A1IX1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C30 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.36Å | |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C28 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C24 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | O3 | sing | 1.36Å | 1.35Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.46Å | 1.57Å | |
| C2 | C8 | sing | 1.54Å | 1.55Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C20 | O4 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | O4 | sing | 1.36Å | 1.37Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | O5 | sing | 1.34Å | 1.35Å | |
| C25 | O6 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | sing | 1.36Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C4 | C5 | sing | 1.50Å | 1.56Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.50Å | 1.54Å | |
| C9 | O2 | sing | 1.43Å | 1.45Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C11 | HC11 | sing | 1.08Å | 1.08Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C15 | HC15 | sing | 1.09Å | 1.10Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C23 | HC23 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C27 | HC27 | sing | 1.08Å | 1.08Å | |
| C29 | HC29 | sing | 1.08Å | 1.08Å | |
| C30 | HC30 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C1 | N1 | 124.8° | 120.0° |
| C9 | C1 | O1 | 111.7° | 120.0° |
| C1 | C9 | O2 | 111.4° | 109.5° |
| C1 | C9 | H91 | 109.0° | 109.5° |
| C1 | C9 | H92 | 109.0° | 109.5° |
| N1 | C1 | O1 | 123.6° | 120.0° |
| C1 | N1 | C2 | 125.2° | 120.0° |
| C1 | N1 | HN1 | 117.4° | 120.0° |
| C11 | C10 | C30 | 119.4° | 120.8° |
| C11 | C10 | O2 | 126.2° | 119.6° |
| C10 | C11 | C12 | 120.4° | 119.6° |
| C10 | C11 | HC11 | 119.8° | 120.2° |
| C30 | C10 | O2 | 114.4° | 119.6° |
| C10 | C30 | C29 | 120.7° | 121.0° |
| C10 | C30 | HC30 | 119.7° | 119.5° |
| C10 | O2 | C9 | 118.1° | 117.0° |
| C11 | C12 | C13 | 123.0° | 121.2° |
| C11 | C12 | C28 | 118.0° | 119.4° |
| C12 | C11 | HC11 | 119.8° | 120.2° |
| C13 | C12 | C28 | 119.0° | 119.3° |
| C12 | C13 | C14 | 120.8° | 119.7° |
| C12 | C13 | HC13 | 119.6° | 120.2° |
| C12 | C28 | C27 | 118.1° | 119.4° |
| C12 | C28 | C29 | 120.6° | 119.4° |
| C13 | C14 | C15 | 123.9° | 119.6° |
| C13 | C14 | C26 | 119.8° | 121.0° |
| C14 | C13 | HC13 | 119.6° | 120.1° |
| C15 | C14 | C26 | 116.3° | 119.5° |
| C14 | C15 | C16 | 117.7° | 109.5° |
| C14 | C15 | C24 | 112.5° | 109.5° |
| C14 | C15 | HC15 | 104.8° | 109.5° |
| C14 | C26 | C27 | 120.7° | 121.0° |
| C14 | C26 | HC26 | 119.6° | 119.5° |
| C16 | C15 | C24 | 111.1° | 109.5° |
| C15 | C16 | C17 | 117.7° | 119.9° |
| C15 | C16 | C23 | 121.9° | 120.0° |
| C16 | C15 | HC15 | 104.6° | 109.4° |
| C15 | C24 | C25 | 111.3° | 109.4° |
| C24 | C15 | HC15 | 104.6° | 109.5° |
| C15 | C24 | H242 | 109.0° | 109.5° |
| C15 | C24 | H241 | 109.0° | 109.5° |
| C17 | C16 | C23 | 120.4° | 120.1° |
| C16 | C17 | C18 | 116.8° | 120.1° |
| C16 | C17 | HC17 | 121.6° | 120.0° |
| C16 | C23 | C22 | 122.2° | 120.2° |
| C16 | C23 | HC23 | 118.9° | 120.0° |
| C17 | C18 | C21 | 123.3° | 119.8° |
| C17 | C18 | O3 | 117.3° | 119.4° |
| C18 | C17 | HC17 | 121.6° | 119.9° |
| C21 | C18 | O3 | 119.4° | 120.8° |
| C18 | C21 | C22 | 120.0° | 119.9° |
| C18 | C21 | O4 | 122.7° | 120.8° |
| C18 | O3 | C19 | 105.6° | 116.7° |
| C20 | C19 | O3 | 109.4° | 108.3° |
| C19 | C20 | O4 | 114.6° | 108.3° |
| C20 | C19 | H191 | 109.5° | 109.7° |
| C20 | C19 | H192 | 109.5° | 109.7° |
| C19 | C20 | H202 | 108.2° | 109.7° |
| C19 | C20 | H201 | 108.2° | 109.7° |
| O3 | C19 | H191 | 109.5° | 109.7° |
| O3 | C19 | H192 | 109.5° | 109.7° |
| C3 | C2 | C8 | 107.6° | 112.4° |
| C3 | C2 | N1 | 114.0° | 108.9° |
| C2 | C3 | C4 | 118.2° | 112.4° |
| C3 | C2 | HC2 | 105.2° | 108.8° |
| C2 | C3 | H31 | 107.2° | 108.9° |
| C2 | C3 | H32 | 107.2° | 108.9° |
| C8 | C2 | N1 | 117.3° | 109.0° |
| C2 | C8 | C7 | 118.2° | 108.5° |
| C8 | C2 | HC2 | 105.5° | 108.9° |
| C2 | C8 | H82 | 107.2° | 109.6° |
| C2 | C8 | H81 | 107.2° | 109.6° |
| C2 | N1 | HN1 | 117.4° | 120.0° |
| N1 | C2 | HC2 | 106.2° | 108.8° |
| C20 | O4 | C21 | 113.2° | 116.7° |
| O4 | C20 | H202 | 108.2° | 109.7° |
| O4 | C20 | H201 | 108.2° | 109.7° |
| C22 | C21 | O4 | 117.3° | 119.4° |
| C21 | C22 | C23 | 117.3° | 120.0° |
| C21 | C22 | HC22 | 121.3° | 120.0° |
| C23 | C22 | HC22 | 121.4° | 120.0° |
| C22 | C23 | HC23 | 118.9° | 119.9° |
| C24 | C25 | O5 | 108.7° | 120.0° |
| C24 | C25 | O6 | 125.1° | 120.0° |
| C25 | C24 | H242 | 109.0° | 109.5° |
| C25 | C24 | H241 | 109.0° | 109.5° |
| O5 | C25 | O6 | 126.1° | 120.0° |
| C25 | O5 | H1 | 109.5° | 117.0° |
| C26 | C27 | C28 | 121.5° | 119.7° |
| C27 | C26 | HC26 | 119.6° | 119.5° |
| C26 | C27 | HC27 | 119.3° | 120.1° |
| C27 | C28 | C29 | 121.3° | 121.2° |
| C28 | C27 | HC27 | 119.2° | 120.2° |
| C28 | C29 | C30 | 120.9° | 119.7° |
| C28 | C29 | HC29 | 119.5° | 120.2° |
| C30 | C29 | HC29 | 119.6° | 120.1° |
| C29 | C30 | HC30 | 119.7° | 119.5° |
| C3 | C4 | C5 | 117.2° | 108.6° |
| C4 | C3 | H31 | 107.3° | 108.9° |
| C4 | C3 | H32 | 107.2° | 108.9° |
| C3 | C4 | H42 | 107.5° | 109.6° |
| C3 | C4 | H41 | 107.5° | 109.6° |
| C4 | C5 | C6 | 111.1° | 112.5° |
| C5 | C4 | H42 | 107.5° | 109.7° |
| C5 | C4 | H41 | 107.5° | 109.6° |
| C4 | C5 | H51 | 109.1° | 108.9° |
| C4 | C5 | H52 | 109.0° | 108.9° |
| C5 | C6 | C7 | 115.6° | 112.8° |
| C6 | C5 | H51 | 109.0° | 108.9° |
| C6 | C5 | H52 | 109.1° | 108.8° |
| C5 | C6 | H62 | 107.9° | 108.8° |
| C5 | C6 | H61 | 107.9° | 108.9° |
| C6 | C7 | C8 | 115.9° | 112.5° |
| C7 | C6 | H62 | 107.9° | 108.8° |
| C7 | C6 | H61 | 107.9° | 108.8° |
| C6 | C7 | H71 | 107.8° | 108.9° |
| C6 | C7 | H72 | 107.8° | 108.9° |
| C8 | C7 | H71 | 107.8° | 108.9° |
| C8 | C7 | H72 | 107.8° | 108.9° |
| C7 | C8 | H82 | 107.2° | 109.6° |
| C7 | C8 | H81 | 107.2° | 109.6° |
| O2 | C9 | H91 | 109.0° | 109.5° |
| O2 | C9 | H92 | 109.0° | 109.5° |
| H31 | C3 | H32 | 109.5° | 108.8° |
| H42 | C4 | H41 | 109.5° | 109.8° |
| H51 | C5 | H52 | 109.5° | 108.8° |
| H62 | C6 | H61 | 109.5° | 108.7° |
| H191 | C19 | H192 | 109.4° | 109.7° |
| H202 | C20 | H201 | 109.5° | 109.8° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 108.8° |
| H82 | C8 | H81 | 109.5° | 109.8° |
| H91 | C9 | H92 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C1 | N1 | O1 | 179.0° | 180.0° |
| C1 | C9 | O2 | C10 | 67.7° | 180.0° |
| C9 | C1 | N1 | C2 | 178.8° | 180.0° |
| C1 | C9 | O2 | H91 | 120.3° | 120.0° |
| C1 | C9 | O2 | H92 | 120.3° | 120.0° |
| C9 | C1 | N1 | HN1 | 1.2° | 0.1° |
| C1 | C9 | H91 | H92 | 119.1° | 120.0° |
| C1 | N1 | C2 | C3 | 169.3° | 155.0° |
| C1 | N1 | C2 | C8 | 63.7° | 82.1° |
| C1 | N1 | C2 | HN1 | 180.0° | 179.9° |
| N1 | C1 | C9 | O2 | 142.1° | 180.0° |
| C1 | N1 | C2 | HC2 | 53.9° | 36.5° |
| N1 | C1 | C9 | H91 | 21.9° | 60.0° |
| N1 | C1 | C9 | H92 | 97.5° | 60.0° |
| O1 | C1 | N1 | C2 | 0.2° | 0.0° |
| O1 | C1 | C9 | O2 | 38.7° | 0.0° |
| O1 | C1 | N1 | HN1 | 179.8° | 180.0° |
| O1 | C1 | C9 | H91 | 159.0° | 120.0° |
| O1 | C1 | C9 | H92 | 81.6° | 120.0° |
| C11 | C10 | C30 | O2 | 179.1° | 179.7° |
| C10 | C11 | C12 | HC11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C28 | 0.3° | 0.0° |
| C11 | C10 | C30 | C29 | 1.7° | 0.0° |
| C11 | C10 | O2 | C9 | 0.4° | 180.0° |
| C11 | C10 | C30 | HC30 | 178.3° | 180.0° |
| C30 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C30 | C29 | C28 | 1.5° | 0.0° |
| C10 | C30 | C29 | HC30 | 180.0° | 179.9° |
| C30 | C10 | O2 | C9 | 179.5° | 0.4° |
| C30 | C10 | C11 | HC11 | 178.9° | 180.0° |
| C10 | C30 | C29 | HC29 | 178.5° | 180.0° |
| O2 | C10 | C11 | C12 | 179.9° | 179.7° |
| O2 | C10 | C30 | C29 | 179.2° | 179.7° |
| O2 | C10 | C11 | HC11 | 0.1° | 0.3° |
| O2 | C10 | C30 | HC30 | 0.8° | 0.4° |
| C10 | O2 | C9 | H91 | 52.6° | 59.9° |
| C10 | O2 | C9 | H92 | 172.0° | 60.1° |
| C11 | C12 | C13 | C28 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | C28 | C27 | 179.2° | 179.9° |
| C11 | C12 | C28 | C29 | 0.0° | 0.0° |
| C11 | C12 | C13 | HC13 | 0.6° | 0.1° |
| C12 | C13 | C14 | HC13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 178.9° | 179.9° |
| C12 | C13 | C14 | C26 | 0.8° | 0.0° |
| C13 | C12 | C28 | C27 | 0.6° | 0.1° |
| C13 | C12 | C28 | C29 | 179.8° | 180.0° |
| C13 | C12 | C11 | HC11 | 0.1° | 0.0° |
| C28 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C28 | C27 | C26 | 1.2° | 0.1° |
| C12 | C28 | C27 | C29 | 179.3° | 179.9° |
| C12 | C28 | C29 | C30 | 0.7° | 0.0° |
| C28 | C12 | C11 | HC11 | 179.7° | 180.0° |
| C28 | C12 | C13 | HC13 | 179.6° | 179.9° |
| C12 | C28 | C27 | HC27 | 178.8° | 180.0° |
| C12 | C28 | C29 | HC29 | 179.4° | 180.0° |
| C13 | C14 | C15 | C26 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 32.3° | 111.7° |
| C13 | C14 | C15 | C24 | 98.9° | 128.3° |
| C13 | C14 | C26 | C27 | 1.4° | 0.0° |
| C13 | C14 | C15 | HC15 | 148.1° | 8.2° |
| C13 | C14 | C26 | HC26 | 178.5° | 180.0° |
| C14 | C15 | C16 | C24 | 131.8° | 120.1° |
| C14 | C15 | C16 | HC15 | 115.8° | 120.0° |
| C14 | C15 | C24 | HC15 | 113.2° | 120.0° |
| C14 | C15 | C16 | C17 | 79.2° | 68.1° |
| C14 | C15 | C16 | C23 | 101.3° | 111.9° |
| C14 | C15 | C24 | C25 | 173.2° | 65.0° |
| C15 | C14 | C26 | C27 | 178.3° | 180.0° |
| C15 | C14 | C13 | HC13 | 1.1° | 0.0° |
| C14 | C15 | C24 | H242 | 66.5° | 175.0° |
| C14 | C15 | C24 | H241 | 52.9° | 55.0° |
| C15 | C14 | C26 | HC26 | 1.7° | 0.0° |
| C26 | C14 | C15 | C16 | 147.4° | 68.3° |
| C26 | C14 | C15 | C24 | 81.4° | 51.7° |
| C14 | C26 | C27 | HC26 | 180.0° | 179.9° |
| C14 | C26 | C27 | C28 | 1.6° | 0.0° |
| C26 | C14 | C13 | HC13 | 179.2° | 180.0° |
| C26 | C14 | C15 | HC15 | 31.7° | 171.7° |
| C14 | C26 | C27 | HC27 | 178.3° | 180.0° |
| C16 | C15 | C24 | HC15 | 112.4° | 120.0° |
| C15 | C16 | C17 | C23 | 179.4° | 179.9° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C15 | C16 | C23 | C22 | 179.6° | 179.9° |
| C16 | C15 | C24 | C25 | 52.4° | 175.0° |
| C15 | C16 | C17 | HC17 | 0.3° | 0.1° |
| C15 | C16 | C23 | HC23 | 0.4° | 0.1° |
| C16 | C15 | C24 | H242 | 67.9° | 55.0° |
| C16 | C15 | C24 | H241 | 172.7° | 65.0° |
| C24 | C15 | C16 | C17 | 148.9° | 51.9° |
| C24 | C15 | C16 | C23 | 30.5° | 128.0° |
| C15 | C24 | C25 | H242 | 120.3° | 120.0° |
| C15 | C24 | C25 | H241 | 120.3° | 120.0° |
| C15 | C24 | C25 | O5 | 132.6° | 180.0° |
| C15 | C24 | C25 | O6 | 47.4° | 0.0° |
| C15 | C24 | H242 | H241 | 119.2° | 120.0° |
| C16 | C17 | C18 | HC17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C21 | 0.3° | 0.2° |
| C16 | C17 | C18 | O3 | 179.1° | 179.6° |
| C17 | C16 | C23 | C22 | 0.2° | 0.0° |
| C17 | C16 | C15 | HC15 | 36.6° | 171.9° |
| C17 | C16 | C23 | HC23 | 179.8° | 180.0° |
| C23 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C23 | C22 | C21 | 0.0° | 0.0° |
| C16 | C23 | C22 | HC23 | 180.0° | 180.0° |
| C23 | C16 | C15 | HC15 | 142.8° | 8.0° |
| C23 | C16 | C17 | HC17 | 179.7° | 180.0° |
| C16 | C23 | C22 | HC22 | 180.0° | 180.0° |
| C17 | C18 | C21 | O3 | 179.3° | 179.8° |
| C17 | C18 | O3 | C19 | 133.4° | 162.8° |
| C17 | C18 | C21 | C22 | 0.1° | 0.2° |
| C17 | C18 | C21 | O4 | 179.5° | 179.6° |
| C21 | C18 | O3 | C19 | 46.0° | 17.3° |
| C18 | C21 | O4 | C20 | 24.5° | 17.4° |
| C18 | C21 | C22 | O4 | 179.4° | 179.8° |
| C18 | C21 | C22 | C23 | 0.0° | 0.1° |
| C21 | C18 | C17 | HC17 | 179.8° | 179.9° |
| C18 | C21 | C22 | HC22 | 180.0° | 179.9° |
| C18 | O3 | C19 | C20 | 65.5° | 46.2° |
| O3 | C18 | C21 | C22 | 179.3° | 179.6° |
| O3 | C18 | C21 | O4 | 0.1° | 0.6° |
| O3 | C18 | C17 | HC17 | 0.9° | 0.3° |
| C18 | O3 | C19 | H191 | 54.5° | 165.9° |
| C18 | O3 | C19 | H192 | 174.5° | 73.5° |
| C20 | C19 | O3 | H191 | 120.0° | 119.7° |
| C20 | C19 | O3 | H192 | 120.0° | 119.7° |
| C19 | C20 | O4 | H202 | 120.8° | 119.7° |
| C19 | C20 | O4 | H201 | 120.7° | 119.7° |
| C19 | C20 | O4 | C21 | 1.1° | 46.3° |
| C20 | C19 | H191 | H192 | 120.0° | 120.5° |
| C19 | C20 | H202 | H201 | 117.7° | 120.6° |
| O3 | C19 | C20 | O4 | 43.7° | 59.7° |
| O3 | C19 | H191 | H192 | 120.1° | 120.7° |
| O3 | C19 | C20 | H202 | 77.0° | 179.4° |
| O3 | C19 | C20 | H201 | 164.5° | 60.0° |
| C3 | C2 | C8 | N1 | 130.1° | 120.7° |
| C3 | C2 | C8 | HC2 | 111.9° | 120.7° |
| C3 | C2 | N1 | HC2 | 115.4° | 118.5° |
| C2 | C3 | C4 | H31 | 121.2° | 120.8° |
| C2 | C3 | C4 | H32 | 121.2° | 120.7° |
| C2 | C3 | C4 | C5 | 54.5° | 80.0° |
| C3 | C2 | C8 | C7 | 87.5° | 80.0° |
| C3 | C2 | N1 | HN1 | 10.7° | 25.1° |
| C2 | C3 | H31 | H32 | 116.0° | 118.5° |
| C2 | C3 | C4 | H42 | 175.6° | 39.8° |
| C2 | C3 | C4 | H41 | 66.6° | 160.3° |
| C3 | C2 | C8 | H82 | 151.3° | 39.7° |
| C3 | C2 | C8 | H81 | 33.8° | 160.3° |
| C8 | C2 | N1 | HC2 | 117.6° | 118.7° |
| C8 | C2 | C3 | C4 | 66.0° | 61.9° |
| C2 | C8 | C7 | C6 | 47.6° | 94.2° |
| C2 | C8 | C7 | H82 | 121.3° | 119.7° |
| C2 | C8 | C7 | H81 | 121.2° | 119.6° |
| C8 | C2 | N1 | HN1 | 116.3° | 97.8° |
| C8 | C2 | C3 | H31 | 55.2° | 177.3° |
| C8 | C2 | C3 | H32 | 172.7° | 58.8° |
| C2 | C8 | C7 | H71 | 168.6° | 26.6° |
| C2 | C8 | C7 | H72 | 73.3° | 145.0° |
| C2 | C8 | H82 | H81 | 116.0° | 120.5° |
| N1 | C2 | C3 | C4 | 65.9° | 177.3° |
| N1 | C2 | C8 | C7 | 42.7° | 159.3° |
| N1 | C2 | C3 | H31 | 172.8° | 56.5° |
| N1 | C2 | C3 | H32 | 55.3° | 62.0° |
| N1 | C2 | C8 | H82 | 78.6° | 81.0° |
| N1 | C2 | C8 | H81 | 163.9° | 39.6° |
| C20 | O4 | C21 | C22 | 154.9° | 162.7° |
| O4 | C20 | C19 | H191 | 76.3° | 179.4° |
| O4 | C20 | C19 | H192 | 163.7° | 60.0° |
| O4 | C20 | H202 | H201 | 117.6° | 120.6° |
| C21 | C22 | C23 | HC22 | 180.0° | 180.0° |
| C21 | C22 | C23 | HC23 | 180.0° | 180.0° |
| O4 | C21 | C22 | C23 | 179.4° | 179.7° |
| C21 | O4 | C20 | H202 | 121.9° | 165.9° |
| C21 | O4 | C20 | H201 | 119.7° | 73.4° |
| O4 | C21 | C22 | HC22 | 0.6° | 0.3° |
| C24 | C25 | O5 | O6 | 179.9° | 180.0° |
| C25 | C24 | C15 | HC15 | 60.0° | 55.0° |
| C25 | C24 | H242 | H241 | 119.2° | 120.0° |
| C24 | C25 | O5 | H1 | 179.9° | 180.0° |
| O5 | C25 | C24 | H242 | 12.4° | 60.0° |
| O5 | C25 | C24 | H241 | 107.1° | 60.0° |
| O6 | C25 | C24 | H242 | 167.7° | 120.0° |
| O6 | C25 | C24 | H241 | 72.9° | 120.0° |
| O6 | C25 | O5 | H1 | 0.0° | 0.0° |
| C26 | C27 | C28 | HC27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 179.5° | 180.0° |
| C27 | C28 | C29 | C30 | 178.6° | 179.9° |
| C28 | C27 | C26 | HC26 | 178.3° | 179.9° |
| C27 | C28 | C29 | HC29 | 1.4° | 0.1° |
| C28 | C29 | C30 | HC29 | 180.0° | 180.0° |
| C29 | C28 | C27 | HC27 | 0.5° | 0.1° |
| C28 | C29 | C30 | HC30 | 178.5° | 180.0° |
| C3 | C4 | C5 | H42 | 121.1° | 119.7° |
| C3 | C4 | C5 | H41 | 121.1° | 119.6° |
| C3 | C4 | C5 | C6 | 71.9° | 94.2° |
| C4 | C3 | C2 | HC2 | 178.1° | 58.9° |
| C4 | C3 | H31 | H32 | 116.0° | 118.6° |
| C3 | C4 | H42 | H41 | 116.5° | 120.4° |
| C3 | C4 | C5 | H51 | 48.3° | 145.0° |
| C3 | C4 | C5 | H52 | 167.9° | 26.5° |
| C4 | C5 | C6 | H51 | 120.3° | 120.8° |
| C4 | C5 | C6 | H52 | 120.2° | 120.7° |
| C4 | C5 | C6 | C7 | 85.2° | 41.7° |
| C5 | C4 | C3 | H31 | 66.8° | 159.2° |
| C5 | C4 | C3 | H32 | 175.7° | 40.7° |
| C5 | C4 | H42 | H41 | 116.5° | 120.5° |
| C4 | C5 | H51 | H52 | 119.2° | 118.6° |
| C4 | C5 | C6 | H62 | 153.9° | 79.1° |
| C4 | C5 | C6 | H61 | 35.7° | 162.5° |
| C5 | C6 | C7 | H62 | 120.9° | 120.8° |
| C5 | C6 | C7 | H61 | 120.9° | 120.9° |
| C5 | C6 | C7 | C8 | 35.9° | 41.7° |
| C6 | C5 | C4 | H42 | 167.0° | 25.6° |
| C6 | C5 | C4 | H41 | 49.2° | 146.2° |
| C6 | C5 | H51 | H52 | 119.2° | 118.4° |
| C5 | C6 | H62 | H61 | 117.2° | 118.4° |
| C5 | C6 | C7 | H71 | 85.0° | 79.0° |
| C5 | C6 | C7 | H72 | 156.9° | 162.5° |
| C6 | C7 | C8 | H71 | 121.0° | 120.7° |
| C6 | C7 | C8 | H72 | 120.9° | 120.8° |
| C7 | C6 | C5 | H51 | 35.1° | 162.5° |
| C7 | C6 | C5 | H52 | 154.6° | 79.1° |
| C7 | C6 | H62 | H61 | 117.2° | 118.4° |
| C6 | C7 | H71 | H72 | 117.1° | 118.5° |
| C6 | C7 | C8 | H82 | 168.9° | 25.6° |
| C6 | C7 | C8 | H81 | 73.6° | 146.2° |
| C7 | C8 | C2 | HC2 | 160.6° | 40.7° |
| C8 | C7 | C6 | H62 | 156.8° | 162.5° |
| C8 | C7 | C6 | H61 | 85.0° | 79.2° |
| C8 | C7 | H71 | H72 | 117.1° | 118.5° |
| C7 | C8 | H82 | H81 | 116.0° | 120.5° |
| O2 | C9 | H91 | H92 | 119.1° | 120.0° |
| HN1 | N1 | C2 | HC2 | 126.1° | 143.6° |
| HC2 | C2 | C3 | H31 | 56.8° | 61.9° |
| HC2 | C2 | C3 | H32 | 60.7° | 179.6° |
| HC2 | C2 | C8 | H82 | 39.3° | 160.4° |
| HC2 | C2 | C8 | H81 | 78.2° | 79.0° |
| H31 | C3 | C4 | H42 | 54.4° | 81.0° |
| H31 | C3 | C4 | H41 | 172.1° | 39.6° |
| H32 | C3 | C4 | H42 | 63.1° | 160.5° |
| H32 | C3 | C4 | H41 | 54.6° | 79.0° |
| H42 | C4 | C5 | H51 | 72.8° | 95.2° |
| H42 | C4 | C5 | H52 | 46.7° | 146.3° |
| H41 | C4 | C5 | H51 | 169.5° | 25.4° |
| H41 | C4 | C5 | H52 | 71.0° | 93.1° |
| H51 | C5 | C6 | H62 | 85.8° | 41.7° |
| H51 | C5 | C6 | H61 | 156.0° | 76.6° |
| H52 | C5 | C6 | H62 | 33.7° | 160.1° |
| H52 | C5 | C6 | H61 | 84.5° | 41.8° |
| H62 | C6 | C7 | H71 | 35.9° | 41.8° |
| H62 | C6 | C7 | H72 | 82.2° | 76.7° |
| H61 | C6 | C7 | H71 | 154.1° | 160.1° |
| H61 | C6 | C7 | H72 | 36.0° | 41.6° |
| HC15 | C15 | C24 | H242 | 179.7° | 65.0° |
| HC15 | C15 | C24 | H241 | 60.3° | 175.0° |
| H191 | C19 | C20 | H202 | 163.0° | 60.9° |
| H191 | C19 | C20 | H201 | 44.5° | 59.7° |
| H192 | C19 | C20 | H202 | 43.0° | 59.7° |
| H192 | C19 | C20 | H201 | 75.5° | 179.7° |
| HC22 | C22 | C23 | HC23 | 0.0° | 0.0° |
| HC26 | C26 | C27 | HC27 | 1.7° | 0.0° |
| HC29 | C29 | C30 | HC30 | 1.5° | 0.0° |
| H71 | C7 | C8 | H82 | 70.1° | 146.3° |
| H71 | C7 | C8 | H81 | 47.4° | 93.1° |
| H72 | C7 | C8 | H82 | 48.0° | 95.2° |
| H72 | C7 | C8 | H81 | 165.5° | 25.4° |
