A1IN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.52Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C19 | N1 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N1 | C23 | sing | 1.47Å | 1.51Å | |
| N1 | C24 | sing | 1.35Å | 1.34Å | |
| O7 | C24 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| O6 | C18 | doub | 1.21Å | 1.17Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | C31 | sing | 1.53Å | 1.54Å | |
| C18 | O5 | sing | 1.34Å | 1.31Å | |
| C25 | C4 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| O5 | C16 | sing | 1.45Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.31Å | 1.34Å | |
| O4 | C11 | sing | 1.43Å | 1.41Å | |
| O4 | C12 | sing | 1.43Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | 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 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | 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 | H21 | sing | 1.09Å | 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 | 1.09Å | 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 | 110.4° | 109.1° |
| C20 | C21 | C22 | 106.3° | 112.1° |
| C21 | C20 | H27 | 109.2° | 109.5° |
| C21 | C20 | H26 | 109.2° | 109.5° |
| C20 | C21 | H28 | 110.2° | 108.9° |
| C20 | C21 | H29 | 110.3° | 108.9° |
| C20 | C19 | N1 | 110.6° | 108.9° |
| C20 | C19 | C18 | 106.2° | 109.1° |
| C20 | C19 | H25 | 109.5° | 109.3° |
| C19 | C20 | H27 | 109.3° | 109.6° |
| C19 | C20 | H26 | 109.2° | 109.5° |
| C27 | C28 | C29 | 110.1° | 109.5° |
| C28 | C27 | C26 | 112.7° | 109.4° |
| C28 | C27 | H37 | 108.6° | 109.5° |
| C28 | C27 | H36 | 108.7° | 109.5° |
| C27 | C28 | H38 | 109.3° | 109.5° |
| C27 | C28 | H39 | 109.3° | 109.5° |
| C28 | C29 | C30 | 111.5° | 109.5° |
| C29 | C28 | H38 | 109.3° | 109.5° |
| C29 | C28 | H39 | 109.3° | 109.5° |
| C28 | C29 | H40 | 108.9° | 109.5° |
| C28 | C29 | H41 | 108.9° | 109.4° |
| C21 | C22 | C23 | 110.4° | 112.6° |
| C22 | C21 | H28 | 110.3° | 108.9° |
| C22 | C21 | H29 | 110.3° | 109.0° |
| C21 | C22 | H30 | 109.2° | 108.8° |
| C21 | C22 | H31 | 109.3° | 108.9° |
| C27 | C26 | C25 | 111.1° | 109.5° |
| C27 | C26 | C31 | 111.0° | 109.5° |
| C27 | C26 | H35 | 107.9° | 109.5° |
| C26 | C27 | H37 | 108.7° | 109.5° |
| C26 | C27 | H36 | 108.7° | 109.5° |
| C22 | C23 | N1 | 114.1° | 110.2° |
| C23 | C22 | H30 | 109.3° | 108.8° |
| C23 | C22 | H31 | 109.3° | 108.8° |
| C22 | C23 | H32 | 108.3° | 109.3° |
| C22 | C23 | H33 | 108.3° | 109.4° |
| N1 | C19 | C18 | 110.7° | 109.7° |
| C19 | N1 | C23 | 118.3° | 119.5° |
| C19 | N1 | C24 | 120.8° | 120.8° |
| N1 | C19 | H25 | 110.3° | 109.8° |
| C19 | C18 | O6 | 125.1° | 120.0° |
| C19 | C18 | O5 | 113.9° | 120.0° |
| C18 | C19 | H25 | 109.5° | 110.0° |
| C29 | C30 | C31 | 110.9° | 109.5° |
| C30 | C29 | H40 | 109.0° | 109.5° |
| C30 | C29 | H41 | 109.0° | 109.5° |
| C29 | C30 | H42 | 109.1° | 109.5° |
| C29 | C30 | H43 | 109.1° | 109.5° |
| C23 | N1 | C24 | 120.3° | 119.8° |
| N1 | C23 | H32 | 108.3° | 109.3° |
| N1 | C23 | H33 | 108.3° | 109.4° |
| N1 | C24 | O7 | 120.4° | 120.4° |
| N1 | C24 | C25 | 121.7° | 119.2° |
| O7 | C24 | C25 | 117.8° | 120.4° |
| C24 | C25 | C26 | 109.4° | 109.3° |
| C24 | C25 | C4 | 109.8° | 110.4° |
| C24 | C25 | H34 | 109.9° | 109.3° |
| O6 | C18 | O5 | 120.7° | 120.0° |
| C25 | C26 | C31 | 111.3° | 109.4° |
| C26 | C25 | C4 | 109.0° | 109.4° |
| C26 | C25 | H34 | 109.1° | 109.2° |
| C25 | C26 | H35 | 107.6° | 109.4° |
| C26 | C31 | C30 | 112.4° | 109.4° |
| C31 | C26 | H35 | 107.8° | 109.5° |
| C26 | C31 | H45 | 108.7° | 109.5° |
| C26 | C31 | H44 | 108.7° | 109.5° |
| C18 | O5 | C16 | 117.4° | 117.0° |
| C25 | C4 | C5 | 119.2° | 120.5° |
| C25 | C4 | C3 | 122.4° | 119.3° |
| C4 | C25 | H34 | 109.5° | 109.3° |
| C31 | C30 | H42 | 109.1° | 109.5° |
| C31 | C30 | H43 | 109.1° | 109.5° |
| C30 | C31 | H45 | 108.7° | 109.5° |
| C30 | C31 | H44 | 108.7° | 109.4° |
| O5 | C16 | C15 | 110.5° | 109.6° |
| O5 | C16 | C17 | 102.7° | 109.4° |
| O5 | C16 | H21 | 110.0° | 109.4° |
| C5 | C4 | C3 | 118.3° | 120.1° |
| C4 | C5 | C6 | 120.9° | 120.1° |
| C4 | C5 | H5 | 119.6° | 119.9° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | H4 | 119.8° | 119.9° |
| C15 | C16 | C17 | 115.1° | 109.5° |
| C16 | C15 | C14 | 117.7° | 109.3° |
| C16 | C15 | H20 | 107.4° | 109.5° |
| C16 | C15 | H19 | 107.4° | 109.6° |
| C15 | C16 | H21 | 109.2° | 109.4° |
| C17 | C16 | H21 | 109.1° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H24 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.4° | 109.5° |
| C15 | C14 | C13 | 127.9° | 120.1° |
| C15 | C14 | H18 | 116.0° | 119.9° |
| C14 | C15 | H20 | 107.4° | 109.5° |
| C14 | C15 | H19 | 107.4° | 109.5° |
| C5 | C6 | O3 | 123.6° | 120.5° |
| C5 | C6 | C7 | 121.0° | 119.9° |
| C6 | C5 | H5 | 119.5° | 120.0° |
| C3 | C2 | C7 | 121.0° | 119.9° |
| C3 | C2 | O1 | 125.5° | 120.1° |
| C2 | C3 | H4 | 119.8° | 120.0° |
| C14 | C13 | C12 | 125.6° | 119.8° |
| C13 | C14 | H18 | 116.1° | 120.0° |
| C14 | C13 | H17 | 117.2° | 120.2° |
| C11 | O4 | C12 | 108.8° | 114.1° |
| O4 | C11 | C10 | 110.2° | 109.5° |
| O4 | C11 | H14 | 109.3° | 109.5° |
| O4 | C11 | H13 | 109.3° | 109.5° |
| O4 | C12 | C13 | 113.8° | 109.2° |
| O4 | C12 | H15 | 108.4° | 109.5° |
| O4 | C12 | H16 | 108.4° | 109.5° |
| C11 | C10 | C9 | 112.0° | 109.6° |
| C10 | C11 | H14 | 109.3° | 109.4° |
| C10 | C11 | H13 | 109.3° | 109.5° |
| C11 | C10 | H12 | 108.8° | 109.5° |
| C11 | C10 | H11 | 108.8° | 109.4° |
| O3 | C9 | C10 | 102.9° | 109.3° |
| C9 | O3 | C6 | 116.2° | 117.6° |
| O3 | C9 | H9 | 111.1° | 109.5° |
| O3 | C9 | H10 | 111.1° | 109.5° |
| C10 | C9 | H9 | 111.1° | 109.5° |
| C10 | C9 | H10 | 111.1° | 109.5° |
| C9 | C10 | H12 | 108.8° | 109.5° |
| C9 | C10 | H11 | 108.8° | 109.4° |
| O3 | C6 | C7 | 115.3° | 119.6° |
| C6 | C7 | C2 | 118.3° | 119.9° |
| C6 | C7 | O2 | 120.5° | 120.1° |
| C13 | C12 | H15 | 108.4° | 109.5° |
| C13 | C12 | H16 | 108.4° | 109.6° |
| C12 | C13 | H17 | 117.2° | 120.0° |
| C7 | C2 | O1 | 113.5° | 120.0° |
| C2 | C7 | O2 | 121.2° | 120.1° |
| C2 | O1 | C1 | 117.5° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 119.8° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.4° |
| O2 | C8 | H6 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H12 | C10 | H11 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.4° |
| H24 | C17 | H22 | 109.5° | 109.4° |
| H27 | C20 | H26 | 109.5° | 109.6° |
| H28 | C21 | H29 | 109.5° | 108.9° |
| H30 | C22 | H31 | 109.4° | 108.8° |
| H32 | C23 | H33 | 109.5° | 109.3° |
| H37 | C27 | H36 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H42 | C30 | H43 | 109.5° | 109.5° |
| 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 | 120.1° | 119.9° |
| C21 | C20 | C19 | H26 | 120.1° | 119.8° |
| C20 | C21 | C22 | H28 | 119.5° | 120.6° |
| C20 | C21 | C22 | H29 | 119.5° | 120.7° |
| C20 | C21 | C22 | C23 | 61.1° | 10.6° |
| C21 | C20 | C19 | N1 | 57.4° | 52.5° |
| C21 | C20 | C19 | C18 | 62.8° | 172.1° |
| C21 | C20 | C19 | H25 | 179.1° | 67.5° |
| C21 | C20 | H27 | H26 | 119.6° | 120.2° |
| C20 | C21 | H28 | H29 | 121.5° | 118.7° |
| C20 | C21 | C22 | H30 | 178.7° | 110.1° |
| C20 | C21 | C22 | H31 | 59.0° | 131.4° |
| C19 | C20 | C21 | C22 | 67.8° | 60.1° |
| C20 | C19 | N1 | C18 | 117.4° | 119.3° |
| C20 | C19 | N1 | H25 | 121.3° | 119.7° |
| C20 | C19 | C18 | H25 | 118.1° | 119.9° |
| C20 | C19 | N1 | C23 | 41.5° | 3.1° |
| C20 | C19 | N1 | C24 | 148.1° | 177.0° |
| C20 | C19 | C18 | O6 | 55.2° | 101.3° |
| C20 | C19 | C18 | O5 | 118.6° | 78.7° |
| C19 | C20 | H27 | H26 | 119.6° | 120.2° |
| C19 | C20 | C21 | H28 | 51.7° | 179.3° |
| C19 | C20 | C21 | H29 | 172.7° | 60.6° |
| C27 | C28 | C29 | H38 | 120.1° | 120.0° |
| C27 | C28 | C29 | H39 | 120.1° | 120.0° |
| C28 | C27 | C26 | H37 | 120.5° | 120.0° |
| C28 | C27 | C26 | H36 | 120.5° | 120.0° |
| C27 | C28 | C29 | C30 | 57.8° | 60.0° |
| C28 | C27 | C26 | C25 | 176.4° | 180.0° |
| C28 | C27 | C26 | C31 | 52.0° | 60.0° |
| C28 | C27 | C26 | H35 | 65.9° | 60.0° |
| C28 | C27 | H37 | H36 | 118.5° | 120.0° |
| C27 | C28 | H38 | H39 | 119.7° | 120.0° |
| C27 | C28 | C29 | H40 | 62.6° | 60.0° |
| C27 | C28 | C29 | H41 | 178.1° | 179.9° |
| C29 | C28 | C27 | C26 | 55.4° | 60.0° |
| C28 | C29 | C30 | H40 | 120.3° | 120.0° |
| C28 | C29 | C30 | H41 | 120.3° | 120.0° |
| C28 | C29 | C30 | C31 | 57.7° | 60.0° |
| C29 | C28 | C27 | H37 | 175.9° | 60.0° |
| C29 | C28 | C27 | H36 | 65.1° | 180.0° |
| C29 | C28 | H38 | H39 | 119.7° | 120.0° |
| C28 | C29 | H40 | H41 | 119.0° | 120.0° |
| C28 | C29 | C30 | H42 | 177.9° | 180.0° |
| C28 | C29 | C30 | H43 | 62.5° | 60.0° |
| C21 | C22 | C23 | H30 | 120.1° | 120.8° |
| C21 | C22 | C23 | H31 | 120.2° | 120.8° |
| C21 | C22 | C23 | N1 | 46.2° | 42.8° |
| C22 | C21 | C20 | H27 | 52.4° | 59.8° |
| C22 | C21 | C20 | H26 | 172.1° | 179.9° |
| C22 | C21 | H28 | H29 | 121.5° | 118.7° |
| C21 | C22 | H30 | H31 | 119.6° | 118.5° |
| C21 | C22 | C23 | H32 | 74.5° | 163.0° |
| C21 | C22 | C23 | H33 | 166.9° | 77.4° |
| C27 | C26 | C25 | C24 | 64.6° | 155.8° |
| C27 | C26 | C25 | C31 | 124.2° | 120.0° |
| C27 | C26 | C25 | H35 | 117.9° | 120.0° |
| C27 | C26 | C31 | H35 | 117.9° | 120.1° |
| C27 | C26 | C25 | C4 | 175.3° | 34.9° |
| C27 | C26 | C31 | C30 | 51.3° | 60.0° |
| C27 | C26 | C25 | H34 | 55.7° | 84.6° |
| C26 | C27 | H37 | H36 | 118.5° | 120.0° |
| C26 | C27 | C28 | H38 | 175.5° | 180.0° |
| C26 | C27 | C28 | H39 | 64.7° | 60.0° |
| C27 | C26 | C31 | H45 | 171.8° | 180.0° |
| C27 | C26 | C31 | H44 | 69.1° | 59.9° |
| C22 | C23 | N1 | C19 | 37.2° | 52.3° |
| C22 | C23 | N1 | H32 | 120.7° | 120.2° |
| C22 | C23 | N1 | H33 | 120.7° | 120.2° |
| C22 | C23 | N1 | C24 | 152.3° | 127.8° |
| C23 | C22 | C21 | H28 | 58.3° | 131.3° |
| C23 | C22 | C21 | H29 | 179.4° | 110.0° |
| C23 | C22 | H30 | H31 | 119.6° | 118.4° |
| C22 | C23 | H32 | H33 | 117.9° | 119.6° |
| N1 | C19 | C18 | H25 | 121.8° | 120.9° |
| C19 | N1 | C23 | C24 | 170.4° | 179.9° |
| C19 | N1 | C24 | O7 | 1.3° | 0.6° |
| C19 | N1 | C24 | C25 | 173.8° | 179.4° |
| N1 | C19 | C18 | O6 | 175.3° | 17.9° |
| N1 | C19 | C18 | O5 | 1.5° | 162.1° |
| N1 | C19 | C20 | H27 | 62.8° | 67.5° |
| N1 | C19 | C20 | H26 | 177.5° | 172.3° |
| C19 | N1 | C23 | H32 | 83.5° | 172.5° |
| C19 | N1 | C23 | H33 | 157.9° | 67.9° |
| C18 | C19 | N1 | C23 | 75.8° | 116.2° |
| C18 | C19 | N1 | C24 | 94.5° | 63.7° |
| C19 | C18 | O6 | O5 | 173.4° | 180.0° |
| C19 | C18 | O5 | C16 | 177.2° | 177.9° |
| C18 | C19 | C20 | H27 | 177.1° | 52.2° |
| C18 | C19 | C20 | H26 | 57.4° | 68.0° |
| C29 | C30 | C31 | C26 | 54.2° | 60.0° |
| C29 | C30 | C31 | H42 | 120.2° | 120.0° |
| C29 | C30 | C31 | H43 | 120.2° | 120.0° |
| C30 | C29 | C28 | H38 | 177.9° | 180.0° |
| C30 | C29 | C28 | H39 | 62.4° | 60.0° |
| C30 | C29 | H40 | H41 | 119.1° | 120.0° |
| C29 | C30 | H42 | H43 | 119.4° | 120.0° |
| C29 | C30 | C31 | H45 | 174.6° | 180.0° |
| C29 | C30 | C31 | H44 | 66.3° | 60.0° |
| C23 | N1 | C24 | O7 | 171.5° | 179.5° |
| C23 | N1 | C24 | C25 | 3.6° | 0.5° |
| C23 | N1 | C19 | H25 | 162.8° | 122.8° |
| N1 | C23 | C22 | H30 | 166.3° | 163.6° |
| N1 | C23 | C22 | H31 | 74.0° | 78.0° |
| N1 | C23 | H32 | H33 | 117.9° | 119.7° |
| N1 | C24 | O7 | C25 | 175.3° | 180.0° |
| N1 | C24 | C25 | C26 | 154.2° | 58.1° |
| N1 | C24 | C25 | C4 | 86.2° | 178.4° |
| C24 | N1 | C19 | H25 | 26.8° | 57.3° |
| C24 | N1 | C23 | H32 | 87.0° | 7.6° |
| C24 | N1 | C23 | H33 | 31.6° | 112.0° |
| N1 | C24 | C25 | H34 | 34.4° | 61.3° |
| O7 | C24 | C25 | C26 | 30.6° | 121.9° |
| O7 | C24 | C25 | C4 | 89.0° | 1.6° |
| O7 | C24 | C25 | H34 | 150.4° | 118.6° |
| C24 | C25 | C26 | C4 | 120.1° | 120.9° |
| C24 | C25 | C26 | H34 | 120.3° | 119.5° |
| C24 | C25 | C26 | C31 | 171.2° | 35.8° |
| C24 | C25 | C4 | H34 | 120.8° | 120.2° |
| C24 | C25 | C4 | C5 | 128.2° | 16.3° |
| C24 | C25 | C4 | C3 | 55.0° | 164.0° |
| C24 | C25 | C26 | H35 | 53.3° | 84.2° |
| O6 | C18 | O5 | C16 | 3.0° | 2.1° |
| O6 | C18 | C19 | H25 | 62.9° | 138.7° |
| C25 | C26 | C31 | H35 | 117.8° | 119.9° |
| C26 | C25 | C4 | H34 | 119.3° | 119.5° |
| C25 | C26 | C31 | C30 | 175.6° | 180.0° |
| C26 | C25 | C4 | C5 | 111.9° | 136.6° |
| C26 | C25 | C4 | C3 | 64.9° | 43.7° |
| C25 | C26 | C27 | H37 | 63.1° | 60.0° |
| C25 | C26 | C27 | H36 | 55.9° | 60.0° |
| C25 | C26 | C31 | H45 | 64.0° | 60.0° |
| C25 | C26 | C31 | H44 | 55.1° | 60.1° |
| C31 | C26 | C25 | C4 | 51.0° | 85.1° |
| C26 | C31 | C30 | H45 | 120.4° | 120.0° |
| C26 | C31 | C30 | H44 | 120.4° | 120.0° |
| C31 | C26 | C25 | H34 | 68.5° | 155.3° |
| C31 | C26 | C27 | H37 | 172.5° | 60.0° |
| C31 | C26 | C27 | H36 | 68.5° | 180.0° |
| C26 | C31 | C30 | H42 | 174.4° | 180.0° |
| C26 | C31 | C30 | H43 | 66.1° | 60.0° |
| C26 | C31 | H45 | H44 | 118.6° | 120.1° |
| C18 | O5 | C16 | C15 | 87.4° | 141.5° |
| C18 | O5 | C16 | C17 | 149.3° | 98.4° |
| C18 | O5 | C16 | H21 | 33.2° | 21.6° |
| O5 | C18 | C19 | H25 | 123.2° | 41.3° |
| C25 | C4 | C5 | C3 | 177.0° | 179.8° |
| C25 | C4 | C5 | C6 | 178.6° | 179.6° |
| C25 | C4 | C3 | C2 | 179.6° | 179.5° |
| C25 | C4 | C5 | H5 | 1.4° | 0.4° |
| C25 | C4 | C3 | H4 | 0.3° | 0.4° |
| C4 | C25 | C26 | H35 | 66.8° | 154.9° |
| C30 | C31 | C26 | H35 | 66.6° | 60.1° |
| C31 | C30 | C29 | H40 | 62.6° | 60.0° |
| C31 | C30 | C29 | H41 | 178.0° | 180.0° |
| C31 | C30 | H42 | H43 | 119.3° | 120.0° |
| C30 | C31 | H45 | H44 | 118.7° | 120.0° |
| O5 | C16 | C15 | C17 | 115.8° | 120.0° |
| O5 | C16 | C15 | H21 | 121.1° | 120.0° |
| O5 | C16 | C17 | H21 | 116.7° | 120.0° |
| O5 | C16 | C15 | C14 | 67.0° | 117.7° |
| O5 | C16 | C15 | H20 | 171.8° | 122.4° |
| O5 | C16 | C15 | H19 | 54.2° | 2.3° |
| O5 | C16 | C17 | H23 | 180.0° | 60.1° |
| O5 | C16 | C17 | H24 | 60.0° | 60.0° |
| O5 | C16 | C17 | H22 | 60.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 3.5° | 0.2° |
| C4 | C5 | C6 | O3 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 4.2° | 0.0° |
| C5 | C4 | C3 | H4 | 176.5° | 179.8° |
| C5 | C4 | C25 | H34 | 7.4° | 104.0° |
| C3 | C4 | C5 | C6 | 4.4° | 0.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 2.3° | 0.1° |
| C4 | C3 | C2 | O1 | 178.9° | 179.9° |
| C3 | C4 | C5 | H5 | 175.5° | 179.8° |
| C3 | C4 | C25 | H34 | 175.8° | 75.8° |
| C15 | C16 | C17 | H21 | 123.2° | 120.0° |
| C16 | C15 | C14 | H20 | 121.2° | 120.0° |
| C16 | C15 | C14 | H19 | 121.2° | 120.0° |
| C16 | C15 | C14 | C13 | 83.1° | 133.9° |
| C16 | C15 | C14 | H18 | 96.9° | 45.3° |
| C16 | C15 | H20 | H19 | 116.2° | 120.2° |
| C15 | C16 | C17 | H23 | 59.9° | 60.0° |
| C15 | C16 | C17 | H24 | 60.2° | 180.0° |
| C15 | C16 | C17 | H22 | 179.9° | 60.0° |
| C17 | C16 | C15 | C14 | 48.7° | 122.3° |
| C17 | C16 | C15 | H20 | 72.4° | 2.4° |
| C17 | C16 | C15 | H19 | 169.9° | 117.8° |
| C16 | C17 | H23 | H24 | 120.0° | 120.1° |
| C16 | C17 | H23 | H22 | 120.0° | 120.0° |
| C16 | C17 | H24 | H22 | 120.0° | 119.9° |
| C15 | C14 | C13 | H18 | 180.0° | 179.2° |
| C15 | C14 | C13 | C12 | 171.9° | 178.2° |
| C15 | C14 | C13 | H17 | 8.1° | 2.0° |
| C14 | C15 | H20 | H19 | 116.3° | 120.0° |
| C14 | C15 | C16 | H21 | 171.9° | 2.3° |
| C5 | C6 | O3 | C9 | 25.9° | 33.4° |
| C5 | C6 | O3 | C7 | 175.9° | 179.9° |
| C5 | C6 | C7 | C2 | 2.8° | 0.2° |
| C5 | C6 | C7 | O2 | 174.4° | 179.8° |
| C3 | C2 | C7 | C6 | 1.8° | 0.2° |
| C3 | C2 | C7 | O1 | 179.0° | 179.9° |
| C3 | C2 | O1 | C1 | 7.6° | 0.1° |
| C3 | C2 | C7 | O2 | 175.3° | 179.8° |
| C14 | C13 | C12 | O4 | 38.9° | 62.5° |
| C14 | C13 | C12 | H17 | 180.0° | 179.8° |
| C14 | C13 | C12 | H15 | 81.7° | 177.7° |
| C14 | C13 | C12 | H16 | 159.5° | 57.5° |
| C13 | C14 | C15 | H20 | 38.1° | 106.1° |
| C13 | C14 | C15 | H19 | 155.7° | 13.9° |
| O4 | C11 | C10 | H14 | 120.1° | 120.1° |
| O4 | C11 | C10 | H13 | 120.1° | 120.0° |
| O4 | C11 | C10 | C9 | 67.2° | 69.5° |
| C11 | O4 | C12 | C13 | 168.5° | 141.3° |
| O4 | C11 | H14 | H13 | 119.6° | 120.0° |
| O4 | C11 | C10 | H12 | 53.1° | 50.6° |
| O4 | C11 | C10 | H11 | 172.4° | 170.4° |
| C11 | O4 | C12 | H15 | 70.9° | 21.4° |
| C11 | O4 | C12 | H16 | 47.9° | 98.6° |
| C12 | O4 | C11 | C10 | 93.8° | 102.2° |
| O4 | C12 | C13 | H15 | 120.6° | 119.9° |
| O4 | C12 | C13 | H16 | 120.6° | 120.0° |
| C12 | O4 | C11 | H14 | 26.4° | 137.8° |
| C12 | O4 | C11 | H13 | 146.1° | 17.8° |
| O4 | C12 | H15 | H16 | 118.0° | 120.1° |
| O4 | C12 | C13 | H17 | 141.1° | 117.7° |
| C11 | C10 | C9 | O3 | 131.8° | 152.1° |
| C11 | C10 | C9 | H12 | 120.4° | 120.1° |
| C11 | C10 | C9 | H11 | 120.4° | 120.0° |
| C10 | C11 | H14 | H13 | 119.7° | 119.9° |
| C11 | C10 | C9 | H9 | 12.9° | 32.1° |
| C11 | C10 | C9 | H10 | 109.2° | 88.0° |
| C11 | C10 | H12 | H11 | 118.8° | 119.9° |
| O3 | C9 | C10 | H9 | 118.9° | 120.0° |
| O3 | C9 | C10 | H10 | 119.0° | 120.0° |
| C9 | O3 | C6 | C7 | 158.2° | 146.7° |
| O3 | C9 | H9 | H10 | 123.1° | 120.1° |
| O3 | C9 | C10 | H12 | 11.4° | 87.9° |
| O3 | C9 | C10 | H11 | 107.8° | 32.0° |
| C10 | C9 | O3 | C6 | 127.9° | 164.0° |
| C9 | C10 | C11 | H14 | 172.6° | 50.5° |
| C9 | C10 | C11 | H13 | 52.9° | 170.4° |
| C10 | C9 | H9 | H10 | 123.0° | 120.1° |
| C9 | C10 | H12 | H11 | 118.8° | 119.9° |
| O3 | C6 | C7 | C2 | 178.7° | 179.7° |
| O3 | C6 | C7 | O2 | 1.6° | 0.3° |
| O3 | C6 | C5 | H5 | 0.2° | 0.1° |
| C6 | O3 | C9 | H9 | 9.0° | 76.0° |
| C6 | O3 | C9 | H10 | 113.1° | 44.1° |
| C6 | C7 | C2 | O2 | 177.1° | 180.0° |
| C6 | C7 | C2 | O1 | 179.2° | 179.9° |
| C6 | C7 | O2 | C8 | 84.5° | 90.0° |
| C7 | C6 | C5 | H5 | 175.8° | 180.0° |
| C12 | C13 | C14 | H18 | 8.1° | 1.0° |
| C13 | C12 | H15 | H16 | 118.1° | 120.2° |
| C7 | C2 | O1 | C1 | 171.3° | 180.0° |
| C2 | C7 | O2 | C8 | 98.5° | 90.0° |
| C7 | C2 | C3 | H4 | 177.7° | 180.0° |
| O1 | C2 | C7 | O2 | 3.7° | 0.1° |
| O1 | C2 | C3 | H4 | 1.1° | 0.1° |
| C2 | O1 | C1 | H2 | 180.0° | 179.9° |
| C2 | O1 | C1 | H3 | 60.0° | 60.1° |
| C2 | O1 | C1 | H1 | 60.0° | 59.9° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C7 | O2 | C8 | H7 | 180.0° | 180.0° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O2 | C8 | H7 | H8 | 120.0° | 119.9° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H18 | C14 | C13 | H17 | 171.9° | 178.8° |
| H18 | C14 | C15 | H20 | 141.9° | 74.7° |
| H18 | C14 | C15 | H19 | 24.3° | 165.3° |
| H14 | C11 | C10 | H12 | 67.0° | 170.6° |
| H14 | C11 | C10 | H11 | 52.3° | 69.5° |
| H13 | C11 | C10 | H12 | 173.2° | 69.5° |
| H13 | C11 | C10 | H11 | 67.5° | 50.4° |
| H7 | C8 | H8 | H6 | 120.0° | 120.1° |
| H9 | C9 | C10 | H12 | 107.5° | 152.1° |
| H9 | C9 | C10 | H11 | 133.2° | 88.0° |
| H10 | C9 | C10 | H12 | 130.4° | 32.1° |
| H10 | C9 | C10 | H11 | 11.1° | 152.0° |
| H15 | C12 | C13 | H17 | 98.3° | 2.1° |
| H16 | C12 | C13 | H17 | 20.5° | 122.3° |
| H2 | C1 | H3 | H1 | 119.9° | 120.0° |
| H20 | C15 | C16 | H21 | 50.7° | 117.6° |
| H19 | C15 | C16 | H21 | 66.9° | 122.2° |
| H21 | C16 | C17 | H23 | 63.3° | 179.9° |
| H21 | C16 | C17 | H24 | 176.6° | 60.0° |
| H21 | C16 | C17 | H22 | 56.7° | 59.9° |
| H23 | C17 | H24 | H22 | 120.0° | 120.0° |
| H25 | C19 | C20 | H27 | 59.0° | 172.6° |
| H25 | C19 | C20 | H26 | 60.8° | 52.3° |
| H27 | C20 | C21 | H28 | 171.9° | 60.8° |
| H27 | C20 | C21 | H29 | 67.1° | 179.5° |
| H26 | C20 | C21 | H28 | 68.4° | 59.4° |
| H26 | C20 | C21 | H29 | 52.6° | 59.2° |
| H28 | C21 | C22 | H30 | 61.8° | 10.5° |
| H28 | C21 | C22 | H31 | 178.5° | 107.9° |
| H29 | C21 | C22 | H30 | 59.2° | 129.2° |
| H29 | C21 | C22 | H31 | 60.5° | 10.8° |
| H30 | C22 | C23 | H32 | 45.6° | 76.2° |
| H30 | C22 | C23 | H33 | 73.0° | 43.4° |
| H31 | C22 | C23 | H32 | 165.4° | 42.2° |
| H31 | C22 | C23 | H33 | 46.7° | 161.8° |
| H34 | C25 | C26 | H35 | 173.6° | 35.4° |
| H35 | C26 | C27 | H37 | 54.6° | 179.9° |
| H35 | C26 | C27 | H36 | 173.6° | 59.9° |
| H35 | C26 | C31 | H45 | 53.9° | 59.9° |
| H35 | C26 | C31 | H44 | 173.0° | 180.0° |
| H37 | C27 | C28 | H38 | 64.0° | 60.0° |
| H37 | C27 | C28 | H39 | 55.8° | 180.0° |
| H36 | C27 | C28 | H38 | 55.0° | 60.0° |
| H36 | C27 | C28 | H39 | 174.8° | 59.9° |
| H38 | C28 | C29 | H40 | 57.5° | 60.0° |
| H38 | C28 | C29 | H41 | 61.8° | 60.0° |
| H39 | C28 | C29 | H40 | 177.3° | 180.0° |
| H39 | C28 | C29 | H41 | 57.9° | 60.0° |
| H40 | C29 | C30 | H42 | 57.6° | 60.0° |
| H40 | C29 | C30 | H43 | 177.2° | 180.0° |
| H41 | C29 | C30 | H42 | 61.8° | 60.0° |
| H41 | C29 | C30 | H43 | 57.8° | 60.0° |
| H42 | C30 | C31 | H45 | 65.2° | 60.0° |
| H42 | C30 | C31 | H44 | 53.9° | 60.0° |
| H43 | C30 | C31 | H45 | 54.4° | 60.0° |
| H43 | C30 | C31 | H44 | 173.5° | 180.0° |
