A1IX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C8 | sing | 1.51Å | 1.52Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | C27 | sing | 1.42Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C23 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | O3 | sing | 1.36Å | 1.35Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | O3 | sing | 1.43Å | 1.43Å | |
| C19 | O4 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | N1 | sing | 1.46Å | 1.43Å | |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | O4 | sing | 1.36Å | 1.38Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | O5 | sing | 1.34Å | 1.35Å | |
| C24 | O6 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | doub | 1.36Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.41Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.37Å | Aromatic |
| C29 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | O2 | sing | 1.43Å | 1.44Å | |
| C9 | O2 | sing | 1.36Å | 1.37Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C14 | HC14 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | HC21 | sing | 1.08Å | 1.08Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | HC25 | sing | 1.08Å | 1.08Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C28 | HC28 | sing | 1.08Å | 1.08Å | |
| C29 | HC29 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C1 | N1 | 118.5° | 120.0° |
| C8 | C1 | O1 | 116.5° | 120.0° |
| C1 | C8 | O2 | 104.7° | 109.4° |
| C1 | C8 | H82 | 110.7° | 109.5° |
| C1 | C8 | H81 | 110.7° | 109.4° |
| N1 | C1 | O1 | 125.0° | 120.0° |
| C1 | N1 | C2 | 124.5° | 120.0° |
| C1 | N1 | HN1 | 117.7° | 120.0° |
| C11 | C10 | C9 | 119.8° | 119.6° |
| C10 | C11 | C12 | 123.4° | 121.3° |
| C10 | C11 | C27 | 118.2° | 119.4° |
| C11 | C10 | HC10 | 120.1° | 120.2° |
| C10 | C9 | C29 | 119.5° | 120.8° |
| C10 | C9 | O2 | 127.2° | 119.6° |
| C9 | C10 | HC10 | 120.1° | 120.2° |
| C12 | C11 | C27 | 118.5° | 119.3° |
| C11 | C12 | C13 | 119.6° | 119.7° |
| C11 | C12 | HC12 | 120.2° | 120.1° |
| C11 | C27 | C26 | 119.0° | 119.4° |
| C11 | C27 | C28 | 121.8° | 119.4° |
| C12 | C13 | C14 | 125.3° | 119.5° |
| C12 | C13 | C25 | 120.1° | 121.0° |
| C13 | C12 | HC12 | 120.2° | 120.2° |
| C14 | C13 | C25 | 114.6° | 119.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | C23 | 120.0° | 109.5° |
| C13 | C14 | HC14 | 104.6° | 109.5° |
| C13 | C25 | C26 | 120.8° | 121.0° |
| C13 | C25 | HC25 | 119.6° | 119.5° |
| C15 | C14 | C23 | 109.8° | 109.5° |
| C14 | C15 | C16 | 117.5° | 119.9° |
| C14 | C15 | C22 | 121.8° | 120.0° |
| C15 | C14 | HC14 | 104.5° | 109.5° |
| C14 | C23 | C24 | 112.8° | 109.4° |
| C23 | C14 | HC14 | 104.2° | 109.5° |
| C14 | C23 | H232 | 108.6° | 109.5° |
| C14 | C23 | H231 | 108.6° | 109.5° |
| C16 | C15 | C22 | 120.7° | 120.1° |
| C15 | C16 | C17 | 117.5° | 120.0° |
| C15 | C16 | HC16 | 121.2° | 120.0° |
| C15 | C22 | C21 | 121.4° | 120.1° |
| C15 | C22 | HC22 | 119.3° | 119.9° |
| C16 | C17 | C20 | 122.1° | 119.8° |
| C16 | C17 | O3 | 115.2° | 119.4° |
| C17 | C16 | HC16 | 121.3° | 120.0° |
| C20 | C17 | O3 | 122.7° | 120.8° |
| C17 | C20 | C21 | 120.5° | 119.8° |
| C17 | C20 | O4 | 123.3° | 120.7° |
| C17 | O3 | C18 | 110.0° | 116.7° |
| C19 | C18 | O3 | 108.4° | 108.2° |
| C18 | C19 | O4 | 105.9° | 108.2° |
| C19 | C18 | H181 | 109.7° | 109.7° |
| C19 | C18 | H182 | 109.7° | 109.7° |
| C18 | C19 | H191 | 110.3° | 109.7° |
| C18 | C19 | H192 | 110.4° | 109.7° |
| O3 | C18 | H181 | 109.7° | 109.7° |
| O3 | C18 | H182 | 109.7° | 109.7° |
| C19 | O4 | C20 | 108.5° | 116.7° |
| O4 | C19 | H191 | 110.4° | 109.7° |
| O4 | C19 | H192 | 110.3° | 109.7° |
| C3 | C2 | C7 | 110.3° | 109.5° |
| C3 | C2 | N1 | 118.0° | 109.5° |
| C2 | C3 | C4 | 108.6° | 109.5° |
| C3 | C2 | HC2 | 107.1° | 109.5° |
| C2 | C3 | H31 | 109.7° | 109.5° |
| C2 | C3 | H32 | 109.7° | 109.5° |
| C7 | C2 | N1 | 105.9° | 109.4° |
| C2 | C7 | C6 | 113.7° | 109.5° |
| C7 | C2 | HC2 | 106.7° | 109.4° |
| C2 | C7 | H71 | 108.4° | 109.5° |
| C2 | C7 | H72 | 108.4° | 109.5° |
| N1 | C2 | HC2 | 108.3° | 109.5° |
| C2 | N1 | HN1 | 117.8° | 120.0° |
| C21 | C20 | O4 | 116.1° | 119.4° |
| C20 | C21 | C22 | 117.8° | 120.1° |
| C20 | C21 | HC21 | 121.1° | 120.0° |
| C22 | C21 | HC21 | 121.1° | 119.9° |
| C21 | C22 | HC22 | 119.3° | 120.0° |
| C23 | C24 | O5 | 111.6° | 120.0° |
| C23 | C24 | O6 | 124.7° | 120.1° |
| C24 | C23 | H232 | 108.6° | 109.5° |
| C24 | C23 | H231 | 108.6° | 109.5° |
| O5 | C24 | O6 | 123.6° | 120.0° |
| C24 | O5 | H1 | 109.5° | 117.0° |
| C25 | C26 | C27 | 121.9° | 119.7° |
| C26 | C25 | HC25 | 119.6° | 119.5° |
| C25 | C26 | HC26 | 119.0° | 120.2° |
| C26 | C27 | C28 | 119.2° | 121.3° |
| C27 | C26 | HC26 | 119.0° | 120.1° |
| C27 | C28 | C29 | 117.6° | 119.8° |
| C27 | C28 | HC28 | 121.2° | 120.1° |
| C28 | C29 | C9 | 123.2° | 120.9° |
| C29 | C28 | HC28 | 121.2° | 120.1° |
| C28 | C29 | HC29 | 118.4° | 119.6° |
| C29 | C9 | O2 | 113.3° | 119.6° |
| C9 | C29 | HC29 | 118.4° | 119.5° |
| C3 | C4 | C5 | 113.7° | 109.5° |
| C4 | C3 | H31 | 109.7° | 109.5° |
| C4 | C3 | H32 | 109.7° | 109.4° |
| C3 | C4 | H42 | 108.4° | 109.4° |
| C3 | C4 | H41 | 108.4° | 109.5° |
| C4 | C5 | C6 | 113.6° | 109.5° |
| C4 | C5 | H52 | 108.4° | 109.4° |
| C4 | C5 | H51 | 108.5° | 109.5° |
| C5 | C4 | H42 | 108.4° | 109.4° |
| C5 | C4 | H41 | 108.4° | 109.5° |
| C5 | C6 | C7 | 111.9° | 109.5° |
| C6 | C5 | H52 | 108.4° | 109.4° |
| C6 | C5 | H51 | 108.4° | 109.5° |
| C5 | C6 | H62 | 108.8° | 109.4° |
| C5 | C6 | H61 | 108.8° | 109.5° |
| C7 | C6 | H62 | 108.9° | 109.5° |
| C7 | C6 | H61 | 108.9° | 109.5° |
| C6 | C7 | H71 | 108.4° | 109.5° |
| C6 | C7 | H72 | 108.4° | 109.5° |
| C8 | O2 | C9 | 122.4° | 117.0° |
| O2 | C8 | H82 | 110.7° | 109.4° |
| O2 | C8 | H81 | 110.6° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H52 | C5 | H51 | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| H82 | C8 | H81 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.7° |
| H191 | C19 | H192 | 109.5° | 109.8° |
| H42 | C4 | H41 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C1 | N1 | O1 | 179.4° | 179.7° |
| C8 | C1 | N1 | C2 | 179.4° | 180.0° |
| C1 | C8 | O2 | H82 | 119.2° | 120.0° |
| C1 | C8 | O2 | H81 | 119.3° | 120.0° |
| C1 | C8 | O2 | C9 | 51.6° | 180.0° |
| C1 | C8 | H82 | H81 | 122.3° | 120.0° |
| C8 | C1 | N1 | HN1 | 0.7° | 0.1° |
| C1 | N1 | C2 | C3 | 153.5° | 155.0° |
| C1 | N1 | C2 | C7 | 82.5° | 85.1° |
| C1 | N1 | C2 | HN1 | 180.0° | 179.9° |
| N1 | C1 | C8 | O2 | 134.0° | 180.0° |
| C1 | N1 | C2 | HC2 | 31.7° | 34.9° |
| N1 | C1 | C8 | H82 | 14.8° | 60.0° |
| N1 | C1 | C8 | H81 | 106.8° | 60.1° |
| O1 | C1 | N1 | C2 | 0.1° | 0.3° |
| O1 | C1 | C8 | O2 | 45.5° | 0.3° |
| O1 | C1 | C8 | H82 | 164.7° | 119.7° |
| O1 | C1 | C8 | H81 | 73.8° | 120.2° |
| O1 | C1 | N1 | HN1 | 179.9° | 179.8° |
| C11 | C10 | C9 | HC10 | 180.0° | 179.7° |
| C10 | C11 | C12 | C27 | 179.5° | 180.0° |
| C10 | C11 | C12 | C13 | 179.1° | 180.0° |
| C10 | C11 | C27 | C26 | 179.9° | 180.0° |
| C10 | C11 | C27 | C28 | 0.3° | 0.1° |
| C11 | C10 | C9 | C29 | 0.8° | 0.1° |
| C11 | C10 | C9 | O2 | 180.0° | 180.0° |
| C10 | C11 | C12 | HC12 | 0.8° | 0.0° |
| C9 | C10 | C11 | C12 | 179.5° | 180.0° |
| C9 | C10 | C11 | C27 | 0.9° | 0.0° |
| C10 | C9 | C29 | C28 | 0.1° | 0.1° |
| C10 | C9 | C29 | O2 | 179.3° | 179.9° |
| C10 | C9 | O2 | C8 | 10.3° | 180.0° |
| C10 | C9 | C29 | HC29 | 179.9° | 180.0° |
| C11 | C12 | C13 | HC12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.1° | 179.9° |
| C11 | C12 | C13 | C25 | 0.8° | 0.1° |
| C12 | C11 | C27 | C26 | 0.6° | 0.0° |
| C12 | C11 | C27 | C28 | 179.9° | 179.9° |
| C12 | C11 | C10 | HC10 | 0.5° | 0.3° |
| C27 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C27 | C26 | C25 | 1.2° | 0.0° |
| C11 | C27 | C26 | C28 | 179.6° | 179.9° |
| C11 | C27 | C28 | C29 | 0.4° | 0.1° |
| C27 | C11 | C10 | HC10 | 179.1° | 179.7° |
| C27 | C11 | C12 | HC12 | 179.6° | 180.0° |
| C11 | C27 | C26 | HC26 | 178.8° | 180.0° |
| C11 | C27 | C28 | HC28 | 179.6° | 180.0° |
| C12 | C13 | C14 | C25 | 178.4° | 179.9° |
| C12 | C13 | C14 | C15 | 35.9° | 111.7° |
| C12 | C13 | C14 | C23 | 95.2° | 128.3° |
| C12 | C13 | C25 | C26 | 0.2° | 0.1° |
| C12 | C13 | C14 | HC14 | 148.5° | 8.3° |
| C12 | C13 | C25 | HC25 | 179.8° | 180.0° |
| C13 | C14 | C15 | C23 | 136.1° | 120.0° |
| C13 | C14 | C15 | HC14 | 112.6° | 120.0° |
| C13 | C14 | C23 | HC14 | 116.5° | 120.0° |
| C13 | C14 | C15 | C16 | 80.7° | 112.0° |
| C13 | C14 | C15 | C22 | 99.2° | 68.3° |
| C13 | C14 | C23 | C24 | 178.6° | 65.0° |
| C14 | C13 | C25 | C26 | 178.7° | 180.0° |
| C14 | C13 | C12 | HC12 | 0.9° | 0.1° |
| C13 | C14 | C23 | H232 | 60.9° | 175.0° |
| C13 | C14 | C23 | H231 | 58.2° | 55.0° |
| C14 | C13 | C25 | HC25 | 1.3° | 0.1° |
| C25 | C13 | C14 | C15 | 142.4° | 68.1° |
| C25 | C13 | C14 | C23 | 86.5° | 51.8° |
| C13 | C25 | C26 | HC25 | 180.0° | 179.9° |
| C13 | C25 | C26 | C27 | 0.8° | 0.1° |
| C25 | C13 | C12 | HC12 | 179.2° | 179.9° |
| C25 | C13 | C14 | HC14 | 29.9° | 171.8° |
| C13 | C25 | C26 | HC26 | 179.2° | 179.9° |
| C15 | C14 | C23 | HC14 | 111.4° | 120.0° |
| C14 | C15 | C16 | C22 | 179.9° | 179.6° |
| C14 | C15 | C16 | C17 | 179.6° | 179.7° |
| C14 | C15 | C22 | C21 | 179.5° | 179.7° |
| C15 | C14 | C23 | C24 | 49.3° | 175.0° |
| C14 | C15 | C16 | HC16 | 0.4° | 0.4° |
| C14 | C15 | C22 | HC22 | 0.5° | 0.2° |
| C15 | C14 | C23 | H232 | 71.1° | 55.0° |
| C15 | C14 | C23 | H231 | 169.8° | 65.0° |
| C23 | C14 | C15 | C16 | 143.3° | 128.0° |
| C23 | C14 | C15 | C22 | 36.8° | 51.6° |
| C14 | C23 | C24 | H232 | 120.5° | 120.0° |
| C14 | C23 | C24 | H231 | 120.5° | 120.0° |
| C14 | C23 | C24 | O5 | 118.9° | 180.0° |
| C14 | C23 | C24 | O6 | 61.7° | 0.0° |
| C14 | C23 | H232 | H231 | 118.5° | 120.0° |
| C15 | C16 | C17 | HC16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C20 | 0.4° | 0.1° |
| C15 | C16 | C17 | O3 | 179.8° | 179.6° |
| C16 | C15 | C22 | C21 | 0.6° | 0.1° |
| C16 | C15 | C14 | HC14 | 32.0° | 8.0° |
| C16 | C15 | C22 | HC22 | 179.4° | 179.9° |
| C22 | C15 | C16 | C17 | 0.5° | 0.1° |
| C15 | C22 | C21 | C20 | 0.6° | 0.0° |
| C15 | C22 | C21 | HC22 | 180.0° | 180.0° |
| C22 | C15 | C16 | HC16 | 179.5° | 180.0° |
| C22 | C15 | C14 | HC14 | 148.1° | 171.6° |
| C15 | C22 | C21 | HC21 | 179.4° | 179.9° |
| C16 | C17 | C20 | O3 | 179.4° | 179.6° |
| C16 | C17 | O3 | C18 | 163.9° | 162.9° |
| C16 | C17 | C20 | C21 | 0.5° | 0.1° |
| C16 | C17 | C20 | O4 | 179.3° | 179.7° |
| C20 | C17 | O3 | C18 | 15.5° | 17.4° |
| C17 | C20 | O4 | C19 | 20.5° | 17.5° |
| C17 | C20 | C21 | O4 | 178.9° | 179.8° |
| C17 | C20 | C21 | C22 | 0.6° | 0.1° |
| C20 | C17 | C16 | HC16 | 179.6° | 179.9° |
| C17 | C20 | C21 | HC21 | 179.4° | 180.0° |
| C17 | O3 | C18 | C19 | 50.9° | 46.2° |
| O3 | C17 | C20 | C21 | 179.9° | 179.5° |
| O3 | C17 | C20 | O4 | 1.3° | 0.7° |
| O3 | C17 | C16 | HC16 | 0.1° | 0.5° |
| C17 | O3 | C18 | H181 | 68.9° | 73.5° |
| C17 | O3 | C18 | H182 | 170.7° | 165.9° |
| C19 | C18 | O3 | H181 | 119.8° | 119.7° |
| C19 | C18 | O3 | H182 | 119.8° | 119.7° |
| C18 | C19 | O4 | H191 | 119.4° | 119.7° |
| C18 | C19 | O4 | H192 | 119.4° | 119.6° |
| C18 | C19 | O4 | C20 | 54.1° | 46.3° |
| C19 | C18 | H181 | H182 | 120.5° | 120.6° |
| C18 | C19 | H191 | H192 | 121.6° | 120.6° |
| O3 | C18 | C19 | O4 | 74.1° | 59.7° |
| O3 | C18 | H181 | H182 | 120.5° | 120.7° |
| O3 | C18 | C19 | H191 | 45.4° | 60.0° |
| O3 | C18 | C19 | H192 | 166.5° | 179.3° |
| C19 | O4 | C20 | C21 | 158.4° | 162.7° |
| O4 | C19 | C18 | H181 | 45.7° | 60.0° |
| O4 | C19 | C18 | H182 | 166.1° | 179.4° |
| O4 | C19 | H191 | H192 | 121.6° | 120.6° |
| C3 | C2 | C7 | N1 | 128.7° | 120.0° |
| C3 | C2 | C7 | HC2 | 116.0° | 120.0° |
| C3 | C2 | N1 | HC2 | 121.8° | 120.1° |
| C2 | C3 | C4 | H31 | 119.9° | 120.1° |
| C2 | C3 | C4 | H32 | 119.9° | 120.0° |
| C2 | C3 | C4 | C5 | 38.6° | 59.9° |
| C3 | C2 | C7 | C6 | 32.7° | 60.0° |
| C2 | C3 | H31 | H32 | 120.4° | 120.1° |
| C3 | C2 | C7 | H71 | 87.9° | 60.0° |
| C3 | C2 | C7 | H72 | 153.3° | 180.0° |
| C2 | C3 | C4 | H42 | 82.0° | 60.0° |
| C2 | C3 | C4 | H41 | 159.3° | 180.0° |
| C3 | C2 | N1 | HN1 | 26.5° | 24.9° |
| C7 | C2 | N1 | HC2 | 114.2° | 120.0° |
| C7 | C2 | C3 | C4 | 66.8° | 60.0° |
| C2 | C7 | C6 | C5 | 26.7° | 60.0° |
| C2 | C7 | C6 | H71 | 120.6° | 120.0° |
| C2 | C7 | C6 | H72 | 120.6° | 120.0° |
| C7 | C2 | C3 | H31 | 173.3° | 180.0° |
| C7 | C2 | C3 | H32 | 53.1° | 60.0° |
| C2 | C7 | C6 | H62 | 147.0° | 60.0° |
| C2 | C7 | C6 | H61 | 93.7° | 180.0° |
| C2 | C7 | H71 | H72 | 118.1° | 120.0° |
| C7 | C2 | N1 | HN1 | 97.6° | 95.1° |
| N1 | C2 | C3 | C4 | 171.4° | 179.9° |
| N1 | C2 | C7 | C6 | 161.4° | 180.0° |
| N1 | C2 | C3 | H31 | 51.5° | 60.0° |
| N1 | C2 | C3 | H32 | 68.7° | 60.0° |
| N1 | C2 | C7 | H71 | 40.8° | 60.0° |
| N1 | C2 | C7 | H72 | 78.0° | 60.0° |
| C20 | C21 | C22 | HC21 | 180.0° | 179.9° |
| C20 | C21 | C22 | HC22 | 179.4° | 180.0° |
| O4 | C20 | C21 | C22 | 179.5° | 179.7° |
| C20 | O4 | C19 | H191 | 65.3° | 73.3° |
| C20 | O4 | C19 | H192 | 173.5° | 166.0° |
| O4 | C20 | C21 | HC21 | 0.5° | 0.2° |
| C23 | C24 | O5 | O6 | 179.4° | 180.0° |
| C24 | C23 | C14 | HC14 | 62.1° | 55.0° |
| C24 | C23 | H232 | H231 | 118.5° | 120.0° |
| C23 | C24 | O5 | H1 | 179.4° | 180.0° |
| O5 | C24 | C23 | H232 | 1.6° | 60.0° |
| O5 | C24 | C23 | H231 | 120.6° | 60.0° |
| O6 | C24 | C23 | H232 | 177.9° | 120.0° |
| O6 | C24 | C23 | H231 | 58.8° | 120.0° |
| O6 | C24 | O5 | H1 | 0.0° | 0.0° |
| C25 | C26 | C27 | HC26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 179.3° | 179.9° |
| C26 | C27 | C28 | C29 | 179.2° | 180.0° |
| C27 | C26 | C25 | HC25 | 179.2° | 180.0° |
| C26 | C27 | C28 | HC28 | 0.8° | 0.1° |
| C27 | C28 | C29 | HC28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C9 | 0.5° | 0.0° |
| C28 | C27 | C26 | HC26 | 0.7° | 0.1° |
| C27 | C28 | C29 | HC29 | 179.5° | 179.9° |
| C28 | C29 | C9 | HC29 | 180.0° | 179.9° |
| C28 | C29 | C9 | O2 | 179.4° | 180.0° |
| C29 | C9 | O2 | C8 | 170.5° | 0.1° |
| C29 | C9 | C10 | HC10 | 179.1° | 179.6° |
| C9 | C29 | C28 | HC28 | 179.5° | 179.9° |
| C3 | C4 | C5 | H42 | 120.6° | 119.9° |
| C3 | C4 | C5 | H41 | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 20.8° | 59.9° |
| C4 | C3 | C2 | HC2 | 49.0° | 60.0° |
| C4 | C3 | H31 | H32 | 120.4° | 119.9° |
| C3 | C4 | C5 | H52 | 99.8° | 60.0° |
| C3 | C4 | C5 | H51 | 141.4° | 180.0° |
| C3 | C4 | H42 | H41 | 118.1° | 120.0° |
| C4 | C5 | C6 | H52 | 120.6° | 120.0° |
| C4 | C5 | C6 | H51 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 55.1° | 59.9° |
| C5 | C4 | C3 | H31 | 158.5° | 180.0° |
| C5 | C4 | C3 | H32 | 81.3° | 60.1° |
| C4 | C5 | H52 | H51 | 118.2° | 120.0° |
| C4 | C5 | C6 | H62 | 175.4° | 60.0° |
| C4 | C5 | C6 | H61 | 65.3° | 180.0° |
| C5 | C4 | H42 | H41 | 118.1° | 120.1° |
| C5 | C6 | C7 | H62 | 120.4° | 120.0° |
| C5 | C6 | C7 | H61 | 120.3° | 120.0° |
| C6 | C5 | H52 | H51 | 118.1° | 120.0° |
| C5 | C6 | H62 | H61 | 118.9° | 120.0° |
| C5 | C6 | C7 | H71 | 147.3° | 60.0° |
| C5 | C6 | C7 | H72 | 93.9° | 180.0° |
| C6 | C5 | C4 | H42 | 141.4° | 60.0° |
| C6 | C5 | C4 | H41 | 99.8° | 180.0° |
| C6 | C7 | C2 | HC2 | 83.3° | 60.0° |
| C7 | C6 | C5 | H52 | 65.6° | 60.0° |
| C7 | C6 | C5 | H51 | 175.7° | 180.0° |
| C7 | C6 | H62 | H61 | 118.9° | 120.0° |
| C6 | C7 | H71 | H72 | 118.1° | 120.0° |
| O2 | C8 | H82 | H81 | 122.2° | 120.0° |
| C9 | O2 | C8 | H82 | 67.6° | 60.0° |
| C9 | O2 | C8 | H81 | 170.9° | 60.0° |
| O2 | C9 | C10 | HC10 | 0.0° | 0.2° |
| O2 | C9 | C29 | HC29 | 0.6° | 0.1° |
| HC2 | C2 | C3 | H31 | 70.9° | 60.0° |
| HC2 | C2 | C3 | H32 | 168.9° | 179.9° |
| HC2 | C2 | C7 | H71 | 156.1° | 180.0° |
| HC2 | C2 | C7 | H72 | 37.3° | 60.0° |
| HC2 | C2 | N1 | HN1 | 148.3° | 145.0° |
| H31 | C3 | C4 | H42 | 37.9° | 60.1° |
| H31 | C3 | C4 | H41 | 80.9° | 59.9° |
| H32 | C3 | C4 | H42 | 158.1° | 180.0° |
| H32 | C3 | C4 | H41 | 39.4° | 60.0° |
| H52 | C5 | C6 | H62 | 54.8° | 180.0° |
| H52 | C5 | C6 | H61 | 174.1° | 60.0° |
| H52 | C5 | C4 | H42 | 20.8° | 179.9° |
| H52 | C5 | C4 | H41 | 139.6° | 60.0° |
| H51 | C5 | C6 | H62 | 64.0° | 60.0° |
| H51 | C5 | C6 | H61 | 55.3° | 60.0° |
| H51 | C5 | C4 | H42 | 98.0° | 60.1° |
| H51 | C5 | C4 | H41 | 20.8° | 60.0° |
| H62 | C6 | C7 | H71 | 92.4° | 180.0° |
| H62 | C6 | C7 | H72 | 26.4° | 60.0° |
| H61 | C6 | C7 | H71 | 26.9° | 60.0° |
| H61 | C6 | C7 | H72 | 145.7° | 60.0° |
| H181 | C18 | C19 | H191 | 165.2° | 179.7° |
| H181 | C18 | C19 | H192 | 73.7° | 59.7° |
| H182 | C18 | C19 | H191 | 74.4° | 59.7° |
| H182 | C18 | C19 | H192 | 46.7° | 60.9° |
| HC14 | C14 | C23 | H232 | 177.4° | 65.0° |
| HC14 | C14 | C23 | H231 | 58.4° | 175.0° |
| HC21 | C21 | C22 | HC22 | 0.6° | 0.1° |
| HC25 | C25 | C26 | HC26 | 0.8° | 0.0° |
| HC28 | C28 | C29 | HC29 | 0.5° | 0.0° |
