A1IOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C31 | C26 | sing | 1.53Å | 1.52Å | |
| C19 | N1 | sing | 1.46Å | 1.48Å | |
| C19 | C18 | sing | 1.50Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.48Å | |
| N1 | C23 | sing | 1.47Å | 1.48Å | |
| N1 | C24 | sing | 1.36Å | 1.34Å | |
| O9 | C24 | doub | 1.22Å | 1.24Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| O8 | C18 | doub | 1.21Å | 1.21Å | |
| C18 | O7 | sing | 1.32Å | 1.35Å | |
| C25 | C4 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| O7 | C16 | sing | 1.43Å | 1.45Å | |
| O6 | C15 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.47Å | |
| C13 | C14 | doub | 1.31Å | 1.30Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.52Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C12 | O5 | sing | 1.43Å | 1.39Å | |
| C15 | C14 | sing | 1.50Å | 1.49Å | |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| O5 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| C11 | O4 | sing | 1.43Å | 1.40Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C14 | H18 | sing | 1.08Å | 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 | 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 | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H19 | sing | 1.10Å | 1.10Å | |
| O6 | 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 | 1.11Å | 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 | 1.10Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | 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 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 113.4° | 110.1° |
| C20 | C21 | C22 | 107.5° | 108.1° |
| C21 | C20 | H27 | 108.5° | 109.5° |
| C21 | C20 | H26 | 108.5° | 109.5° |
| C20 | C21 | H28 | 109.9° | 109.3° |
| C20 | C21 | H29 | 110.0° | 110.3° |
| C20 | C19 | N1 | 109.2° | 111.5° |
| C20 | C19 | C18 | 109.0° | 107.1° |
| C20 | C19 | H25 | 106.7° | 107.7° |
| C19 | C20 | H27 | 108.5° | 109.3° |
| C19 | C20 | H26 | 108.5° | 109.2° |
| C21 | C22 | C23 | 112.6° | 108.8° |
| C22 | C21 | H28 | 110.0° | 109.3° |
| C22 | C21 | H29 | 110.0° | 109.6° |
| C21 | C22 | H30 | 108.7° | 109.3° |
| C21 | C22 | H31 | 108.7° | 109.5° |
| C31 | C30 | C29 | 110.5° | 109.5° |
| C30 | C31 | C26 | 112.6° | 109.5° |
| C31 | C30 | H43 | 109.2° | 109.5° |
| C31 | C30 | H42 | 109.2° | 109.5° |
| C30 | C31 | H44 | 108.7° | 109.4° |
| C30 | C31 | H45 | 108.7° | 109.5° |
| C30 | C29 | C28 | 113.9° | 109.5° |
| C30 | C29 | H41 | 108.4° | 109.5° |
| C30 | C29 | H40 | 108.4° | 109.4° |
| C29 | C30 | H43 | 109.2° | 109.4° |
| C29 | C30 | H42 | 109.2° | 109.5° |
| C22 | C23 | N1 | 115.2° | 111.5° |
| C23 | C22 | H30 | 108.7° | 109.9° |
| C23 | C22 | H31 | 108.7° | 109.6° |
| C22 | C23 | H32 | 108.0° | 108.7° |
| C22 | C23 | H33 | 108.0° | 108.5° |
| C31 | C26 | C25 | 114.9° | 109.5° |
| C31 | C26 | C27 | 110.3° | 109.5° |
| C31 | C26 | H35 | 107.4° | 109.4° |
| C26 | C31 | H44 | 108.7° | 109.5° |
| C26 | C31 | H45 | 108.7° | 109.5° |
| N1 | C19 | C18 | 117.4° | 114.6° |
| C19 | N1 | C23 | 116.3° | 121.0° |
| C19 | N1 | C24 | 120.0° | 121.5° |
| N1 | C19 | H25 | 107.2° | 107.8° |
| C19 | C18 | O8 | 123.8° | 117.5° |
| C19 | C18 | O7 | 113.0° | 123.9° |
| C18 | C19 | H25 | 106.8° | 107.9° |
| C29 | C28 | C27 | 112.4° | 109.5° |
| C29 | C28 | H39 | 108.7° | 109.5° |
| C29 | C28 | H38 | 108.7° | 109.5° |
| C28 | C29 | H41 | 108.4° | 109.5° |
| C28 | C29 | H40 | 108.3° | 109.4° |
| C23 | N1 | C24 | 121.8° | 117.4° |
| N1 | C23 | H32 | 108.0° | 108.9° |
| N1 | C23 | H33 | 108.0° | 109.7° |
| N1 | C24 | O9 | 120.9° | 120.9° |
| N1 | C24 | C25 | 121.1° | 119.6° |
| O9 | C24 | C25 | 117.8° | 119.4° |
| C24 | C25 | C26 | 110.4° | 109.1° |
| C24 | C25 | C4 | 109.3° | 110.9° |
| C24 | C25 | H34 | 108.2° | 110.0° |
| C25 | C26 | C27 | 109.5° | 109.4° |
| C26 | C25 | C4 | 112.5° | 108.4° |
| C26 | C25 | H34 | 108.1° | 109.5° |
| C25 | C26 | H35 | 107.2° | 109.5° |
| C26 | C27 | C28 | 111.6° | 109.5° |
| C27 | C26 | H35 | 107.3° | 109.5° |
| C26 | C27 | H36 | 108.9° | 109.5° |
| C26 | C27 | H37 | 108.9° | 109.5° |
| O8 | C18 | O7 | 123.0° | 118.5° |
| C18 | O7 | C16 | 116.0° | 121.7° |
| C25 | C4 | C5 | 118.4° | 120.7° |
| C25 | C4 | C3 | 123.3° | 119.7° |
| C4 | C25 | H34 | 108.3° | 108.9° |
| C28 | C27 | H36 | 109.0° | 109.4° |
| C28 | C27 | H37 | 109.0° | 109.5° |
| C27 | C28 | H39 | 108.8° | 109.5° |
| C27 | C28 | H38 | 108.8° | 109.5° |
| O7 | C16 | C15 | 109.2° | 114.5° |
| O7 | C16 | C17 | 106.5° | 109.1° |
| O7 | C16 | H21 | 109.7° | 108.4° |
| O6 | C15 | C16 | 108.0° | 109.5° |
| O6 | C15 | C14 | 110.5° | 109.2° |
| O6 | C15 | H19 | 108.6° | 108.7° |
| C15 | O6 | H20 | 109.5° | 114.0° |
| C5 | C4 | C3 | 118.1° | 119.6° |
| C4 | C5 | C6 | 121.0° | 120.4° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.1° | 120.4° |
| C4 | C3 | H4 | 119.9° | 119.5° |
| C12 | C13 | C14 | 124.5° | 120.4° |
| C13 | C12 | O5 | 113.9° | 109.1° |
| C13 | C12 | H16 | 108.4° | 109.5° |
| C13 | C12 | H15 | 108.3° | 109.2° |
| C12 | C13 | H17 | 117.7° | 120.1° |
| C13 | C14 | C15 | 125.9° | 118.9° |
| C13 | C14 | H18 | 117.0° | 120.1° |
| C14 | C13 | H17 | 117.8° | 119.5° |
| C5 | C6 | O3 | 127.7° | 119.6° |
| C5 | C6 | C7 | 120.4° | 119.9° |
| C6 | C5 | H5 | 119.5° | 119.7° |
| C15 | C16 | C17 | 114.1° | 108.6° |
| C16 | C15 | C14 | 114.7° | 112.3° |
| C16 | C15 | H19 | 107.2° | 108.6° |
| C15 | C16 | H21 | 108.6° | 108.5° |
| C17 | C16 | H21 | 108.7° | 107.6° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H24 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C12 | O5 | C10 | 113.6° | 114.6° |
| O5 | C12 | H16 | 108.3° | 109.7° |
| O5 | C12 | H15 | 108.3° | 109.7° |
| C15 | C14 | H18 | 117.0° | 121.0° |
| C14 | C15 | H19 | 107.6° | 108.5° |
| C3 | C2 | C7 | 121.4° | 120.1° |
| C3 | C2 | O1 | 127.1° | 119.9° |
| C2 | C3 | H4 | 120.0° | 120.1° |
| C10 | C9 | O3 | 105.6° | 110.0° |
| C9 | C10 | O5 | 116.5° | 109.7° |
| C9 | C10 | C11 | 117.9° | 109.5° |
| C10 | C9 | H10 | 110.5° | 109.1° |
| C10 | C9 | H9 | 110.4° | 109.7° |
| C9 | C10 | H11 | 107.7° | 109.5° |
| C9 | O3 | C6 | 117.9° | 117.1° |
| O3 | C9 | H10 | 110.4° | 109.4° |
| O3 | C9 | H9 | 110.5° | 109.8° |
| O3 | C6 | C7 | 111.8° | 120.5° |
| C6 | C7 | C2 | 118.8° | 119.6° |
| C6 | C7 | O2 | 121.0° | 120.4° |
| O5 | C10 | C11 | 97.7° | 109.3° |
| O5 | C10 | H11 | 108.7° | 109.1° |
| C10 | C11 | O4 | 101.7° | 109.4° |
| C10 | C11 | H12 | 111.4° | 109.4° |
| C10 | C11 | H13 | 111.4° | 109.5° |
| C11 | C10 | H11 | 107.7° | 109.6° |
| C7 | C2 | O1 | 111.4° | 120.0° |
| C2 | C7 | O2 | 120.2° | 120.1° |
| C2 | O1 | C1 | 114.3° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 117.3° | 117.0° |
| O4 | C11 | H12 | 111.4° | 109.5° |
| O4 | C11 | H13 | 111.4° | 109.5° |
| C11 | O4 | H14 | 109.5° | 114.0° |
| 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 | 109.4° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 108.9° |
| H16 | C12 | H15 | 109.5° | 109.6° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.4° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.5° |
| H24 | C17 | H22 | 109.4° | 109.5° |
| H27 | C20 | H26 | 109.5° | 109.2° |
| H28 | C21 | H29 | 109.5° | 110.2° |
| H30 | C22 | H31 | 109.5° | 109.7° |
| H32 | C23 | H33 | 109.5° | 109.4° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H39 | C28 | H38 | 109.4° | 109.5° |
| H41 | C29 | H40 | 109.5° | 109.5° |
| H43 | C30 | H42 | 109.5° | 109.4° |
| H44 | C31 | H45 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H27 | 120.6° | 120.3° |
| C21 | C20 | C19 | H26 | 120.6° | 120.3° |
| C20 | C21 | C22 | H28 | 119.7° | 118.9° |
| C20 | C21 | C22 | H29 | 119.7° | 120.2° |
| C20 | C21 | C22 | C23 | 52.5° | 64.4° |
| C21 | C20 | C19 | N1 | 58.3° | 49.3° |
| C21 | C20 | C19 | C18 | 71.2° | 175.3° |
| C21 | C20 | C19 | H25 | 173.8° | 68.8° |
| C21 | C20 | H27 | H26 | 118.2° | 119.9° |
| C20 | C21 | H28 | H29 | 120.9° | 121.3° |
| C20 | C21 | C22 | H30 | 173.0° | 55.6° |
| C20 | C21 | C22 | H31 | 67.9° | 175.9° |
| C19 | C20 | C21 | C22 | 60.7° | 63.2° |
| C20 | C19 | N1 | C18 | 124.7° | 121.8° |
| C20 | C19 | N1 | H25 | 115.2° | 118.0° |
| C20 | C19 | C18 | H25 | 114.9° | 115.7° |
| C20 | C19 | N1 | C23 | 47.8° | 40.2° |
| C20 | C19 | N1 | C24 | 147.8° | 143.6° |
| C20 | C19 | C18 | O8 | 61.9° | 58.3° |
| C20 | C19 | C18 | O7 | 122.1° | 116.9° |
| C19 | C20 | H27 | H26 | 118.2° | 119.4° |
| C19 | C20 | C21 | H28 | 59.0° | 177.8° |
| C19 | C20 | C21 | H29 | 179.6° | 56.6° |
| C21 | C22 | C23 | H30 | 120.5° | 119.6° |
| C21 | C22 | C23 | H31 | 120.5° | 119.7° |
| C21 | C22 | C23 | N1 | 45.2° | 52.1° |
| C22 | C21 | C20 | H27 | 59.8° | 56.9° |
| C22 | C21 | C20 | H26 | 178.7° | 176.7° |
| C22 | C21 | H28 | H29 | 120.9° | 120.5° |
| C21 | C22 | H30 | H31 | 118.6° | 120.1° |
| C21 | C22 | C23 | H32 | 75.6° | 68.0° |
| C21 | C22 | C23 | H33 | 166.0° | 173.1° |
| C31 | C30 | C29 | H43 | 120.2° | 120.1° |
| C31 | C30 | C29 | H42 | 120.2° | 120.0° |
| C30 | C31 | C26 | H44 | 120.5° | 119.9° |
| C30 | C31 | C26 | H45 | 120.5° | 120.1° |
| C31 | C30 | C29 | C28 | 52.4° | 60.0° |
| C30 | C31 | C26 | C25 | 178.1° | 180.0° |
| C30 | C31 | C26 | C27 | 53.9° | 60.0° |
| C30 | C31 | C26 | H35 | 62.7° | 60.0° |
| C31 | C30 | C29 | H41 | 68.2° | 180.0° |
| C31 | C30 | C29 | H40 | 173.0° | 60.0° |
| C31 | C30 | H43 | H42 | 119.5° | 120.0° |
| C30 | C31 | H44 | H45 | 118.6° | 120.0° |
| C29 | C30 | C31 | C26 | 52.7° | 60.0° |
| C30 | C29 | C28 | H41 | 120.6° | 120.1° |
| C30 | C29 | C28 | H40 | 120.6° | 119.9° |
| C30 | C29 | C28 | C27 | 54.2° | 60.0° |
| C30 | C29 | C28 | H39 | 174.7° | 60.0° |
| C30 | C29 | C28 | H38 | 66.3° | 180.0° |
| C30 | C29 | H41 | H40 | 118.0° | 120.0° |
| C29 | C30 | H43 | H42 | 119.5° | 119.9° |
| C29 | C30 | C31 | H44 | 173.1° | 60.0° |
| C29 | C30 | C31 | H45 | 67.8° | 180.0° |
| C22 | C23 | N1 | C19 | 43.4° | 42.0° |
| C22 | C23 | N1 | H32 | 120.8° | 120.0° |
| C22 | C23 | N1 | H33 | 120.9° | 120.3° |
| C22 | C23 | N1 | C24 | 152.5° | 141.6° |
| C23 | C22 | C21 | H28 | 67.1° | 176.7° |
| C23 | C22 | C21 | H29 | 172.2° | 55.9° |
| C23 | C22 | H30 | H31 | 118.5° | 120.6° |
| C22 | C23 | H32 | H33 | 117.4° | 118.4° |
| C31 | C26 | C25 | C24 | 65.0° | 176.7° |
| C31 | C26 | C25 | C27 | 124.6° | 120.0° |
| C31 | C26 | C25 | H35 | 119.3° | 120.0° |
| C31 | C26 | C27 | H35 | 116.7° | 120.0° |
| C31 | C26 | C25 | C4 | 172.7° | 55.8° |
| C31 | C26 | C27 | C28 | 54.1° | 60.0° |
| C31 | C26 | C25 | H34 | 53.2° | 62.9° |
| C31 | C26 | C27 | H36 | 174.4° | 179.9° |
| C31 | C26 | C27 | H37 | 66.2° | 60.0° |
| C26 | C31 | C30 | H43 | 172.8° | 60.1° |
| C26 | C31 | C30 | H42 | 67.5° | 180.0° |
| C26 | C31 | H44 | H45 | 118.6° | 120.0° |
| N1 | C19 | C18 | H25 | 120.3° | 120.0° |
| C19 | N1 | C23 | C24 | 164.1° | 176.4° |
| C19 | N1 | C24 | O9 | 8.5° | 17.5° |
| C19 | N1 | C24 | C25 | 165.3° | 163.2° |
| N1 | C19 | C18 | O8 | 173.3° | 65.9° |
| N1 | C19 | C18 | O7 | 2.7° | 118.8° |
| N1 | C19 | C20 | H27 | 62.3° | 71.0° |
| N1 | C19 | C20 | H26 | 178.8° | 169.6° |
| C19 | N1 | C23 | H32 | 77.4° | 78.0° |
| C19 | N1 | C23 | H33 | 164.3° | 162.3° |
| C18 | C19 | N1 | C23 | 76.9° | 162.0° |
| C18 | C19 | N1 | C24 | 87.5° | 21.7° |
| C19 | C18 | O8 | O7 | 175.7° | 175.5° |
| C19 | C18 | O7 | C16 | 175.2° | 138.8° |
| C18 | C19 | C20 | H27 | 168.2° | 55.1° |
| C18 | C19 | C20 | H26 | 49.3° | 64.4° |
| C29 | C28 | C27 | C26 | 54.4° | 60.0° |
| C29 | C28 | C27 | H39 | 120.4° | 120.0° |
| C29 | C28 | C27 | H38 | 120.4° | 120.0° |
| C29 | C28 | C27 | H36 | 174.6° | 179.9° |
| C29 | C28 | C27 | H37 | 66.0° | 60.1° |
| C29 | C28 | H39 | H38 | 118.6° | 120.0° |
| C28 | C29 | H41 | H40 | 118.0° | 120.0° |
| C28 | C29 | C30 | H43 | 172.6° | 60.1° |
| C28 | C29 | C30 | H42 | 67.8° | 180.0° |
| C23 | N1 | C24 | O9 | 172.0° | 166.1° |
| C23 | N1 | C24 | C25 | 1.8° | 13.2° |
| C23 | N1 | C19 | H25 | 163.1° | 77.9° |
| N1 | C23 | C22 | H30 | 165.7° | 67.5° |
| N1 | C23 | C22 | H31 | 75.3° | 171.8° |
| N1 | C23 | H32 | H33 | 117.4° | 119.9° |
| N1 | C24 | O9 | C25 | 173.9° | 179.3° |
| N1 | C24 | C25 | C26 | 150.5° | 68.0° |
| N1 | C24 | C25 | C4 | 85.3° | 172.7° |
| C24 | N1 | C19 | H25 | 32.6° | 98.4° |
| C24 | N1 | C23 | H32 | 86.7° | 98.4° |
| C24 | N1 | C23 | H33 | 31.6° | 21.4° |
| N1 | C24 | C25 | H34 | 32.4° | 52.1° |
| O9 | C24 | C25 | C26 | 35.6° | 112.7° |
| O9 | C24 | C25 | C4 | 88.6° | 6.6° |
| O9 | C24 | C25 | H34 | 153.7° | 127.2° |
| C24 | C25 | C26 | C4 | 122.4° | 120.9° |
| C24 | C25 | C26 | H34 | 118.1° | 120.4° |
| C24 | C25 | C26 | C27 | 170.4° | 56.7° |
| C24 | C25 | C4 | H34 | 117.6° | 121.2° |
| C24 | C25 | C4 | C5 | 123.2° | 56.0° |
| C24 | C25 | C4 | C3 | 61.4° | 125.4° |
| C24 | C25 | C26 | H35 | 54.3° | 63.3° |
| C25 | C26 | C27 | H35 | 116.0° | 120.0° |
| C26 | C25 | C4 | H34 | 119.4° | 119.0° |
| C25 | C26 | C27 | C28 | 178.6° | 180.0° |
| C26 | C25 | C4 | C5 | 113.8° | 63.8° |
| C26 | C25 | C4 | C3 | 61.6° | 114.8° |
| C25 | C26 | C27 | H36 | 58.3° | 60.1° |
| C25 | C26 | C27 | H37 | 61.1° | 60.0° |
| C25 | C26 | C31 | H44 | 61.4° | 60.0° |
| C25 | C26 | C31 | H45 | 57.7° | 60.0° |
| C27 | C26 | C25 | C4 | 48.0° | 64.2° |
| C26 | C27 | C28 | H36 | 120.3° | 119.9° |
| C26 | C27 | C28 | H37 | 120.3° | 120.0° |
| C27 | C26 | C25 | H34 | 71.5° | 177.1° |
| C26 | C27 | H36 | H37 | 119.0° | 120.1° |
| C26 | C27 | C28 | H39 | 174.8° | 60.0° |
| C26 | C27 | C28 | H38 | 66.1° | 180.0° |
| C27 | C26 | C31 | H44 | 174.4° | 60.0° |
| C27 | C26 | C31 | H45 | 66.5° | 180.0° |
| O8 | C18 | O7 | C16 | 8.7° | 36.4° |
| O8 | C18 | C19 | H25 | 53.1° | 174.1° |
| C18 | O7 | C16 | C15 | 104.9° | 100.7° |
| C18 | O7 | C16 | C17 | 131.5° | 137.4° |
| C18 | O7 | C16 | H21 | 14.1° | 20.6° |
| O7 | C18 | C19 | H25 | 123.0° | 1.2° |
| C25 | C4 | C5 | C3 | 175.6° | 178.6° |
| C25 | C4 | C5 | C6 | 178.8° | 177.1° |
| C25 | C4 | C3 | C2 | 175.1° | 177.7° |
| C25 | C4 | C5 | H5 | 1.2° | 3.3° |
| C25 | C4 | C3 | H4 | 4.9° | 1.7° |
| C4 | C25 | C26 | H35 | 68.1° | 175.8° |
| C28 | C27 | C26 | H35 | 62.5° | 60.0° |
| C28 | C27 | H36 | H37 | 119.1° | 120.0° |
| C27 | C28 | H39 | H38 | 118.7° | 120.0° |
| C27 | C28 | C29 | H41 | 66.4° | 180.0° |
| C27 | C28 | C29 | H40 | 174.8° | 60.0° |
| O7 | C16 | C15 | O6 | 65.5° | 86.9° |
| O7 | C16 | C15 | C17 | 119.0° | 122.2° |
| O7 | C16 | C15 | H21 | 119.6° | 121.2° |
| O7 | C16 | C17 | H21 | 118.1° | 117.3° |
| O7 | C16 | C15 | C14 | 58.2° | 34.6° |
| O7 | C16 | C15 | H19 | 177.7° | 154.6° |
| O7 | C16 | C17 | H23 | 180.0° | 65.5° |
| O7 | C16 | C17 | H24 | 60.0° | 54.6° |
| O7 | C16 | C17 | H22 | 60.0° | 174.5° |
| O6 | C15 | C14 | C13 | 9.5° | 68.2° |
| O6 | C15 | C16 | C14 | 123.7° | 121.5° |
| O6 | C15 | C16 | H19 | 116.9° | 118.5° |
| O6 | C15 | C16 | C17 | 175.5° | 151.0° |
| O6 | C15 | C14 | H19 | 118.5° | 118.3° |
| O6 | C15 | C14 | H18 | 170.5° | 111.9° |
| O6 | C15 | C16 | H21 | 54.1° | 34.3° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.4° | 0.9° |
| C4 | C5 | C6 | O3 | 179.4° | 179.3° |
| C4 | C5 | C6 | C7 | 4.2° | 1.0° |
| C5 | C4 | C3 | H4 | 179.6° | 179.7° |
| C5 | C4 | C25 | H34 | 5.6° | 177.2° |
| C3 | C4 | C5 | C6 | 3.1° | 1.5° |
| C4 | C3 | C2 | H4 | 180.0° | 179.4° |
| C4 | C3 | C2 | C7 | 2.8° | 0.3° |
| C4 | C3 | C2 | O1 | 178.7° | 179.4° |
| C3 | C4 | C5 | H5 | 176.9° | 178.1° |
| C3 | C4 | C25 | H34 | 179.0° | 4.2° |
| C12 | C13 | C14 | H17 | 180.0° | 179.9° |
| C13 | C12 | O5 | H16 | 120.7° | 119.9° |
| C13 | C12 | O5 | H15 | 120.7° | 119.6° |
| C12 | C13 | C14 | C15 | 179.0° | 179.8° |
| C13 | C12 | O5 | C10 | 163.9° | 146.7° |
| C12 | C13 | C14 | H18 | 0.9° | 0.1° |
| C13 | C12 | H16 | H15 | 118.0° | 119.8° |
| C13 | C14 | C15 | C16 | 112.9° | 170.1° |
| C14 | C13 | C12 | O5 | 3.8° | 51.2° |
| C13 | C14 | C15 | H18 | 180.0° | 179.9° |
| C14 | C13 | C12 | H16 | 124.5° | 68.9° |
| C14 | C13 | C12 | H15 | 116.8° | 171.1° |
| C13 | C14 | C15 | H19 | 128.0° | 50.0° |
| C5 | C6 | O3 | C9 | 13.7° | 99.8° |
| C5 | C6 | O3 | C7 | 175.5° | 179.6° |
| C5 | C6 | C7 | C2 | 1.8° | 0.1° |
| C5 | C6 | C7 | O2 | 177.1° | 179.7° |
| C15 | C16 | C17 | H21 | 121.3° | 117.2° |
| C16 | C15 | C14 | H19 | 119.2° | 120.1° |
| C16 | C15 | C14 | H18 | 67.2° | 9.7° |
| C16 | C15 | O6 | H20 | 180.0° | 176.6° |
| C15 | C16 | C17 | H23 | 59.4° | 60.0° |
| C15 | C16 | C17 | H24 | 60.6° | 180.0° |
| C15 | C16 | C17 | H22 | 179.5° | 60.0° |
| C17 | C16 | C15 | C14 | 60.8° | 87.6° |
| C17 | C16 | C15 | H19 | 58.6° | 32.5° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| C16 | C17 | H23 | H22 | 120.0° | 120.0° |
| C16 | C17 | H24 | H22 | 120.0° | 120.0° |
| C12 | O5 | C10 | C9 | 92.0° | 148.6° |
| C12 | O5 | C10 | C11 | 141.5° | 91.3° |
| C12 | O5 | C10 | H11 | 29.8° | 28.6° |
| O5 | C12 | H16 | H15 | 118.0° | 120.5° |
| O5 | C12 | C13 | H17 | 176.1° | 128.9° |
| C15 | C14 | C13 | H17 | 1.0° | 0.1° |
| C14 | C15 | O6 | H20 | 53.8° | 60.0° |
| C14 | C15 | C16 | H21 | 177.8° | 155.8° |
| C3 | C2 | C7 | C6 | 1.7° | 0.8° |
| C3 | C2 | C7 | O1 | 176.5° | 179.6° |
| C3 | C2 | O1 | C1 | 0.5° | 0.0° |
| C3 | C2 | C7 | O2 | 179.4° | 179.6° |
| C10 | C9 | O3 | H10 | 119.4° | 119.8° |
| C10 | C9 | O3 | H9 | 119.4° | 120.7° |
| C10 | C9 | O3 | C6 | 113.2° | 138.6° |
| C9 | C10 | O5 | C11 | 126.5° | 120.1° |
| C9 | C10 | O5 | H11 | 121.8° | 120.0° |
| C9 | C10 | C11 | H11 | 121.9° | 120.2° |
| C9 | C10 | C11 | O4 | 74.0° | 175.0° |
| C9 | C10 | C11 | H12 | 44.7° | 55.0° |
| C9 | C10 | C11 | H13 | 167.3° | 65.0° |
| C10 | C9 | H10 | H9 | 121.8° | 119.7° |
| C9 | O3 | C6 | C7 | 170.9° | 79.9° |
| O3 | C9 | C10 | O5 | 53.8° | 87.4° |
| O3 | C9 | C10 | C11 | 61.9° | 32.6° |
| O3 | C9 | H10 | H9 | 121.8° | 120.0° |
| O3 | C9 | C10 | H11 | 176.1° | 152.9° |
| O3 | C6 | C7 | C2 | 177.6° | 179.5° |
| O3 | C6 | C7 | O2 | 1.3° | 0.1° |
| O3 | C6 | C5 | H5 | 0.6° | 1.0° |
| C6 | O3 | C9 | H10 | 127.4° | 101.6° |
| C6 | O3 | C9 | H9 | 6.2° | 17.9° |
| C6 | C7 | C2 | O2 | 178.9° | 179.6° |
| C6 | C7 | C2 | O1 | 178.2° | 178.9° |
| C6 | C7 | O2 | C8 | 83.0° | 90.0° |
| C7 | C6 | C5 | H5 | 175.7° | 178.6° |
| O5 | C10 | C11 | H11 | 112.6° | 119.6° |
| O5 | C10 | C11 | O4 | 160.5° | 64.8° |
| O5 | C10 | C11 | H12 | 80.8° | 175.2° |
| O5 | C10 | C11 | H13 | 41.8° | 55.2° |
| O5 | C10 | C9 | H10 | 173.1° | 152.7° |
| O5 | C10 | C9 | H9 | 65.6° | 33.5° |
| C10 | O5 | C12 | H16 | 75.5° | 93.4° |
| C10 | O5 | C12 | H15 | 43.2° | 27.1° |
| C10 | C11 | O4 | H12 | 118.7° | 120.0° |
| C10 | C11 | O4 | H13 | 118.7° | 120.0° |
| C10 | C11 | H12 | H13 | 123.7° | 120.0° |
| C11 | C10 | C9 | H10 | 57.5° | 87.4° |
| C11 | C10 | C9 | H9 | 178.7° | 153.4° |
| C10 | C11 | O4 | H14 | 180.0° | 180.0° |
| C7 | C2 | O1 | C1 | 176.8° | 179.6° |
| C2 | C7 | O2 | C8 | 98.1° | 89.6° |
| C7 | C2 | C3 | H4 | 177.2° | 179.1° |
| O1 | C2 | C7 | O2 | 2.8° | 0.7° |
| O1 | C2 | C3 | H4 | 1.3° | 1.2° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| 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° |
| O4 | C11 | H12 | H13 | 123.6° | 120.0° |
| O4 | C11 | C10 | H11 | 47.9° | 54.8° |
| 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 | 179.1° | 180.0° |
| H18 | C14 | C15 | H19 | 52.0° | 129.9° |
| H12 | C11 | C10 | H11 | 166.6° | 65.2° |
| H12 | C11 | O4 | H14 | 61.2° | 60.0° |
| H13 | C11 | C10 | H11 | 70.8° | 174.8° |
| H13 | C11 | O4 | H14 | 61.3° | 60.0° |
| H7 | C8 | H8 | H6 | 120.0° | 119.9° |
| H10 | C9 | C10 | H11 | 64.5° | 32.9° |
| H9 | C9 | C10 | H11 | 56.7° | 86.3° |
| H16 | C12 | C13 | H17 | 55.5° | 111.0° |
| H15 | C12 | C13 | H17 | 63.2° | 9.0° |
| H2 | C1 | H3 | H1 | 120.0° | 119.9° |
| H19 | C15 | O6 | H20 | 64.1° | 58.1° |
| H19 | C15 | C16 | H21 | 62.8° | 84.2° |
| H21 | C16 | C17 | H23 | 61.9° | 177.2° |
| H21 | C16 | C17 | H24 | 178.1° | 62.8° |
| H21 | C16 | C17 | H22 | 58.1° | 57.2° |
| H23 | C17 | H24 | H22 | 120.0° | 120.0° |
| H25 | C19 | C20 | H27 | 53.2° | 170.9° |
| H25 | C19 | C20 | H26 | 65.7° | 51.5° |
| H27 | C20 | C21 | H28 | 179.5° | 62.0° |
| H27 | C20 | C21 | H29 | 59.8° | 176.7° |
| H26 | C20 | C21 | H28 | 61.6° | 57.7° |
| H26 | C20 | C21 | H29 | 59.0° | 63.5° |
| H28 | C21 | C22 | H30 | 53.3° | 63.3° |
| H28 | C21 | C22 | H31 | 172.4° | 57.0° |
| H29 | C21 | C22 | H30 | 67.3° | 175.9° |
| H29 | C21 | C22 | H31 | 51.8° | 63.9° |
| H30 | C22 | C23 | H32 | 44.8° | 172.4° |
| H30 | C22 | C23 | H33 | 73.5° | 53.5° |
| H31 | C22 | C23 | H32 | 163.9° | 51.7° |
| H31 | C22 | C23 | H33 | 45.6° | 67.2° |
| H34 | C25 | C26 | H35 | 172.4° | 57.1° |
| H35 | C26 | C27 | H36 | 57.8° | 59.9° |
| H35 | C26 | C27 | H37 | 177.1° | 180.0° |
| H35 | C26 | C31 | H44 | 57.8° | 179.9° |
| H35 | C26 | C31 | H45 | 176.8° | 60.0° |
| H36 | C27 | C28 | H39 | 64.9° | 60.0° |
| H36 | C27 | C28 | H38 | 54.2° | 60.0° |
| H37 | C27 | C28 | H39 | 54.5° | 180.0° |
| H37 | C27 | C28 | H38 | 173.6° | 60.0° |
| H39 | C28 | C29 | H41 | 54.0° | 60.0° |
| H39 | C28 | C29 | H40 | 64.7° | 179.9° |
| H38 | C28 | C29 | H41 | 173.1° | 60.0° |
| H38 | C28 | C29 | H40 | 54.4° | 60.0° |
| H41 | C29 | C30 | H43 | 51.9° | 59.9° |
| H41 | C29 | C30 | H42 | 171.6° | 60.0° |
| H40 | C29 | C30 | H43 | 66.8° | 180.0° |
| H40 | C29 | C30 | H42 | 52.9° | 60.1° |
| H43 | C30 | C31 | H44 | 66.7° | 180.0° |
| H43 | C30 | C31 | H45 | 52.3° | 60.0° |
| H42 | C30 | C31 | H44 | 53.0° | 60.0° |
| H42 | C30 | C31 | H45 | 172.0° | 59.9° |
