30 | C31 | C26 | H35 | 63.7° | 60.0° |
| C31 | C30 | C29 | H40 | 60.8° | 60.0° |
| C31 | C30 | C29 | H41 | 178.0° | 180.0° |
| C31 | C30 | H42 | H43 | 118.2° | 120.1° |
| C30 | C31 | H45 | H44 | 119.0° | 120.1° |
| C25 | C4 | C5 | C3 | 175.8° | 178.6° |
| C25 | C4 | C5 | C6 | 178.8° | 177.9° |
| C25 | C4 | C3 | C2 | 179.3° | 178.0° |
| C25 | C4 | C5 | H5 | 1.2° | 1.8° |
| C25 | C4 | C3 | H4 | 0.7° | 1.5° |
| C4 | C25 | C26 | H35 | 72.2° | 176.1° |
| O6 | C16 | C15 | O5 | 54.1° | 88.9° |
| O6 | C16 | C15 | C17 | 122.1° | 122.0° |
| O6 | C16 | C15 | H21 | 118.1° | 121.3° |
| O6 | C16 | C17 | H21 | 120.0° | 117.1° |
| O6 | C16 | C15 | C14 | 68.8° | 32.7° |
| O6 | C16 | C15 | H19 | 172.9° | 152.7° |
| O6 | C16 | C17 | H23 | 180.0° | 65.7° |
| O6 | C16 | C17 | H24 | 60.0° | 54.3° |
| O6 | C16 | C17 | H22 | 60.0° | 174.2° |
| O5 | C15 | C16 | C14 | 122.8° | 121.6° |
| O5 | C15 | C16 | H19 | 118.8° | 118.3° |
| O5 | C15 | C16 | C17 | 176.2° | 149.1° |
| O5 | C15 | C14 | H19 | 116.5° | 118.1° |
| O5 | C15 | C14 | C13 | 15.6° | 68.8° |
| O5 | C15 | C14 | H18 | 164.3° | 110.6° |
| O5 | C15 | C16 | H21 | 64.0° | 32.4° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 4.9° | 0.6° |
| C4 | C5 | C6 | O3 | 176.2° | 179.5° |
| C4 | C5 | C6 | C7 | 3.1° | 0.2° |
| C5 | C4 | C3 | H4 | 175.2° | 179.9° |
| C5 | C4 | C25 | H34 | 5.9° | 176.7° |
| C3 | C4 | C5 | C6 | 3.0° | 0.7° |
| C4 | C3 | C2 | H4 | 180.0° | 179.5° |
| C4 | C3 | C2 | C7 | 6.9° | 0.0° |
| C4 | C3 | C2 | O1 | 175.9° | 179.8° |
| C3 | C4 | C5 | H5 | 177.0° | 179.7° |
| C3 | C4 | C25 | H34 | 178.2° | 4.7° |
| C5 | C6 | O3 | C7 | 173.5° | 179.7° |
| C5 | C6 | O3 | C9 | 33.3° | 104.8° |
| C5 | C6 | C7 | C2 | 5.3° | 0.4° |
| C5 | C6 | C7 | O2 | 177.5° | 179.4° |
| C15 | C16 | C17 | H21 | 119.9° | 117.1° |
| C16 | C15 | C14 | H19 | 118.2° | 120.1° |
| C16 | C15 | C14 | C13 | 109.6° | 169.4° |
| C16 | C15 | C14 | H18 | 70.4° | 11.2° |
| C16 | C15 | O5 | H20 | 180.0° | 176.5° |
| C15 | C16 | C17 | H23 | 59.8° | 60.1° |
| C15 | C16 | C17 | H24 | 60.2° | 180.0° |
| C15 | C16 | C17 | H22 | 179.8° | 60.0° |
| C17 | C16 | C15 | C14 | 53.3° | 89.3° |
| C17 | C16 | C15 | H19 | 65.0° | 30.7° |
| C16 | C17 | H23 | H24 | 120.0° | 119.9° |
| C16 | C17 | H23 | H22 | 120.0° | 120.0° |
| C16 | C17 | H24 | H22 | 120.0° | 120.0° |
| C3 | C2 | C7 | C6 | 7.1° | 0.5° |
| C3 | C2 | C7 | O1 | 170.2° | 179.8° |
| C3 | C2 | O1 | C1 | 10.5° | 0.0° |
| C3 | C2 | C7 | O2 | 175.7° | 179.3° |
| C15 | C14 | C13 | C12 | 176.0° | 179.1° |
| C15 | C14 | C13 | H18 | 180.0° | 179.4° |
| C15 | C14 | C13 | H17 | 4.0° | 1.0° |
| C14 | C15 | O5 | H20 | 54.4° | 60.1° |
| C14 | C15 | C16 | H21 | 173.2° | 154.0° |
| C12 | C13 | C14 | H17 | 180.0° | 179.9° |
| C13 | C12 | O4 | H16 | 120.3° | 120.2° |
| C13 | C12 | O4 | H15 | 120.3° | 119.7° |
| C13 | C12 | O4 | C10 | 171.3° | 157.8° |
| C12 | C13 | C14 | H18 | 4.0° | 0.4° |
| C13 | C12 | H16 | H15 | 119.1° | 120.0° |
| C14 | C13 | C12 | O4 | 34.1° | 94.0° |
| C14 | C13 | C12 | H16 | 86.3° | 26.3° |
| C14 | C13 | C12 | H15 | 154.4° | 146.3° |
| C13 | C14 | C15 | H19 | 132.1° | 49.3° |
| C12 | O4 | C10 | C9 | 117.6° | 148.1° |
| C12 | O4 | C10 | C11 | 3.9° | 92.0° |
| C12 | O4 | C10 | H11 | 127.0° | 28.1° |
| O4 | C12 | H16 | H15 | 119.1° | 120.0° |
| O4 | C12 | C13 | H17 | 145.9° | 86.1° |
| C6 | O3 | C9 | C10 | 108.0° | 140.9° |
| O3 | C6 | C7 | C2 | 179.4° | 179.9° |
| O3 | C6 | C7 | O2 | 3.4° | 0.3° |
| O3 | C6 | C5 | H5 | 3.8° | 0.2° |
| C6 | O3 | C9 | H10 | 132.2° | 99.1° |
| C6 | O3 | C9 | H9 | 11.9° | 20.7° |
| C7 | C6 | O3 | C9 | 153.2° | 75.5° |
| C6 | C7 | C2 | O2 | 177.2° | 179.8° |
| C6 | C7 | C2 | O1 | 177.4° | 179.7° |
| C6 | C7 | O2 | C8 | 77.2° | 90.0° |
| C7 | C6 | C5 | H5 | 176.9° | 179.9° |
| C10 | C9 | O3 | H10 | 119.8° | 120.0° |
| C10 | C9 | O3 | H9 | 119.9° | 120.2° |
| C9 | C10 | C11 | O4 | 117.3° | 120.0° |
| C9 | C10 | C11 | H11 | 119.2° | 119.8° |
| C9 | C10 | O4 | H11 | 115.4° | 120.0° |
| C9 | C10 | C11 | H13 | 180.0° | 60.0° |
| C9 | C10 | C11 | H14 | 60.0° | 180.0° |
| C9 | C10 | C11 | H12 | 60.0° | 60.0° |
| C10 | C9 | H10 | H9 | 120.4° | 120.1° |
| O3 | C9 | C10 | C11 | 173.0° | 116.4° |
| O3 | C9 | C10 | O4 | 62.1° | 123.5° |
| O3 | C9 | H10 | H9 | 120.5° | 119.8° |
| O3 | C9 | C10 | H11 | 53.8° | 3.4° |
| C11 | C10 | O4 | H11 | 123.1° | 120.1° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H12 | 120.0° | 120.0° |
| C10 | C11 | H14 | H12 | 120.0° | 120.0° |
| C11 | C10 | C9 | H10 | 53.2° | 3.5° |
| C11 | C10 | C9 | H9 | 67.1° | 123.4° |
| C7 | C2 | O1 | C1 | 179.9° | 179.8° |
| C2 | C7 | O2 | C8 | 100.1° | 90.2° |
| C7 | C2 | C3 | H4 | 173.2° | 179.5° |
| O1 | C2 | C7 | O2 | 5.5° | 0.5° |
| O1 | C2 | C3 | H4 | 4.1° | 0.3° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O4 | C10 | C11 | H13 | 62.7° | 180.0° |
| O4 | C10 | C11 | H14 | 57.3° | 60.0° |
| O4 | C10 | C11 | H12 | 177.3° | 60.0° |
| O4 | C10 | C9 | H10 | 178.0° | 116.5° |
| O4 | C10 | C9 | H9 | 57.7° | 3.4° |
| C10 | O4 | C12 | H16 | 68.4° | 37.5° |
| C10 | O4 | C12 | H15 | 51.0° | 82.5° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.1° |
| C7 | O2 | C8 | H7 | 180.0° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 180.0° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H18 | C14 | C13 | H17 | 176.0° | 179.6° |
| H18 | C14 | C15 | H19 | 47.9° | 131.3° |
| H13 | C11 | H14 | H12 | 120.0° | 120.0° |
| H13 | C11 | C10 | H11 | 60.8° | 59.8° |
| H14 | C11 | C10 | H11 | 179.2° | 60.2° |
| H12 | C11 | C10 | H11 | 59.2° | 179.8° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H11 | 66.0° | 123.4° |
| H9 | C9 | C10 | H11 | 173.7° | 116.7° |
| H16 | C12 | C13 | H17 | 93.7° | 153.7° |
| H15 | C12 | C13 | H17 | 25.6° | 33.6° |
| H2 | C1 | H3 | H1 | 120.0° | 119.9° |
| H19 | C15 | O5 | H20 | 61.7° | 58.1° |
| H19 | C15 | C16 | H21 | 54.8° | 86.0° |
| H21 | C16 | C17 | H23 | 60.0° | 177.2° |
| H21 | C16 | C17 | H24 | 180.0° | 62.9° |
| H21 | C16 | C17 | H22 | 60.0° | 57.1° |
| H23 | C17 | H24 | H22 | 120.0° | 120.1° |
| H25 | C19 | C20 | H27 | 52.2° | 170.8° |
| H25 | C19 | C20 | H26 | 68.2° | 51.5° |
| H27 | C20 | C21 | H28 | 176.9° | 61.3° |
| H27 | C20 | C21 | H29 | 56.7° | 178.1° |
| H26 | C20 | C21 | H28 | 56.5° | 58.3° |
| H26 | C20 | C21 | H29 | 63.7° | 62.4° |
| H28 | C21 | C22 | H30 | 65.1° | 64.5° |
| H28 | C21 | C22 | H31 | 175.5° | 55.3° |
| H29 | C21 | C22 | H30 | 55.2° | 174.9° |
| H29 | C21 | C22 | H31 | 64.3° | 65.4° |
| H30 | C22 | C23 | H32 | 58.5° | 171.5° |
| H30 | C22 | C23 | H33 | 61.7° | 53.6° |
| H31 | C22 | C23 | H32 | 178.0° | 51.6° |
| H31 | C22 | C23 | H33 | 57.8° | 66.2° |
| H34 | C25 | C26 | H35 | 168.7° | 57.6° |
| H35 | C26 | C27 | H37 | 57.6° | 180.0° |
| H35 | C26 | C27 | H36 | 176.3° | 60.0° |
| H35 | C26 | C31 | H45 | 56.6° | 60.0° |
| H35 | C26 | C31 | H44 | 175.9° | 179.9° |
| H37 | C27 | C28 | H38 | 60.4° | 60.1° |
| H37 | C27 | C28 | H39 | 58.8° | 180.0° |
| H36 | C27 | C28 | H38 | 58.2° | 59.9° |
| H36 | C27 | C28 | H39 | 177.4° | 60.0° |
| H38 | C28 | C29 | H40 | 58.3° | 60.0° |
| H38 | C28 | C29 | H41 | 62.9° | 60.0° |
| H39 | C28 | C29 | H40 | 177.5° | 180.0° |
| H39 | C28 | C29 | H41 | 56.3° | 60.0° |
| H40 | C29 | C30 | H42 | 59.8° | 60.0° |
| H40 | C29 | C30 | H43 | 178.6° | 179.9° |
| H41 | C29 | C30 | H42 | 61.4° | 60.0° |
| H41 | C29 | C30 | H43 | 57.4° | 60.0° |
| H42 | C30 | C31 | H45 | 59.8° | 60.1° |
| H42 | C30 | C31 | H44 | 59.6° | 59.9° |
| H43 | C30 | C31 | H45 | 59.0° | 59.9° |
| H43 | C30 | C31 | H44 | 178.4° | 180.0° |
