A1IOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C32 | C27 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C20 | N1 | sing | 1.46Å | 1.48Å | |
| C20 | C19 | sing | 1.50Å | 1.51Å | |
| N1 | C25 | sing | 1.36Å | 1.35Å | |
| N1 | C24 | sing | 1.47Å | 1.47Å | |
| O8 | C25 | doub | 1.22Å | 1.25Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| O7 | C19 | doub | 1.20Å | 1.21Å | |
| C26 | C4 | sing | 1.50Å | 1.51Å | |
| C19 | O6 | sing | 1.32Å | 1.34Å | |
| O6 | C17 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.52Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.50Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | doub | 1.31Å | 1.30Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | O5 | sing | 1.43Å | 1.42Å | |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O4 | C11 | sing | 1.43Å | 1.44Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| C12 | O5 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| C14 | H18 | sing | 1.07Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | 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 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | 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 | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.10Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.10Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | 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 | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 109.2° | 109.5° |
| C31 | C32 | C27 | 111.4° | 109.4° |
| C32 | C31 | H45 | 109.6° | 109.5° |
| C32 | C31 | H44 | 109.6° | 109.4° |
| C31 | C32 | H46 | 109.0° | 109.5° |
| C31 | C32 | H47 | 109.0° | 109.4° |
| C31 | C30 | C29 | 111.2° | 109.5° |
| C31 | C30 | H43 | 109.0° | 109.5° |
| C31 | C30 | H42 | 109.1° | 109.5° |
| C30 | C31 | H45 | 109.5° | 109.5° |
| C30 | C31 | H44 | 109.5° | 109.5° |
| C22 | C21 | C20 | 113.8° | 110.0° |
| C21 | C22 | C23 | 109.7° | 107.9° |
| C22 | C21 | H29 | 108.4° | 109.5° |
| C22 | C21 | H28 | 108.4° | 109.4° |
| C21 | C22 | H30 | 109.4° | 109.9° |
| C21 | C22 | H31 | 109.4° | 109.6° |
| C21 | C20 | N1 | 112.2° | 112.2° |
| C21 | C20 | C19 | 102.2° | 107.3° |
| C21 | C20 | H27 | 108.8° | 107.2° |
| C20 | C21 | H29 | 108.4° | 109.6° |
| C20 | C21 | H28 | 108.4° | 109.3° |
| C32 | C27 | C26 | 110.8° | 109.4° |
| C32 | C27 | C28 | 110.1° | 109.5° |
| C32 | C27 | H37 | 108.6° | 109.5° |
| C27 | C32 | H46 | 109.0° | 109.5° |
| C27 | C32 | H47 | 109.0° | 109.4° |
| C30 | C29 | C28 | 114.8° | 109.5° |
| C30 | C29 | H41 | 108.1° | 109.4° |
| C30 | C29 | H40 | 108.1° | 109.5° |
| C29 | C30 | H43 | 109.0° | 109.5° |
| C29 | C30 | H42 | 109.0° | 109.5° |
| C22 | C23 | C24 | 112.0° | 108.8° |
| C23 | C22 | H30 | 109.4° | 109.9° |
| C23 | C22 | H31 | 109.4° | 109.5° |
| C22 | C23 | H32 | 108.8° | 109.3° |
| C22 | C23 | H33 | 108.8° | 109.4° |
| C23 | C24 | N1 | 113.3° | 111.2° |
| C24 | C23 | H32 | 108.8° | 109.8° |
| C24 | C23 | H33 | 108.8° | 109.8° |
| C23 | C24 | H34 | 108.5° | 109.1° |
| C23 | C24 | H35 | 108.5° | 108.5° |
| N1 | C20 | C19 | 115.0° | 114.0° |
| C20 | N1 | C25 | 121.3° | 120.8° |
| C20 | N1 | C24 | 116.2° | 120.9° |
| N1 | C20 | H27 | 109.4° | 107.9° |
| C20 | C19 | O7 | 123.2° | 117.7° |
| C20 | C19 | O6 | 110.7° | 122.7° |
| C19 | C20 | H27 | 109.0° | 108.0° |
| C25 | N1 | C24 | 121.7° | 118.2° |
| N1 | C25 | O8 | 121.9° | 120.8° |
| N1 | C25 | C26 | 120.7° | 119.7° |
| N1 | C24 | H34 | 108.5° | 109.2° |
| N1 | C24 | H35 | 108.5° | 109.9° |
| O8 | C25 | C26 | 116.9° | 119.5° |
| C25 | C26 | C27 | 108.1° | 109.3° |
| C25 | C26 | C4 | 113.2° | 111.3° |
| C25 | C26 | H36 | 109.2° | 109.9° |
| C26 | C27 | C28 | 109.4° | 109.4° |
| C27 | C26 | C4 | 108.1° | 108.2° |
| C27 | C26 | H36 | 109.0° | 109.3° |
| C26 | C27 | H37 | 108.8° | 109.5° |
| C27 | C28 | C29 | 109.7° | 109.4° |
| C28 | C27 | H37 | 109.1° | 109.5° |
| C27 | C28 | H38 | 109.4° | 109.5° |
| C27 | C28 | H39 | 109.4° | 109.5° |
| C29 | C28 | H38 | 109.4° | 109.5° |
| C29 | C28 | H39 | 109.4° | 109.4° |
| C28 | C29 | H41 | 108.1° | 109.5° |
| C28 | C29 | H40 | 108.1° | 109.4° |
| O7 | C19 | O6 | 126.1° | 119.4° |
| C26 | C4 | C5 | 117.5° | 120.6° |
| C26 | C4 | C3 | 123.3° | 119.5° |
| C4 | C26 | H36 | 109.1° | 108.8° |
| C19 | O6 | C17 | 116.2° | 122.6° |
| O6 | C17 | C15 | 105.3° | 114.7° |
| O6 | C17 | C18 | 114.6° | 108.9° |
| O6 | C17 | H23 | 109.3° | 108.4° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.1° |
| C4 | C5 | H5 | 119.4° | 120.2° |
| C4 | C3 | C2 | 119.6° | 120.2° |
| C4 | C3 | H4 | 120.2° | 120.0° |
| C5 | C6 | O3 | 125.8° | 120.0° |
| C5 | C6 | C7 | 119.7° | 119.9° |
| C6 | C5 | H5 | 119.4° | 119.7° |
| C3 | C2 | C7 | 120.4° | 119.7° |
| C3 | C2 | O1 | 126.5° | 120.2° |
| C2 | C3 | H4 | 120.2° | 119.7° |
| C15 | C17 | C18 | 110.4° | 108.6° |
| C17 | C15 | C14 | 108.4° | 112.1° |
| C17 | C15 | C16 | 113.7° | 108.9° |
| C17 | C15 | H19 | 106.8° | 109.2° |
| C15 | C17 | H23 | 108.4° | 108.1° |
| C18 | C17 | H23 | 108.6° | 107.8° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.5° |
| C14 | C15 | C16 | 113.4° | 109.0° |
| C15 | C14 | C13 | 131.6° | 118.5° |
| C15 | C14 | H18 | 114.2° | 120.9° |
| C14 | C15 | H19 | 107.1° | 108.9° |
| C16 | C15 | H19 | 107.0° | 108.7° |
| C15 | C16 | H21 | 109.5° | 109.4° |
| C15 | C16 | H22 | 109.5° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C14 | C13 | C12 | 118.4° | 120.8° |
| C13 | C14 | H18 | 114.2° | 120.7° |
| C14 | C13 | H17 | 120.8° | 119.3° |
| C9 | C10 | C11 | 114.9° | 109.4° |
| C9 | C10 | O5 | 105.1° | 109.4° |
| C10 | C9 | O3 | 113.6° | 109.6° |
| C10 | C9 | H10 | 108.4° | 109.3° |
| C10 | C9 | H9 | 108.4° | 109.4° |
| C9 | C10 | H11 | 107.9° | 109.5° |
| C11 | C10 | O5 | 112.2° | 109.4° |
| C10 | C11 | O4 | 112.7° | 109.5° |
| C10 | C11 | H12 | 108.7° | 109.5° |
| C10 | C11 | H13 | 108.7° | 109.5° |
| C11 | C10 | H11 | 107.6° | 109.4° |
| C10 | O5 | C12 | 116.0° | 114.9° |
| O5 | C10 | H11 | 109.0° | 109.7° |
| O3 | C6 | C7 | 114.5° | 120.1° |
| C6 | O3 | C9 | 123.0° | 117.1° |
| C6 | C7 | C2 | 119.8° | 120.0° |
| C6 | C7 | O2 | 120.8° | 119.9° |
| O4 | C11 | H12 | 108.7° | 109.5° |
| O4 | C11 | H13 | 108.6° | 109.5° |
| C11 | O4 | H14 | 109.5° | 114.0° |
| O3 | C9 | H10 | 108.4° | 109.5° |
| O3 | C9 | H9 | 108.4° | 109.6° |
| C7 | C2 | O1 | 113.0° | 120.0° |
| C2 | C7 | O2 | 119.4° | 120.1° |
| C2 | O1 | C1 | 116.9° | 117.0° |
| O5 | C12 | C13 | 113.6° | 109.5° |
| O5 | C12 | H15 | 108.4° | 109.6° |
| O5 | C12 | H16 | 108.4° | 109.4° |
| C13 | C12 | H15 | 108.5° | 109.7° |
| C13 | C12 | H16 | 108.4° | 109.3° |
| C12 | C13 | H17 | 120.8° | 119.9° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| C7 | O2 | C8 | 111.0° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.4° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.3° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.6° |
| H21 | C16 | H20 | 109.5° | 109.4° |
| H22 | C16 | H20 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H25 | C18 | H24 | 109.5° | 109.5° |
| H26 | C18 | H24 | 109.4° | 109.5° |
| H29 | C21 | H28 | 109.5° | 109.0° |
| H30 | C22 | H31 | 109.5° | 110.1° |
| H32 | C23 | H33 | 109.4° | 109.7° |
| H34 | C24 | H35 | 109.5° | 108.9° |
| H38 | C28 | H39 | 109.5° | 109.5° |
| H41 | C29 | H40 | 109.5° | 109.5° |
| H43 | C30 | H42 | 109.5° | 109.4° |
| H45 | C31 | H44 | 109.5° | 109.5° |
| H46 | C32 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H45 | 120.0° | 120.1° |
| C32 | C31 | C30 | H44 | 120.0° | 120.0° |
| C31 | C32 | C27 | H46 | 120.3° | 120.0° |
| C31 | C32 | C27 | H47 | 120.3° | 119.9° |
| C32 | C31 | C30 | C29 | 54.7° | 60.0° |
| C31 | C32 | C27 | C26 | 177.8° | 180.0° |
| C31 | C32 | C27 | C28 | 61.0° | 60.1° |
| C31 | C32 | C27 | H37 | 58.4° | 60.0° |
| C32 | C31 | C30 | H43 | 65.6° | 180.0° |
| C32 | C31 | C30 | H42 | 174.9° | 60.0° |
| C32 | C31 | H45 | H44 | 120.2° | 120.0° |
| C31 | C32 | H46 | H47 | 119.1° | 120.0° |
| C30 | C31 | C32 | C27 | 60.7° | 60.0° |
| C31 | C30 | C29 | H43 | 120.2° | 120.0° |
| C31 | C30 | C29 | H42 | 120.3° | 120.0° |
| C31 | C30 | C29 | C28 | 52.0° | 60.0° |
| C31 | C30 | C29 | H41 | 172.8° | 60.0° |
| C31 | C30 | C29 | H40 | 68.8° | 180.0° |
| C31 | C30 | H43 | H42 | 119.3° | 120.0° |
| C30 | C31 | H45 | H44 | 120.1° | 120.0° |
| C30 | C31 | C32 | H46 | 179.0° | 60.0° |
| C30 | C31 | C32 | H47 | 59.6° | 179.9° |
| C22 | C21 | C20 | H29 | 120.6° | 120.5° |
| C22 | C21 | C20 | H28 | 120.7° | 120.1° |
| C21 | C22 | C23 | H30 | 120.0° | 119.8° |
| C21 | C22 | C23 | H31 | 120.0° | 119.2° |
| C21 | C22 | C23 | C24 | 54.3° | 65.2° |
| C22 | C21 | C20 | N1 | 49.1° | 48.4° |
| C22 | C21 | C20 | C19 | 74.6° | 174.4° |
| C22 | C21 | C20 | H27 | 170.2° | 69.8° |
| C22 | C21 | H29 | H28 | 118.0° | 119.7° |
| C21 | C22 | H30 | H31 | 119.9° | 120.8° |
| C21 | C22 | C23 | H32 | 174.8° | 54.8° |
| C21 | C22 | C23 | H33 | 66.1° | 174.8° |
| C20 | C21 | C22 | C23 | 54.4° | 62.7° |
| C21 | C20 | N1 | C19 | 116.2° | 122.2° |
| C21 | C20 | N1 | H27 | 120.8° | 117.8° |
| C21 | C20 | C19 | H27 | 115.0° | 115.2° |
| C21 | C20 | N1 | C25 | 144.7° | 143.8° |
| C21 | C20 | N1 | C24 | 45.4° | 39.5° |
| C21 | C20 | C19 | O7 | 58.7° | 61.0° |
| C21 | C20 | C19 | O6 | 118.9° | 115.1° |
| C20 | C21 | H29 | H28 | 118.0° | 119.6° |
| C20 | C21 | C22 | H30 | 65.6° | 177.5° |
| C20 | C21 | C22 | H31 | 174.4° | 56.4° |
| C32 | C27 | C26 | C25 | 61.0° | 176.5° |
| C32 | C27 | C26 | C28 | 121.6° | 119.9° |
| C32 | C27 | C26 | H37 | 119.3° | 120.0° |
| C32 | C27 | C28 | H37 | 119.1° | 120.1° |
| C32 | C27 | C28 | C29 | 54.2° | 60.0° |
| C32 | C27 | C26 | C4 | 176.1° | 55.1° |
| C32 | C27 | C26 | H36 | 57.6° | 63.2° |
| C32 | C27 | C28 | H38 | 174.2° | 179.9° |
| C32 | C27 | C28 | H39 | 65.8° | 59.9° |
| C27 | C32 | C31 | H45 | 179.3° | 60.0° |
| C27 | C32 | C31 | H44 | 59.2° | 180.0° |
| C27 | C32 | H46 | H47 | 119.1° | 120.0° |
| C30 | C29 | C28 | C27 | 51.0° | 60.0° |
| C30 | C29 | C28 | H41 | 120.8° | 120.0° |
| C30 | C29 | C28 | H40 | 120.7° | 120.0° |
| C30 | C29 | C28 | H38 | 171.1° | 180.0° |
| C30 | C29 | C28 | H39 | 69.0° | 60.0° |
| C30 | C29 | H41 | H40 | 117.5° | 120.0° |
| C29 | C30 | H43 | H42 | 119.2° | 120.0° |
| C29 | C30 | C31 | H45 | 174.7° | 60.0° |
| C29 | C30 | C31 | H44 | 65.3° | 180.0° |
| C22 | C23 | C24 | H32 | 120.4° | 119.6° |
| C22 | C23 | C24 | H33 | 120.4° | 119.7° |
| C22 | C23 | C24 | N1 | 51.4° | 53.0° |
| C23 | C22 | C21 | H29 | 66.3° | 57.8° |
| C23 | C22 | C21 | H28 | 175.0° | 177.2° |
| C23 | C22 | H30 | H31 | 119.9° | 120.6° |
| C22 | C23 | H32 | H33 | 118.8° | 119.9° |
| C22 | C23 | C24 | H34 | 69.2° | 67.6° |
| C22 | C23 | C24 | H35 | 172.0° | 173.9° |
| C23 | C24 | N1 | C20 | 46.8° | 41.9° |
| C23 | C24 | N1 | C25 | 143.4° | 141.3° |
| C23 | C24 | N1 | H34 | 120.6° | 120.5° |
| C23 | C24 | N1 | H35 | 120.5° | 120.1° |
| C24 | C23 | C22 | H30 | 65.7° | 175.1° |
| C24 | C23 | C22 | H31 | 174.4° | 54.1° |
| C24 | C23 | H32 | H33 | 118.8° | 120.8° |
| C23 | C24 | H34 | H35 | 118.2° | 118.2° |
| N1 | C20 | C19 | H27 | 123.2° | 119.9° |
| C20 | N1 | C25 | C24 | 169.3° | 176.8° |
| C20 | N1 | C25 | O8 | 5.7° | 17.4° |
| C20 | N1 | C25 | C26 | 166.3° | 163.0° |
| N1 | C20 | C19 | O7 | 179.5° | 63.9° |
| N1 | C20 | C19 | O6 | 2.9° | 120.0° |
| N1 | C20 | C21 | H29 | 71.5° | 72.1° |
| N1 | C20 | C21 | H28 | 169.7° | 168.5° |
| C20 | N1 | C24 | H34 | 73.8° | 78.6° |
| C20 | N1 | C24 | H35 | 167.3° | 162.0° |
| C19 | C20 | N1 | C25 | 99.1° | 21.6° |
| C19 | C20 | N1 | C24 | 70.8° | 161.7° |
| C20 | C19 | O7 | O6 | 177.2° | 176.2° |
| C20 | C19 | O6 | C17 | 167.7° | 132.3° |
| C19 | C20 | C21 | H29 | 164.8° | 54.0° |
| C19 | C20 | C21 | H28 | 46.1° | 65.5° |
| N1 | C25 | O8 | C26 | 172.3° | 179.6° |
| N1 | C25 | C26 | C27 | 158.3° | 66.2° |
| N1 | C25 | C26 | C4 | 81.9° | 174.3° |
| C25 | N1 | C20 | H27 | 23.9° | 98.4° |
| C25 | N1 | C24 | H34 | 96.1° | 98.2° |
| C25 | N1 | C24 | H35 | 22.8° | 21.2° |
| N1 | C25 | C26 | H36 | 39.8° | 53.7° |
| C24 | N1 | C25 | O8 | 175.0° | 165.8° |
| C24 | N1 | C25 | C26 | 3.0° | 13.8° |
| C24 | N1 | C20 | H27 | 166.2° | 78.3° |
| N1 | C24 | C23 | H32 | 171.8° | 66.7° |
| N1 | C24 | C23 | H33 | 69.0° | 172.7° |
| N1 | C24 | H34 | H35 | 118.3° | 120.0° |
| O8 | C25 | C26 | C27 | 29.3° | 114.2° |
| O8 | C25 | C26 | C4 | 90.5° | 5.3° |
| O8 | C25 | C26 | H36 | 147.7° | 125.9° |
| C25 | C26 | C27 | C4 | 122.9° | 121.4° |
| C25 | C26 | C27 | H36 | 118.6° | 120.3° |
| C25 | C26 | C27 | C28 | 177.4° | 56.5° |
| C25 | C26 | C4 | H36 | 121.8° | 121.2° |
| C25 | C26 | C4 | C5 | 125.9° | 55.8° |
| C25 | C26 | C4 | C3 | 52.1° | 126.0° |
| C25 | C26 | C27 | H37 | 58.3° | 63.5° |
| C26 | C27 | C28 | H37 | 118.9° | 120.0° |
| C26 | C27 | C28 | C29 | 176.2° | 180.0° |
| C27 | C26 | C4 | H36 | 118.4° | 118.6° |
| C27 | C26 | C4 | C5 | 114.4° | 64.4° |
| C27 | C26 | C4 | C3 | 67.6° | 113.9° |
| C26 | C27 | C28 | H38 | 63.7° | 60.0° |
| C26 | C27 | C28 | H39 | 56.2° | 60.0° |
| C26 | C27 | C32 | H46 | 57.5° | 60.0° |
| C26 | C27 | C32 | H47 | 61.9° | 60.1° |
| C27 | C28 | C29 | H38 | 120.1° | 120.0° |
| C27 | C28 | C29 | H39 | 120.0° | 120.0° |
| C28 | C27 | C26 | C4 | 54.5° | 64.9° |
| C28 | C27 | C26 | H36 | 64.0° | 176.8° |
| C27 | C28 | H38 | H39 | 119.9° | 120.0° |
| C27 | C28 | C29 | H41 | 171.8° | 60.0° |
| C27 | C28 | C29 | H40 | 69.7° | 180.0° |
| C28 | C27 | C32 | H46 | 178.7° | 59.9° |
| C28 | C27 | C32 | H47 | 59.3° | 180.0° |
| C29 | C28 | C27 | H37 | 64.9° | 60.0° |
| C29 | C28 | H38 | H39 | 119.8° | 120.0° |
| C28 | C29 | H41 | H40 | 117.6° | 120.0° |
| C28 | C29 | C30 | H43 | 68.2° | 180.0° |
| C28 | C29 | C30 | H42 | 172.3° | 60.0° |
| O7 | C19 | O6 | C17 | 14.8° | 43.7° |
| O7 | C19 | C20 | H27 | 56.3° | 176.2° |
| C26 | C4 | C5 | C3 | 178.1° | 178.2° |
| C26 | C4 | C5 | C6 | 178.1° | 177.0° |
| C26 | C4 | C3 | C2 | 179.2° | 177.1° |
| C26 | C4 | C5 | H5 | 1.9° | 2.9° |
| C26 | C4 | C3 | H4 | 0.8° | 3.0° |
| C4 | C26 | C27 | H37 | 64.5° | 175.1° |
| C19 | O6 | C17 | C15 | 103.7° | 109.5° |
| C19 | O6 | C17 | C18 | 134.8° | 128.6° |
| C19 | O6 | C17 | H23 | 12.6° | 11.5° |
| O6 | C19 | C20 | H27 | 126.1° | 0.1° |
| O6 | C17 | C15 | C18 | 124.2° | 122.1° |
| O6 | C17 | C15 | H23 | 116.9° | 121.1° |
| O6 | C17 | C18 | H23 | 122.6° | 117.5° |
| O6 | C17 | C15 | C14 | 65.1° | 30.2° |
| O6 | C17 | C15 | C16 | 167.7° | 150.9° |
| O6 | C17 | C15 | H19 | 50.0° | 90.6° |
| O6 | C17 | C18 | H25 | 180.0° | 65.5° |
| O6 | C17 | C18 | H26 | 60.0° | 54.4° |
| O6 | C17 | C18 | H24 | 60.0° | 174.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 2.9° | 1.2° |
| C4 | C5 | C6 | O3 | 177.9° | 179.5° |
| C4 | C5 | C6 | C7 | 2.1° | 0.4° |
| C5 | C4 | C3 | H4 | 177.1° | 178.7° |
| C5 | C4 | C26 | H36 | 4.1° | 177.0° |
| C3 | C4 | C5 | C6 | 0.0° | 1.2° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 3.6° | 0.3° |
| C4 | C3 | C2 | O1 | 179.6° | 179.5° |
| C3 | C4 | C5 | H5 | 180.0° | 178.8° |
| C3 | C4 | C26 | H36 | 173.9° | 4.8° |
| C5 | C6 | O3 | C7 | 180.0° | 179.9° |
| C5 | C6 | O3 | C9 | 14.3° | 99.2° |
| C5 | C6 | C7 | C2 | 1.4° | 0.4° |
| C5 | C6 | C7 | O2 | 179.3° | 179.6° |
| C3 | C2 | C7 | C6 | 1.5° | 0.4° |
| C3 | C2 | C7 | O1 | 177.2° | 179.8° |
| C3 | C2 | O1 | C1 | 14.5° | 0.0° |
| C3 | C2 | C7 | O2 | 177.8° | 179.6° |
| C15 | C17 | C18 | H23 | 118.7° | 117.0° |
| C17 | C15 | C14 | C16 | 127.3° | 120.6° |
| C17 | C15 | C14 | H19 | 114.9° | 121.0° |
| C17 | C15 | C16 | H19 | 117.6° | 118.8° |
| C17 | C15 | C14 | C13 | 119.9° | 169.7° |
| C17 | C15 | C14 | H18 | 60.1° | 11.0° |
| C17 | C15 | C16 | H21 | 180.0° | 62.6° |
| C17 | C15 | C16 | H22 | 60.0° | 57.5° |
| C17 | C15 | C16 | H20 | 60.0° | 177.5° |
| C15 | C17 | C18 | H25 | 61.3° | 60.0° |
| C15 | C17 | C18 | H26 | 58.7° | 180.0° |
| C15 | C17 | C18 | H24 | 178.6° | 60.0° |
| C18 | C17 | C15 | C14 | 59.1° | 91.9° |
| C18 | C17 | C15 | C16 | 68.0° | 28.8° |
| C18 | C17 | C15 | H19 | 174.2° | 147.3° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H24 | 120.0° | 120.0° |
| C17 | C18 | H26 | H24 | 120.0° | 120.0° |
| C14 | C15 | C16 | H19 | 117.9° | 118.6° |
| C15 | C14 | C13 | H18 | 180.0° | 179.3° |
| C15 | C14 | C13 | C12 | 168.7° | 178.5° |
| C15 | C14 | C13 | H17 | 11.3° | 1.7° |
| C14 | C15 | C16 | H21 | 55.5° | 60.0° |
| C14 | C15 | C16 | H22 | 64.5° | 179.9° |
| C14 | C15 | C16 | H20 | 175.5° | 59.9° |
| C14 | C15 | C17 | H23 | 177.9° | 151.3° |
| C16 | C15 | C14 | C13 | 7.4° | 69.7° |
| C16 | C15 | C14 | H18 | 172.6° | 109.6° |
| C15 | C16 | H21 | H22 | 120.0° | 120.1° |
| C15 | C16 | H21 | H20 | 120.0° | 119.9° |
| C15 | C16 | H22 | H20 | 120.0° | 120.0° |
| C16 | C15 | C17 | H23 | 50.8° | 88.0° |
| C14 | C13 | C12 | O5 | 81.0° | 63.4° |
| C14 | C13 | C12 | H17 | 180.0° | 179.8° |
| C14 | C13 | C12 | H15 | 39.5° | 57.0° |
| C14 | C13 | C12 | H16 | 158.3° | 176.8° |
| C13 | C14 | C15 | H19 | 125.2° | 48.7° |
| C9 | C10 | C11 | O5 | 120.0° | 119.8° |
| C9 | C10 | C11 | H11 | 120.1° | 120.0° |
| C9 | C10 | O5 | H11 | 115.4° | 120.1° |
| C10 | C9 | O3 | C6 | 86.6° | 137.7° |
| C9 | C10 | C11 | O4 | 167.0° | 175.0° |
| C10 | C9 | O3 | H10 | 120.6° | 119.9° |
| C10 | C9 | O3 | H9 | 120.6° | 120.1° |
| C9 | C10 | O5 | C12 | 178.4° | 148.2° |
| C9 | C10 | C11 | H12 | 46.5° | 55.0° |
| C9 | C10 | C11 | H13 | 72.6° | 65.0° |
| C10 | C9 | H10 | H9 | 118.1° | 119.8° |
| C11 | C10 | O5 | H11 | 119.0° | 120.0° |
| C10 | C11 | O4 | H12 | 120.5° | 120.0° |
| C10 | C11 | O4 | H13 | 120.5° | 120.0° |
| C11 | C10 | C9 | O3 | 127.0° | 32.2° |
| C11 | C10 | O5 | C12 | 56.0° | 92.0° |
| C10 | C11 | H12 | H13 | 118.6° | 120.0° |
| C11 | C10 | C9 | H10 | 6.4° | 87.9° |
| C11 | C10 | C9 | H9 | 112.3° | 152.4° |
| C10 | C11 | O4 | H14 | 180.0° | 180.0° |
| O5 | C10 | C11 | O4 | 73.0° | 65.2° |
| O5 | C10 | C9 | O3 | 3.2° | 87.7° |
| C10 | O5 | C12 | C13 | 154.7° | 148.5° |
| O5 | C10 | C11 | H12 | 166.5° | 174.8° |
| O5 | C10 | C11 | H13 | 47.5° | 54.8° |
| O5 | C10 | C9 | H10 | 117.4° | 152.3° |
| O5 | C10 | C9 | H9 | 123.8° | 32.5° |
| C10 | O5 | C12 | H15 | 34.0° | 91.2° |
| C10 | O5 | C12 | H16 | 84.7° | 28.7° |
| O3 | C6 | C7 | C2 | 178.7° | 179.7° |
| O3 | C6 | C7 | O2 | 0.7° | 0.3° |
| O3 | C6 | C5 | H5 | 2.1° | 0.5° |
| C6 | O3 | C9 | H10 | 152.8° | 102.4° |
| C6 | O3 | C9 | H9 | 34.0° | 17.6° |
| C7 | C6 | O3 | C9 | 165.7° | 80.9° |
| C6 | C7 | C2 | O2 | 179.3° | 180.0° |
| C6 | C7 | C2 | O1 | 178.7° | 179.7° |
| C6 | C7 | O2 | C8 | 94.4° | 90.0° |
| C7 | C6 | C5 | H5 | 177.9° | 179.6° |
| O4 | C11 | H12 | H13 | 118.5° | 120.0° |
| O4 | C11 | C10 | H11 | 46.8° | 55.0° |
| O3 | C9 | H10 | H9 | 118.1° | 120.1° |
| O3 | C9 | C10 | H11 | 113.0° | 152.1° |
| C7 | C2 | O1 | C1 | 168.5° | 179.8° |
| C2 | C7 | O2 | C8 | 84.9° | 89.9° |
| C7 | C2 | C3 | H4 | 176.4° | 179.5° |
| O1 | C2 | C7 | O2 | 0.6° | 0.2° |
| O1 | C2 | C3 | H4 | 0.4° | 0.6° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O5 | C12 | C13 | H15 | 120.6° | 120.3° |
| O5 | C12 | C13 | H16 | 120.6° | 119.9° |
| C12 | O5 | C10 | H11 | 63.0° | 28.1° |
| O5 | C12 | H15 | H16 | 118.1° | 120.0° |
| O5 | C12 | C13 | H17 | 98.9° | 116.5° |
| C12 | C13 | C14 | H18 | 11.3° | 0.8° |
| C13 | C12 | H15 | H16 | 118.1° | 119.8° |
| 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° | 59.9° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O2 | C8 | H7 | H8 | 120.0° | 120.1° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.1° |
| H18 | C14 | C13 | H17 | 168.6° | 179.0° |
| H18 | C14 | C15 | H19 | 54.8° | 132.0° |
| H12 | C11 | C10 | H11 | 73.7° | 65.0° |
| H12 | C11 | O4 | H14 | 59.5° | 60.0° |
| H13 | C11 | C10 | H11 | 167.3° | 175.0° |
| H13 | C11 | O4 | H14 | 59.5° | 60.0° |
| H7 | C8 | H8 | H6 | 120.0° | 119.9° |
| H10 | C9 | C10 | H11 | 126.4° | 32.1° |
| H9 | C9 | C10 | H11 | 7.6° | 87.7° |
| H15 | C12 | C13 | H17 | 140.5° | 123.2° |
| H16 | C12 | C13 | H17 | 21.7° | 3.4° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 62.4° | 178.6° |
| H19 | C15 | C16 | H22 | 177.7° | 61.3° |
| H19 | C15 | C16 | H20 | 57.6° | 58.7° |
| H19 | C15 | C17 | H23 | 66.9° | 30.5° |
| H21 | C16 | H22 | H20 | 120.0° | 120.0° |
| H23 | C17 | C18 | H25 | 57.4° | 177.0° |
| H23 | C17 | C18 | H26 | 177.4° | 63.0° |
| H23 | C17 | C18 | H24 | 62.6° | 57.0° |
| H25 | C18 | H26 | H24 | 120.0° | 120.0° |
| H27 | C20 | C21 | H29 | 49.6° | 169.7° |
| H27 | C20 | C21 | H28 | 69.1° | 50.3° |
| H29 | C21 | C22 | H30 | 173.7° | 62.0° |
| H29 | C21 | C22 | H31 | 53.8° | 176.9° |
| H28 | C21 | C22 | H30 | 55.0° | 57.5° |
| H28 | C21 | C22 | H31 | 65.0° | 63.6° |
| H30 | C22 | C23 | H32 | 54.7° | 65.0° |
| H30 | C22 | C23 | H33 | 173.9° | 55.1° |
| H31 | C22 | C23 | H32 | 65.2° | 174.0° |
| H31 | C22 | C23 | H33 | 54.0° | 65.9° |
| H32 | C23 | C24 | H34 | 51.3° | 172.8° |
| H32 | C23 | C24 | H35 | 67.6° | 54.3° |
| H33 | C23 | C24 | H34 | 170.5° | 52.1° |
| H33 | C23 | C24 | H35 | 51.6° | 66.4° |
| H36 | C26 | C27 | H37 | 176.9° | 56.8° |
| H37 | C27 | C28 | H38 | 55.2° | 60.0° |
| H37 | C27 | C28 | H39 | 175.1° | 180.0° |
| H37 | C27 | C32 | H46 | 61.9° | 180.0° |
| H37 | C27 | C32 | H47 | 178.6° | 59.9° |
| H38 | C28 | C29 | H41 | 68.1° | 60.0° |
| H38 | C28 | C29 | H40 | 50.4° | 60.0° |
| H39 | C28 | C29 | H41 | 51.8° | 180.0° |
| H39 | C28 | C29 | H40 | 170.3° | 60.0° |
| H41 | C29 | C30 | H43 | 52.6° | 60.0° |
| H41 | C29 | C30 | H42 | 66.9° | 180.0° |
| H40 | C29 | C30 | H43 | 171.0° | 60.0° |
| H40 | C29 | C30 | H42 | 51.5° | 60.0° |
| H43 | C30 | C31 | H45 | 54.4° | 60.0° |
| H43 | C30 | C31 | H44 | 174.5° | 60.0° |
| H42 | C30 | C31 | H45 | 65.1° | 179.9° |
| H42 | C30 | C31 | H44 | 54.9° | 59.9° |
| H45 | C31 | C32 | H46 | 59.0° | 180.0° |
| H45 | C31 | C32 | H47 | 60.4° | 59.9° |
| H44 | C31 | C32 | H46 | 61.0° | 60.0° |
| H44 | C31 | C32 | H47 | 179.5° | 60.1° |
