A1IOB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.52Å | 1.52Å | |
| C19 | C18 | sing | 1.54Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.52Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.52Å | 1.53Å | |
| C18 | N1 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| O7 | C23 | doub | 1.21Å | 1.24Å | |
| N1 | C23 | sing | 1.35Å | 1.36Å | |
| N1 | C22 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| O6 | C17 | doub | 1.21Å | 1.19Å | |
| C17 | O5 | sing | 1.34Å | 1.33Å | |
| C24 | C4 | sing | 1.50Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| O5 | C16 | sing | 1.45Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | O4 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | O4 | sing | 1.43Å | 1.44Å | |
| C7 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | 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 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| 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 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 112.8° | 109.5° |
| C19 | C20 | C21 | 108.2° | 112.6° |
| C20 | C19 | H27 | 108.6° | 109.5° |
| C20 | C19 | H26 | 108.6° | 109.5° |
| C19 | C20 | H28 | 109.8° | 108.9° |
| C19 | C20 | H29 | 109.8° | 108.9° |
| C19 | C18 | N1 | 110.9° | 109.0° |
| C19 | C18 | C17 | 110.6° | 109.4° |
| C19 | C18 | H25 | 107.9° | 109.4° |
| C18 | C19 | H27 | 108.6° | 109.4° |
| C18 | C19 | H26 | 108.6° | 109.5° |
| C30 | C29 | C28 | 113.4° | 109.4° |
| C29 | C30 | C25 | 112.2° | 109.5° |
| C30 | C29 | H43 | 108.5° | 109.5° |
| C30 | C29 | H42 | 108.5° | 109.5° |
| C29 | C30 | H44 | 108.8° | 109.4° |
| C29 | C30 | H45 | 108.8° | 109.4° |
| C29 | C28 | C27 | 109.6° | 109.5° |
| C29 | C28 | H41 | 109.4° | 109.4° |
| C29 | C28 | H40 | 109.4° | 109.4° |
| C28 | C29 | H43 | 108.5° | 109.4° |
| C28 | C29 | H42 | 108.5° | 109.5° |
| C30 | C25 | C24 | 111.9° | 109.5° |
| C30 | C25 | C26 | 109.4° | 109.4° |
| C30 | C25 | H35 | 108.0° | 109.5° |
| C25 | C30 | H44 | 108.8° | 109.5° |
| C25 | C30 | H45 | 108.8° | 109.5° |
| C20 | C21 | C22 | 112.3° | 112.6° |
| C21 | C20 | H28 | 109.8° | 108.9° |
| C21 | C20 | H29 | 109.8° | 108.8° |
| C20 | C21 | H30 | 108.7° | 108.8° |
| C20 | C21 | H31 | 108.7° | 108.9° |
| C28 | C27 | C26 | 112.6° | 109.5° |
| C28 | C27 | H39 | 108.7° | 109.5° |
| C28 | C27 | H38 | 108.7° | 109.5° |
| C27 | C28 | H41 | 109.4° | 109.5° |
| C27 | C28 | H40 | 109.4° | 109.5° |
| C21 | C22 | N1 | 113.7° | 109.7° |
| C22 | C21 | H30 | 108.8° | 108.8° |
| C22 | C21 | H31 | 108.8° | 108.9° |
| C21 | C22 | H32 | 108.4° | 109.4° |
| C21 | C22 | H33 | 108.4° | 109.4° |
| N1 | C18 | C17 | 110.7° | 109.5° |
| C18 | N1 | C23 | 116.8° | 120.8° |
| C18 | N1 | C22 | 115.3° | 119.4° |
| N1 | C18 | H25 | 108.7° | 109.8° |
| C18 | C17 | O6 | 122.5° | 120.0° |
| C18 | C17 | O5 | 115.8° | 120.2° |
| C17 | C18 | H25 | 107.9° | 109.7° |
| O7 | C23 | N1 | 122.2° | 120.4° |
| O7 | C23 | C24 | 118.4° | 120.4° |
| C23 | N1 | C22 | 127.0° | 119.8° |
| N1 | C23 | C24 | 119.1° | 119.2° |
| N1 | C22 | H32 | 108.4° | 109.4° |
| N1 | C22 | H33 | 108.4° | 109.5° |
| C23 | C24 | C25 | 109.0° | 109.3° |
| C23 | C24 | C4 | 111.8° | 110.5° |
| C23 | C24 | H34 | 109.2° | 109.3° |
| C24 | C25 | C26 | 111.7° | 109.5° |
| C25 | C24 | C4 | 109.2° | 109.3° |
| C25 | C24 | H34 | 108.7° | 109.2° |
| C24 | C25 | H35 | 107.8° | 109.5° |
| C25 | C26 | C27 | 111.5° | 109.5° |
| C26 | C25 | H35 | 108.0° | 109.5° |
| C25 | C26 | H36 | 108.9° | 109.4° |
| C25 | C26 | H37 | 109.0° | 109.5° |
| O6 | C17 | O5 | 121.6° | 119.9° |
| C17 | O5 | C16 | 112.9° | 117.0° |
| C24 | C4 | C5 | 121.7° | 120.8° |
| C24 | C4 | C3 | 119.5° | 119.1° |
| C4 | C24 | H34 | 108.9° | 109.3° |
| C27 | C26 | H36 | 109.0° | 109.5° |
| C27 | C26 | H37 | 109.0° | 109.5° |
| C26 | C27 | H39 | 108.7° | 109.5° |
| C26 | C27 | H38 | 108.6° | 109.5° |
| O5 | C16 | C15 | 117.2° | 109.5° |
| O5 | C16 | H24 | 107.5° | 109.5° |
| O5 | C16 | H23 | 107.5° | 109.5° |
| C5 | C4 | C3 | 118.7° | 120.1° |
| C4 | C5 | C6 | 120.5° | 120.2° |
| C4 | C5 | H5 | 119.7° | 119.9° |
| C4 | C3 | C2 | 121.0° | 120.1° |
| C4 | C3 | H4 | 119.5° | 119.9° |
| C5 | C6 | C7 | 120.8° | 119.9° |
| C5 | C6 | O3 | 124.4° | 120.9° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C3 | C2 | C7 | 120.9° | 119.9° |
| C3 | C2 | O1 | 125.0° | 120.0° |
| C2 | C3 | H4 | 119.5° | 120.0° |
| C16 | C15 | C14 | 115.2° | 109.5° |
| C16 | C15 | H22 | 108.0° | 109.5° |
| C16 | C15 | H21 | 108.0° | 109.4° |
| C15 | C16 | H24 | 107.5° | 109.5° |
| C15 | C16 | H23 | 107.5° | 109.4° |
| C10 | C11 | O4 | 108.8° | 109.1° |
| C11 | C10 | C9 | 113.5° | 109.3° |
| C10 | C11 | H13 | 109.6° | 109.5° |
| C10 | C11 | H14 | 109.6° | 109.6° |
| C11 | C10 | H12 | 108.4° | 109.5° |
| C11 | C10 | H11 | 108.5° | 109.5° |
| C11 | O4 | C12 | 109.7° | 113.9° |
| O4 | C11 | H13 | 109.6° | 109.5° |
| O4 | C11 | H14 | 109.6° | 109.5° |
| C15 | C14 | C13 | 112.4° | 109.5° |
| C15 | C14 | H20 | 108.8° | 109.4° |
| C15 | C14 | H19 | 108.8° | 109.5° |
| C14 | C15 | H22 | 108.0° | 109.5° |
| C14 | C15 | H21 | 108.0° | 109.5° |
| C14 | C13 | C12 | 114.9° | 109.5° |
| C13 | C14 | H20 | 108.7° | 109.4° |
| C13 | C14 | H19 | 108.7° | 109.5° |
| C14 | C13 | H18 | 108.1° | 109.5° |
| C14 | C13 | H17 | 108.1° | 109.4° |
| C10 | C9 | O3 | 108.1° | 109.3° |
| C10 | C9 | H10 | 109.8° | 109.6° |
| C10 | C9 | H9 | 109.8° | 109.5° |
| C9 | C10 | H12 | 108.5° | 109.5° |
| C9 | C10 | H11 | 108.4° | 109.5° |
| C7 | C6 | O3 | 114.8° | 119.2° |
| C6 | C7 | C2 | 118.0° | 119.8° |
| C6 | C7 | O2 | 122.0° | 120.1° |
| C6 | O3 | C9 | 117.2° | 117.9° |
| C7 | C2 | O1 | 114.1° | 120.1° |
| C2 | C7 | O2 | 120.0° | 120.1° |
| C2 | O1 | C1 | 118.6° | 117.0° |
| O3 | C9 | H10 | 109.8° | 109.5° |
| O3 | C9 | H9 | 109.8° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| C13 | C12 | O4 | 108.3° | 109.4° |
| C13 | C12 | H16 | 109.8° | 109.5° |
| C13 | C12 | H15 | 109.8° | 109.5° |
| C12 | C13 | H18 | 108.1° | 109.5° |
| C12 | C13 | H17 | 108.1° | 109.4° |
| O4 | C12 | H16 | 109.8° | 109.4° |
| O4 | C12 | H15 | 109.8° | 109.5° |
| C7 | O2 | C8 | 117.5° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| H20 | C14 | H19 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.6° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.4° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H12 | C10 | H11 | 109.5° | 109.5° |
| H16 | C12 | H15 | 109.4° | 109.5° |
| H18 | C13 | H17 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H22 | C15 | H21 | 109.4° | 109.5° |
| H24 | C16 | H23 | 109.5° | 109.5° |
| H27 | C19 | H26 | 109.4° | 109.5° |
| H28 | C20 | H29 | 109.5° | 108.7° |
| H30 | C21 | H31 | 109.4° | 108.8° |
| H32 | C22 | H33 | 109.5° | 109.4° |
| H36 | C26 | H37 | 109.4° | 109.5° |
| H39 | C27 | H38 | 109.5° | 109.4° |
| H41 | C28 | H40 | 109.5° | 109.5° |
| H43 | C29 | H42 | 109.5° | 109.5° |
| H44 | C30 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H27 | 120.5° | 120.0° |
| C20 | C19 | C18 | H26 | 120.5° | 120.1° |
| C19 | C20 | C21 | H28 | 119.8° | 120.8° |
| C19 | C20 | C21 | H29 | 119.8° | 120.8° |
| C19 | C20 | C21 | C22 | 55.3° | 2.8° |
| C20 | C19 | C18 | N1 | 54.7° | 55.2° |
| C20 | C19 | C18 | C17 | 68.5° | 174.9° |
| C20 | C19 | C18 | H25 | 173.7° | 64.9° |
| C20 | C19 | H27 | H26 | 118.5° | 120.1° |
| C19 | C20 | H28 | H29 | 120.6° | 118.5° |
| C19 | C20 | C21 | H30 | 175.7° | 118.0° |
| C19 | C20 | C21 | H31 | 65.2° | 123.6° |
| C18 | C19 | C20 | C21 | 58.5° | 55.4° |
| C19 | C18 | N1 | C17 | 123.1° | 119.6° |
| C19 | C18 | N1 | H25 | 118.5° | 119.8° |
| C19 | C18 | C17 | H25 | 117.8° | 120.0° |
| C19 | C18 | N1 | C23 | 142.0° | 177.1° |
| C19 | C18 | N1 | C22 | 47.9° | 2.6° |
| C19 | C18 | C17 | O6 | 52.3° | 79.0° |
| C19 | C18 | C17 | O5 | 123.5° | 101.0° |
| C18 | C19 | H27 | H26 | 118.4° | 120.0° |
| C18 | C19 | C20 | H28 | 61.2° | 176.3° |
| C18 | C19 | C20 | H29 | 178.3° | 65.4° |
| C30 | C29 | C28 | H43 | 120.6° | 119.9° |
| C30 | C29 | C28 | H42 | 120.6° | 120.1° |
| C29 | C30 | C25 | H44 | 120.4° | 120.0° |
| C29 | C30 | C25 | H45 | 120.4° | 119.9° |
| C30 | C29 | C28 | C27 | 53.7° | 59.9° |
| C29 | C30 | C25 | C24 | 178.3° | 180.0° |
| C29 | C30 | C25 | C26 | 54.0° | 60.0° |
| C29 | C30 | C25 | H35 | 63.3° | 60.0° |
| C30 | C29 | C28 | H41 | 66.3° | 180.0° |
| C30 | C29 | C28 | H40 | 173.8° | 60.1° |
| C30 | C29 | H43 | H42 | 118.2° | 120.0° |
| C29 | C30 | H44 | H45 | 118.8° | 119.9° |
| C28 | C29 | C30 | C25 | 55.1° | 60.0° |
| C29 | C28 | C27 | H41 | 120.0° | 120.0° |
| C29 | C28 | C27 | H40 | 120.0° | 120.0° |
| C29 | C28 | C27 | C26 | 54.4° | 60.0° |
| C29 | C28 | C27 | H39 | 174.9° | 60.0° |
| C29 | C28 | C27 | H38 | 66.0° | 180.0° |
| C29 | C28 | H41 | H40 | 119.9° | 119.9° |
| C28 | C29 | H43 | H42 | 118.2° | 120.0° |
| C28 | C29 | C30 | H44 | 175.5° | 60.1° |
| C28 | C29 | C30 | H45 | 65.3° | 180.0° |
| C30 | C25 | C24 | C23 | 67.5° | 150.0° |
| C30 | C25 | C24 | C26 | 123.0° | 119.9° |
| C30 | C25 | C24 | H35 | 118.6° | 120.1° |
| C30 | C25 | C26 | H35 | 117.3° | 120.0° |
| C30 | C25 | C24 | C4 | 170.1° | 89.0° |
| C30 | C25 | C26 | C27 | 54.7° | 60.0° |
| C30 | C25 | C24 | H34 | 51.4° | 30.5° |
| C30 | C25 | C26 | H36 | 175.1° | 180.0° |
| C30 | C25 | C26 | H37 | 65.6° | 60.0° |
| C25 | C30 | C29 | H43 | 175.7° | 59.9° |
| C25 | C30 | C29 | H42 | 65.5° | 179.9° |
| C25 | C30 | H44 | H45 | 118.7° | 120.0° |
| C20 | C21 | C22 | H30 | 120.4° | 120.8° |
| C20 | C21 | C22 | H31 | 120.4° | 120.8° |
| C20 | C21 | C22 | N1 | 50.3° | 47.9° |
| C21 | C20 | C19 | H27 | 62.0° | 64.5° |
| C21 | C20 | C19 | H26 | 179.1° | 175.4° |
| C21 | C20 | H28 | H29 | 120.6° | 118.4° |
| C20 | C21 | H30 | H31 | 118.7° | 118.5° |
| C20 | C21 | C22 | H32 | 70.3° | 168.0° |
| C20 | C21 | C22 | H33 | 171.0° | 72.2° |
| C28 | C27 | C26 | C25 | 56.6° | 60.0° |
| C28 | C27 | C26 | H39 | 120.5° | 120.0° |
| C28 | C27 | C26 | H38 | 120.5° | 120.0° |
| C28 | C27 | C26 | H36 | 176.9° | 180.0° |
| C28 | C27 | C26 | H37 | 63.7° | 60.0° |
| C28 | C27 | H39 | H38 | 118.6° | 120.0° |
| C27 | C28 | H41 | H40 | 119.9° | 120.0° |
| C27 | C28 | C29 | H43 | 174.3° | 60.0° |
| C27 | C28 | C29 | H42 | 66.9° | 180.0° |
| C21 | C22 | N1 | C18 | 46.5° | 49.6° |
| C21 | C22 | N1 | C23 | 144.7° | 130.7° |
| C21 | C22 | N1 | H32 | 120.6° | 120.0° |
| C21 | C22 | N1 | H33 | 120.6° | 120.1° |
| C22 | C21 | C20 | H28 | 64.5° | 123.6° |
| C22 | C21 | C20 | H29 | 175.1° | 118.1° |
| C22 | C21 | H30 | H31 | 118.7° | 118.5° |
| C21 | C22 | H32 | H33 | 118.1° | 119.9° |
| N1 | C18 | C17 | H25 | 118.9° | 120.6° |
| C18 | N1 | C23 | O7 | 1.7° | 1.8° |
| C18 | N1 | C23 | C22 | 168.7° | 179.7° |
| C18 | N1 | C23 | C24 | 171.6° | 178.1° |
| N1 | C18 | C17 | O6 | 175.7° | 40.3° |
| N1 | C18 | C17 | O5 | 0.1° | 139.7° |
| N1 | C18 | C19 | H27 | 65.8° | 64.8° |
| N1 | C18 | C19 | H26 | 175.2° | 175.2° |
| C18 | N1 | C22 | H32 | 74.2° | 169.7° |
| C18 | N1 | C22 | H33 | 167.1° | 70.5° |
| C17 | C18 | N1 | C23 | 94.8° | 57.5° |
| C17 | C18 | N1 | C22 | 75.2° | 122.2° |
| C18 | C17 | O6 | O5 | 175.6° | 180.0° |
| C18 | C17 | O5 | C16 | 171.2° | 179.9° |
| C17 | C18 | C19 | H27 | 171.0° | 54.9° |
| C17 | C18 | C19 | H26 | 52.1° | 65.1° |
| O7 | C23 | N1 | C24 | 173.3° | 179.9° |
| O7 | C23 | N1 | C22 | 170.4° | 178.5° |
| O7 | C23 | C24 | C25 | 26.1° | 123.4° |
| O7 | C23 | C24 | C4 | 94.6° | 3.2° |
| O7 | C23 | C24 | H34 | 144.7° | 117.1° |
| N1 | C23 | C24 | C25 | 160.3° | 56.6° |
| N1 | C23 | C24 | C4 | 79.0° | 176.9° |
| C23 | N1 | C18 | H25 | 23.5° | 63.1° |
| C23 | N1 | C22 | H32 | 94.6° | 10.7° |
| C23 | N1 | C22 | H33 | 24.1° | 109.2° |
| N1 | C23 | C24 | H34 | 41.7° | 62.8° |
| C22 | N1 | C23 | C24 | 2.9° | 1.6° |
| C22 | N1 | C18 | H25 | 166.4° | 117.2° |
| N1 | C22 | C21 | H30 | 170.8° | 168.6° |
| N1 | C22 | C21 | H31 | 70.1° | 72.9° |
| N1 | C22 | H32 | H33 | 118.1° | 119.9° |
| C23 | C24 | C25 | C4 | 122.4° | 121.0° |
| C23 | C24 | C25 | H34 | 118.9° | 119.5° |
| C23 | C24 | C25 | C26 | 169.6° | 90.1° |
| C23 | C24 | C4 | H34 | 120.8° | 120.3° |
| C23 | C24 | C4 | C5 | 130.8° | 21.0° |
| C23 | C24 | C4 | C3 | 52.3° | 159.4° |
| C23 | C24 | C25 | H35 | 51.1° | 29.9° |
| C24 | C25 | C26 | H35 | 118.3° | 120.0° |
| C25 | C24 | C4 | H34 | 118.6° | 119.4° |
| C24 | C25 | C26 | C27 | 179.1° | 180.0° |
| C25 | C24 | C4 | C5 | 108.6° | 141.3° |
| C25 | C24 | C4 | C3 | 68.3° | 39.1° |
| C24 | C25 | C26 | H36 | 60.6° | 60.0° |
| C24 | C25 | C26 | H37 | 58.8° | 60.0° |
| C24 | C25 | C30 | H44 | 61.3° | 60.0° |
| C24 | C25 | C30 | H45 | 57.9° | 60.1° |
| C26 | C25 | C24 | C4 | 47.2° | 31.0° |
| C25 | C26 | C27 | H36 | 120.3° | 119.9° |
| C25 | C26 | C27 | H37 | 120.3° | 120.0° |
| C26 | C25 | C24 | H34 | 71.5° | 150.4° |
| C25 | C26 | H36 | H37 | 119.1° | 120.0° |
| C25 | C26 | C27 | H39 | 177.1° | 60.0° |
| C25 | C26 | C27 | H38 | 63.9° | 180.0° |
| C26 | C25 | C30 | H44 | 174.4° | 60.0° |
| C26 | C25 | C30 | H45 | 66.4° | 180.0° |
| O6 | C17 | O5 | C16 | 4.7° | 0.1° |
| O6 | C17 | C18 | H25 | 65.5° | 161.0° |
| C17 | O5 | C16 | C15 | 159.6° | 173.3° |
| C17 | O5 | C16 | H24 | 79.3° | 53.3° |
| C17 | O5 | C16 | H23 | 38.5° | 66.7° |
| O5 | C17 | C18 | H25 | 118.7° | 19.0° |
| C24 | C4 | C5 | C3 | 176.9° | 179.6° |
| C24 | C4 | C5 | C6 | 177.6° | 179.1° |
| C24 | C4 | C3 | C2 | 177.0° | 179.4° |
| C24 | C4 | C5 | H5 | 2.4° | 0.9° |
| C24 | C4 | C3 | H4 | 3.0° | 0.7° |
| C4 | C24 | C25 | H35 | 71.3° | 150.9° |
| C27 | C26 | C25 | H35 | 62.5° | 60.0° |
| C27 | C26 | H36 | H37 | 119.1° | 120.0° |
| C26 | C27 | H39 | H38 | 118.5° | 120.0° |
| C26 | C27 | C28 | H41 | 65.6° | 180.0° |
| C26 | C27 | C28 | H40 | 174.5° | 60.0° |
| O5 | C16 | C15 | H24 | 121.1° | 120.0° |
| O5 | C16 | C15 | H23 | 121.1° | 120.0° |
| O5 | C16 | C15 | C14 | 60.2° | 163.5° |
| O5 | C16 | C15 | H22 | 60.7° | 76.5° |
| O5 | C16 | C15 | H21 | 179.0° | 43.5° |
| O5 | C16 | H24 | H23 | 116.5° | 120.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C4 | C5 | C6 | C7 | 0.7° | 0.4° |
| C4 | C5 | C6 | O3 | 178.4° | 179.6° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C5 | C4 | C24 | H34 | 10.0° | 99.3° |
| C3 | C4 | C5 | C6 | 0.7° | 0.5° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.6° | 0.1° |
| C4 | C3 | C2 | O1 | 179.2° | 179.9° |
| C3 | C4 | C5 | H5 | 179.3° | 179.5° |
| C3 | C4 | C24 | H34 | 173.1° | 80.3° |
| C5 | C6 | C7 | O3 | 179.2° | 179.9° |
| C5 | C6 | C7 | C2 | 0.0° | 0.1° |
| C5 | C6 | O3 | C9 | 19.4° | 1.7° |
| C5 | C6 | C7 | O2 | 180.0° | 179.9° |
| C3 | C2 | C7 | C6 | 0.6° | 0.2° |
| C3 | C2 | C7 | O1 | 179.8° | 180.0° |
| C3 | C2 | O1 | C1 | 5.4° | 0.0° |
| C3 | C2 | C7 | O2 | 179.3° | 179.8° |
| C16 | C15 | C14 | H22 | 120.8° | 120.0° |
| C16 | C15 | C14 | H21 | 120.9° | 119.9° |
| C16 | C15 | C14 | C13 | 135.4° | 124.3° |
| C16 | C15 | C14 | H20 | 104.2° | 4.3° |
| C16 | C15 | C14 | H19 | 15.0° | 115.7° |
| C16 | C15 | H22 | H21 | 117.4° | 120.0° |
| C15 | C16 | H24 | H23 | 116.5° | 120.0° |
| C10 | C11 | O4 | H13 | 119.9° | 119.9° |
| C10 | C11 | O4 | H14 | 119.9° | 119.9° |
| C11 | C10 | C9 | H12 | 120.6° | 120.0° |
| C11 | C10 | C9 | H11 | 120.6° | 119.9° |
| C11 | C10 | C9 | O3 | 33.8° | 136.4° |
| C10 | C11 | O4 | C12 | 177.8° | 158.6° |
| C10 | C11 | H13 | H14 | 120.3° | 120.2° |
| C11 | C10 | C9 | H10 | 153.5° | 16.4° |
| C11 | C10 | C9 | H9 | 86.0° | 103.7° |
| C11 | C10 | H12 | H11 | 118.2° | 120.1° |
| O4 | C11 | C10 | C9 | 92.6° | 97.3° |
| C11 | O4 | C12 | C13 | 94.3° | 165.8° |
| O4 | C11 | H13 | H14 | 120.3° | 120.1° |
| O4 | C11 | C10 | H12 | 28.0° | 22.7° |
| O4 | C11 | C10 | H11 | 146.8° | 142.8° |
| C11 | O4 | C12 | H16 | 145.9° | 74.3° |
| C11 | O4 | C12 | H15 | 25.6° | 45.8° |
| C15 | C14 | C13 | H20 | 120.5° | 119.9° |
| C15 | C14 | C13 | H19 | 120.4° | 120.1° |
| C15 | C14 | C13 | C12 | 176.5° | 111.8° |
| C15 | C14 | H20 | H19 | 118.7° | 120.0° |
| C15 | C14 | C13 | H18 | 55.7° | 8.2° |
| C15 | C14 | C13 | H17 | 62.7° | 128.2° |
| C14 | C15 | H22 | H21 | 117.4° | 120.0° |
| C14 | C15 | C16 | H24 | 178.7° | 43.5° |
| C14 | C15 | C16 | H23 | 61.0° | 76.6° |
| C14 | C13 | C12 | H18 | 120.8° | 120.0° |
| C14 | C13 | C12 | H17 | 120.8° | 120.0° |
| C14 | C13 | C12 | O4 | 158.7° | 127.8° |
| C13 | C14 | H20 | H19 | 118.6° | 120.0° |
| C14 | C13 | C12 | H16 | 81.4° | 112.2° |
| C14 | C13 | C12 | H15 | 38.9° | 7.8° |
| C14 | C13 | H18 | H17 | 117.6° | 120.0° |
| C13 | C14 | C15 | H22 | 14.6° | 115.7° |
| C13 | C14 | C15 | H21 | 103.7° | 4.3° |
| C10 | C9 | O3 | C6 | 107.7° | 172.4° |
| C10 | C9 | O3 | H10 | 119.8° | 120.0° |
| C10 | C9 | O3 | H9 | 119.8° | 120.0° |
| C9 | C10 | C11 | H13 | 27.3° | 22.6° |
| C9 | C10 | C11 | H14 | 147.5° | 142.9° |
| C10 | C9 | H10 | H9 | 120.6° | 120.1° |
| C9 | C10 | H12 | H11 | 118.2° | 120.1° |
| C6 | C7 | C2 | O2 | 180.0° | 180.0° |
| C6 | C7 | C2 | O1 | 179.2° | 179.8° |
| C7 | C6 | O3 | C9 | 161.5° | 178.2° |
| C6 | C7 | O2 | C8 | 71.3° | 90.0° |
| C7 | C6 | C5 | H5 | 179.3° | 179.6° |
| O3 | C6 | C7 | C2 | 179.1° | 180.0° |
| O3 | C6 | C7 | O2 | 0.9° | 0.0° |
| O3 | C6 | C5 | H5 | 1.6° | 0.4° |
| C6 | O3 | C9 | H10 | 132.5° | 67.6° |
| C6 | O3 | C9 | H9 | 12.1° | 52.4° |
| C7 | C2 | O1 | C1 | 174.8° | 180.0° |
| C2 | C7 | O2 | C8 | 108.7° | 90.0° |
| C7 | C2 | C3 | H4 | 179.4° | 179.9° |
| O1 | C2 | C7 | O2 | 0.8° | 0.2° |
| O1 | C2 | C3 | H4 | 0.8° | 0.1° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O3 | C9 | H10 | H9 | 120.6° | 120.0° |
| O3 | C9 | C10 | H12 | 86.8° | 103.6° |
| O3 | C9 | C10 | H11 | 154.4° | 16.5° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C13 | C12 | O4 | H16 | 119.8° | 119.9° |
| C13 | C12 | O4 | H15 | 119.8° | 120.0° |
| C12 | C13 | C14 | H20 | 63.1° | 8.1° |
| C12 | C13 | C14 | H19 | 56.0° | 128.1° |
| C13 | C12 | H16 | H15 | 120.5° | 120.0° |
| C12 | C13 | H18 | H17 | 117.5° | 120.0° |
| C12 | O4 | C11 | H13 | 62.3° | 38.7° |
| C12 | O4 | C11 | H14 | 57.9° | 81.5° |
| O4 | C12 | H16 | H15 | 120.6° | 120.1° |
| O4 | C12 | C13 | H18 | 37.9° | 7.8° |
| O4 | C12 | C13 | H17 | 80.5° | 112.2° |
| C7 | O2 | C8 | H7 | 180.0° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H20 | C14 | C13 | H18 | 176.1° | 128.1° |
| H20 | C14 | C13 | H17 | 57.7° | 111.8° |
| H20 | C14 | C15 | H22 | 135.0° | 124.4° |
| H20 | C14 | C15 | H21 | 16.7° | 115.6° |
| H19 | C14 | C13 | H18 | 64.8° | 111.9° |
| H19 | C14 | C13 | H17 | 176.8° | 8.2° |
| H19 | C14 | C15 | H22 | 105.9° | 4.4° |
| H19 | C14 | C15 | H21 | 135.8° | 124.4° |
| H13 | C11 | C10 | H12 | 147.9° | 142.6° |
| H13 | C11 | C10 | H11 | 93.3° | 97.3° |
| H14 | C11 | C10 | H12 | 91.9° | 97.1° |
| H14 | C11 | C10 | H11 | 26.9° | 23.0° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H12 | 33.0° | 136.4° |
| H10 | C9 | C10 | H11 | 85.8° | 103.5° |
| H9 | C9 | C10 | H12 | 153.4° | 16.3° |
| H9 | C9 | C10 | H11 | 34.6° | 136.4° |
| H16 | C12 | C13 | H18 | 157.7° | 127.7° |
| H16 | C12 | C13 | H17 | 39.4° | 7.7° |
| H15 | C12 | C13 | H18 | 82.0° | 112.2° |
| H15 | C12 | C13 | H17 | 159.7° | 127.8° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H22 | C15 | C16 | H24 | 60.4° | 163.5° |
| H22 | C15 | C16 | H23 | 178.2° | 43.5° |
| H21 | C15 | C16 | H24 | 57.9° | 76.5° |
| H21 | C15 | C16 | H23 | 59.9° | 163.4° |
| H25 | C18 | C19 | H27 | 53.2° | 175.1° |
| H25 | C18 | C19 | H26 | 65.7° | 55.1° |
| H27 | C19 | C20 | H28 | 178.2° | 56.3° |
| H27 | C19 | C20 | H29 | 57.8° | 174.7° |
| H26 | C19 | C20 | H28 | 59.3° | 63.7° |
| H26 | C19 | C20 | H29 | 61.2° | 54.6° |
| H28 | C20 | C21 | H30 | 55.9° | 2.9° |
| H28 | C20 | C21 | H31 | 175.0° | 115.6° |
| H29 | C20 | C21 | H30 | 64.5° | 121.2° |
| H29 | C20 | C21 | H31 | 54.6° | 2.7° |
| H30 | C21 | C22 | H32 | 50.1° | 71.3° |
| H30 | C21 | C22 | H33 | 68.6° | 48.5° |
| H31 | C21 | C22 | H32 | 169.3° | 47.2° |
| H31 | C21 | C22 | H33 | 50.5° | 167.0° |
| H34 | C24 | C25 | H35 | 170.0° | 89.6° |
| H35 | C25 | C26 | H36 | 57.8° | 60.0° |
| H35 | C25 | C26 | H37 | 177.1° | 180.0° |
| H35 | C25 | C30 | H44 | 57.1° | 180.0° |
| H35 | C25 | C30 | H45 | 176.3° | 60.0° |
| H36 | C26 | C27 | H39 | 62.6° | 59.9° |
| H36 | C26 | C27 | H38 | 56.4° | 60.0° |
| H37 | C26 | C27 | H39 | 56.8° | 180.0° |
| H37 | C26 | C27 | H38 | 175.8° | 60.1° |
| H39 | C27 | C28 | H41 | 54.9° | 60.0° |
| H39 | C27 | C28 | H40 | 65.0° | 180.0° |
| H38 | C27 | C28 | H41 | 174.0° | 60.0° |
| H38 | C27 | C28 | H40 | 54.0° | 60.0° |
| H41 | C28 | C29 | H43 | 54.3° | 60.0° |
| H41 | C28 | C29 | H42 | 173.1° | 60.0° |
| H40 | C28 | C29 | H43 | 65.7° | 180.0° |
| H40 | C28 | C29 | H42 | 53.2° | 60.0° |
| H43 | C29 | C30 | H44 | 64.0° | 180.0° |
| H43 | C29 | C30 | H45 | 55.2° | 60.0° |
| H42 | C29 | C30 | H44 | 54.9° | 60.0° |
| H42 | C29 | C30 | H45 | 174.1° | 60.0° |
