6IG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C1 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | N3 | sing | 1.38Å | 1.38Å | |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | N4 | sing | 1.38Å | 1.33Å | |
| N2 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C12 | sing | 1.48Å | 1.50Å | Aromatic |
| N3 | C20 | sing | 1.46Å | 1.47Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | C13 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | N5 | sing | 1.39Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | N5 | sing | 1.46Å | 1.49Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N5 | C16 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O1 | sing | 1.43Å | 1.41Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O1 | C19 | sing | 1.43Å | 1.41Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C25 | sing | 1.51Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C4 | 123.1° | 118.8° |
| N1 | C1 | N3 | 114.8° | 120.6° |
| C1 | N1 | C2 | 117.5° | 120.8° |
| C4 | C1 | N3 | 122.0° | 120.6° |
| C1 | C4 | C3 | 114.6° | 118.3° |
| C1 | C4 | C12 | 122.8° | 120.9° |
| C1 | N3 | C20 | 119.6° | 120.1° |
| C1 | N3 | HN3 | 106.2° | 120.0° |
| N1 | C2 | N2 | 124.4° | 122.0° |
| N1 | C2 | N4 | 116.1° | 119.0° |
| N2 | C2 | N4 | 119.5° | 119.0° |
| C2 | N2 | C3 | 119.6° | 121.0° |
| C2 | N4 | HN41 | 109.5° | 120.0° |
| C2 | N4 | HN42 | 109.5° | 120.0° |
| N2 | C3 | C4 | 120.8° | 119.1° |
| N2 | C3 | C5 | 114.7° | 120.4° |
| C4 | C3 | C5 | 124.5° | 120.5° |
| C3 | C4 | C12 | 122.7° | 120.8° |
| C3 | C5 | C6 | 111.7° | 109.5° |
| C3 | C5 | H51 | 108.7° | 109.5° |
| C3 | C5 | H52 | 108.2° | 109.5° |
| C4 | C12 | C7 | 124.6° | 120.2° |
| C4 | C12 | C11 | 117.1° | 120.1° |
| C20 | N3 | HN3 | 106.2° | 120.0° |
| N3 | C20 | C21 | 112.6° | 109.5° |
| N3 | C20 | H201 | 108.4° | 109.5° |
| N3 | C20 | H202 | 107.7° | 109.5° |
| HN41 | N4 | HN42 | 109.5° | 120.0° |
| C6 | C5 | H51 | 108.8° | 109.5° |
| C6 | C5 | H52 | 108.3° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| H51 | C5 | H52 | 111.2° | 109.4° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.4° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| C8 | C7 | C12 | 119.9° | 119.6° |
| C8 | C7 | H7 | 120.1° | 120.2° |
| C7 | C8 | C9 | 121.5° | 120.7° |
| C7 | C8 | H8 | 119.2° | 119.6° |
| C12 | C7 | H7 | 120.0° | 120.2° |
| C7 | C12 | C11 | 118.2° | 119.7° |
| C9 | C8 | H8 | 119.2° | 119.6° |
| C8 | C9 | C10 | 118.8° | 120.2° |
| C8 | C9 | C13 | 119.8° | 117.6° |
| C10 | C9 | C13 | 121.4° | 122.2° |
| C9 | C10 | C11 | 117.7° | 119.3° |
| C9 | C10 | N5 | 120.6° | 123.9° |
| C9 | C13 | C14 | 113.0° | 109.3° |
| C9 | C13 | H131 | 108.3° | 109.5° |
| C9 | C13 | H132 | 107.5° | 109.5° |
| C11 | C10 | N5 | 121.7° | 116.8° |
| C10 | C11 | C12 | 123.8° | 120.5° |
| C10 | C11 | H11 | 118.1° | 119.8° |
| C10 | N5 | C15 | 121.5° | 109.9° |
| C10 | N5 | C16 | 122.7° | 106.7° |
| C12 | C11 | H11 | 118.1° | 119.7° |
| C14 | C13 | H131 | 108.3° | 109.5° |
| C14 | C13 | H132 | 107.5° | 109.5° |
| C13 | C14 | C15 | 112.3° | 107.4° |
| C13 | C14 | H141 | 108.5° | 109.8° |
| C13 | C14 | H142 | 107.9° | 109.9° |
| H131 | C13 | H132 | 112.3° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.9° |
| C15 | C14 | H142 | 107.9° | 109.9° |
| C14 | C15 | N5 | 114.4° | 108.9° |
| C14 | C15 | H151 | 107.9° | 109.6° |
| C14 | C15 | H152 | 106.7° | 109.5° |
| H141 | C14 | H142 | 111.7° | 109.9° |
| N5 | C15 | H151 | 107.9° | 109.6° |
| N5 | C15 | H152 | 106.8° | 109.6° |
| C15 | N5 | C16 | 115.8° | 106.7° |
| H151 | C15 | H152 | 113.4° | 109.6° |
| N5 | C16 | C17 | 114.8° | 109.4° |
| N5 | C16 | H161 | 107.7° | 109.4° |
| N5 | C16 | H162 | 106.5° | 109.5° |
| C17 | C16 | H161 | 107.7° | 109.5° |
| C17 | C16 | H162 | 106.5° | 109.5° |
| C16 | C17 | C18 | 110.4° | 109.5° |
| C16 | C17 | H171 | 109.1° | 109.5° |
| C16 | C17 | H172 | 109.0° | 109.5° |
| H161 | C16 | H162 | 113.8° | 109.5° |
| C18 | C17 | H171 | 109.2° | 109.4° |
| C18 | C17 | H172 | 109.0° | 109.4° |
| C17 | C18 | O1 | 111.0° | 109.5° |
| C17 | C18 | H181 | 108.9° | 109.5° |
| C17 | C18 | H182 | 108.6° | 109.5° |
| H171 | C17 | H172 | 110.2° | 109.5° |
| O1 | C18 | H181 | 109.0° | 109.5° |
| O1 | C18 | H182 | 108.6° | 109.5° |
| C18 | O1 | C19 | 114.2° | 106.8° |
| H181 | C18 | H182 | 110.7° | 109.4° |
| O1 | C19 | H191 | 109.5° | 109.4° |
| O1 | C19 | H192 | 109.4° | 109.4° |
| O1 | C19 | H193 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.6° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| C21 | C20 | H201 | 108.4° | 109.5° |
| C21 | C20 | H202 | 107.7° | 109.5° |
| C20 | C21 | C25 | 114.2° | 109.5° |
| C20 | C21 | H211 | 107.9° | 109.5° |
| C20 | C21 | H212 | 106.8° | 109.5° |
| H201 | C20 | H202 | 111.9° | 109.4° |
| C25 | C21 | H211 | 107.9° | 109.5° |
| C25 | C21 | H212 | 106.9° | 109.4° |
| C21 | C25 | C24 | 118.3° | 120.0° |
| C21 | C25 | C26 | 123.0° | 120.0° |
| H211 | C21 | H212 | 113.3° | 109.4° |
| C23 | C22 | C27 | 120.1° | 120.1° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.0° | 119.9° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C27 | C22 | H22 | 119.9° | 119.9° |
| C22 | C27 | C26 | 119.9° | 120.0° |
| C22 | C27 | H27 | 120.0° | 120.1° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C23 | C24 | H24 | 119.5° | 119.9° |
| C25 | C24 | H24 | 119.5° | 120.0° |
| C24 | C25 | C26 | 118.7° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C26 | C27 | H27 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C4 | N3 | 179.8° | 179.8° |
| C1 | N1 | C2 | N2 | 1.3° | 0.1° |
| C1 | N1 | C2 | N4 | 178.6° | 180.0° |
| N1 | C1 | C4 | C3 | 0.5° | 0.4° |
| N1 | C1 | C4 | C12 | 178.9° | 180.0° |
| N1 | C1 | N3 | C20 | 1.2° | 5.6° |
| N1 | C1 | N3 | HN3 | 118.8° | 174.4° |
| C4 | C1 | N1 | C2 | 0.5° | 0.2° |
| C1 | C4 | C3 | N2 | 0.8° | 0.4° |
| C1 | C4 | C3 | C12 | 179.4° | 179.6° |
| C1 | C4 | C3 | C5 | 179.5° | 179.8° |
| C4 | C1 | N3 | C20 | 179.0° | 174.7° |
| C4 | C1 | N3 | HN3 | 61.0° | 5.4° |
| C1 | C4 | C12 | C7 | 92.2° | 111.5° |
| C1 | C4 | C12 | C11 | 88.4° | 68.7° |
| N3 | C1 | N1 | C2 | 179.7° | 180.0° |
| N3 | C1 | C4 | C3 | 179.3° | 179.8° |
| N3 | C1 | C4 | C12 | 1.2° | 0.2° |
| C1 | N3 | C20 | HN3 | 120.0° | 180.0° |
| C1 | N3 | C20 | C21 | 98.6° | 175.1° |
| C1 | N3 | C20 | H201 | 21.4° | 55.1° |
| C1 | N3 | C20 | H202 | 142.7° | 64.9° |
| N1 | C2 | N2 | N4 | 179.9° | 179.9° |
| N1 | C2 | N2 | C3 | 1.1° | 0.0° |
| N1 | C2 | N4 | HN41 | 146.1° | 180.0° |
| N1 | C2 | N4 | HN42 | 93.9° | 0.1° |
| C2 | N2 | C3 | C4 | 0.1° | 0.2° |
| C2 | N2 | C3 | C5 | 179.8° | 180.0° |
| N2 | C2 | N4 | HN41 | 34.1° | 0.1° |
| N2 | C2 | N4 | HN42 | 86.0° | 180.0° |
| N4 | C2 | N2 | C3 | 178.8° | 180.0° |
| C2 | N4 | HN41 | HN42 | 120.0° | 179.9° |
| N2 | C3 | C4 | C5 | 179.7° | 179.8° |
| N2 | C3 | C4 | C12 | 178.7° | 180.0° |
| N2 | C3 | C5 | C6 | 80.7° | 90.0° |
| N2 | C3 | C5 | H51 | 39.3° | 30.0° |
| N2 | C3 | C5 | H52 | 160.2° | 150.0° |
| C4 | C3 | C5 | C6 | 99.0° | 90.3° |
| C4 | C3 | C5 | H51 | 140.9° | 149.7° |
| C4 | C3 | C5 | H52 | 20.1° | 29.8° |
| C3 | C4 | C12 | C7 | 88.5° | 68.9° |
| C3 | C4 | C12 | C11 | 91.0° | 110.9° |
| C5 | C3 | C4 | C12 | 1.0° | 0.2° |
| C3 | C5 | C6 | H51 | 120.0° | 120.0° |
| C3 | C5 | C6 | H52 | 119.1° | 120.0° |
| C3 | C5 | H51 | H52 | 119.1° | 120.0° |
| C3 | C5 | C6 | H61 | 66.6° | 180.0° |
| C3 | C5 | C6 | H62 | 53.3° | 60.0° |
| C3 | C5 | C6 | H63 | 173.3° | 60.0° |
| C4 | C12 | C7 | C8 | 179.3° | 179.8° |
| C4 | C12 | C7 | C11 | 179.4° | 179.7° |
| C4 | C12 | C7 | H7 | 0.8° | 0.2° |
| C4 | C12 | C11 | C10 | 179.3° | 179.8° |
| C4 | C12 | C11 | H11 | 0.6° | 0.0° |
| N3 | C20 | C21 | H201 | 120.0° | 120.0° |
| N3 | C20 | C21 | H202 | 118.6° | 120.1° |
| N3 | C20 | H201 | H202 | 118.7° | 120.0° |
| N3 | C20 | C21 | C25 | 58.4° | 175.4° |
| N3 | C20 | C21 | H211 | 61.6° | 55.4° |
| N3 | C20 | C21 | H212 | 176.3° | 64.6° |
| HN3 | N3 | C20 | C21 | 141.3° | 4.9° |
| HN3 | N3 | C20 | H201 | 98.6° | 124.9° |
| HN3 | N3 | C20 | H202 | 22.7° | 115.1° |
| C6 | C5 | H51 | H52 | 119.1° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| H51 | C5 | C6 | H61 | 173.4° | 60.1° |
| H51 | C5 | C6 | H62 | 66.7° | 60.0° |
| H51 | C5 | C6 | H63 | 53.3° | NaN° |
| H52 | C5 | C6 | H61 | 52.5° | 59.9° |
| H52 | C5 | C6 | H62 | 172.4° | 180.0° |
| H52 | C5 | C6 | H63 | 67.6° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 119.9° |
| C8 | C7 | C12 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.2° |
| C7 | C8 | C9 | C13 | 179.8° | 179.5° |
| C8 | C7 | C12 | C11 | 0.2° | 0.4° |
| C12 | C7 | C8 | C9 | 0.1° | 0.1° |
| C12 | C7 | C8 | H8 | 179.9° | 179.9° |
| C7 | C12 | C11 | C10 | 0.1° | 0.5° |
| C7 | C12 | C11 | H11 | 179.9° | 179.7° |
| H7 | C7 | C8 | C9 | 179.9° | 179.9° |
| H7 | C7 | C8 | H8 | 0.1° | 0.2° |
| H7 | C7 | C12 | C11 | 179.8° | 179.5° |
| C8 | C9 | C10 | C13 | 179.8° | 179.7° |
| C8 | C9 | C10 | C11 | 0.0° | 0.2° |
| C8 | C9 | C10 | N5 | 179.8° | 179.4° |
| C8 | C9 | C13 | C14 | 156.9° | 167.6° |
| C8 | C9 | C13 | H131 | 83.1° | 72.4° |
| C8 | C9 | C13 | H132 | 38.5° | 47.7° |
| H8 | C8 | C9 | C10 | 180.0° | 179.8° |
| H8 | C8 | C9 | C13 | 0.1° | 0.5° |
| C9 | C10 | C11 | N5 | 179.9° | 179.6° |
| C9 | C10 | C11 | C12 | 0.0° | 0.2° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | C13 | C14 | 23.3° | 12.7° |
| C10 | C9 | C13 | H131 | 96.7° | 107.2° |
| C10 | C9 | C13 | H132 | 141.7° | 132.7° |
| C9 | C10 | N5 | C15 | 0.4° | 23.8° |
| C9 | C10 | N5 | C16 | 176.2° | 139.1° |
| C13 | C9 | C10 | C11 | 179.8° | 179.5° |
| C13 | C9 | C10 | N5 | 0.0° | 0.9° |
| C9 | C13 | C14 | H131 | 120.0° | 119.9° |
| C9 | C13 | C14 | H132 | 118.4° | 120.0° |
| C9 | C13 | H131 | H132 | 118.6° | 120.1° |
| C9 | C13 | C14 | C15 | 44.3° | 44.8° |
| C9 | C13 | C14 | H141 | 164.3° | 164.3° |
| C9 | C13 | C14 | H142 | 74.5° | 74.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C11 | C10 | N5 | C15 | 179.7° | 156.6° |
| C11 | C10 | N5 | C16 | 3.7° | 41.3° |
| N5 | C10 | C11 | C12 | 179.9° | 179.8° |
| N5 | C10 | C11 | H11 | 0.1° | 0.4° |
| C10 | N5 | C15 | C14 | 22.5° | 58.1° |
| C10 | N5 | C15 | C16 | 176.8° | 115.3° |
| C10 | N5 | C15 | H151 | 142.4° | 61.7° |
| C10 | N5 | C15 | H152 | 95.4° | 177.9° |
| C10 | N5 | C16 | C17 | 81.9° | 172.0° |
| C10 | N5 | C16 | H161 | 158.2° | 68.1° |
| C10 | N5 | C16 | H162 | 35.7° | 52.0° |
| C14 | C13 | H131 | H132 | 118.5° | 120.1° |
| C13 | C14 | C15 | H141 | 120.0° | 119.4° |
| C13 | C14 | C15 | H142 | 118.8° | 119.5° |
| C13 | C14 | H141 | H142 | 118.8° | 121.0° |
| C13 | C14 | C15 | N5 | 44.5° | 70.9° |
| C13 | C14 | C15 | H151 | 164.5° | 48.9° |
| C13 | C14 | C15 | H152 | 73.3° | 169.2° |
| H131 | C13 | C14 | C15 | 75.7° | 75.1° |
| H131 | C13 | C14 | H141 | 44.3° | 44.4° |
| H131 | C13 | C14 | H142 | 165.6° | 165.4° |
| H132 | C13 | C14 | C15 | 162.8° | 164.8° |
| H132 | C13 | C14 | H141 | 77.2° | 75.7° |
| H132 | C13 | C14 | H142 | 44.0° | 45.3° |
| C15 | C14 | H141 | H142 | 118.8° | 121.0° |
| C14 | C15 | N5 | H151 | 120.0° | 119.8° |
| C14 | C15 | N5 | H152 | 117.8° | 119.8° |
| C14 | C15 | H151 | H152 | 118.0° | 120.3° |
| C14 | C15 | N5 | C16 | 160.7° | 173.4° |
| H141 | C14 | C15 | N5 | 164.5° | 169.6° |
| H141 | C14 | C15 | H151 | 75.5° | 70.5° |
| H141 | C14 | C15 | H152 | 46.7° | 49.8° |
| H142 | C14 | C15 | N5 | 74.3° | 48.6° |
| H142 | C14 | C15 | H151 | 45.7° | 168.4° |
| H142 | C14 | C15 | H152 | 167.9° | 71.3° |
| N5 | C15 | H151 | H152 | 118.0° | 120.4° |
| C15 | N5 | C16 | C17 | 101.3° | 54.5° |
| C15 | N5 | C16 | H161 | 18.6° | 174.5° |
| C15 | N5 | C16 | H162 | 141.1° | 65.5° |
| H151 | C15 | N5 | C16 | 40.7° | 53.6° |
| H152 | C15 | N5 | C16 | 81.5° | 66.8° |
| N5 | C16 | C17 | H161 | 120.0° | 119.9° |
| N5 | C16 | C17 | H162 | 117.6° | 120.0° |
| N5 | C16 | H161 | H162 | 117.8° | 120.1° |
| N5 | C16 | C17 | C18 | 157.9° | 177.3° |
| N5 | C16 | C17 | H171 | 37.9° | 62.7° |
| N5 | C16 | C17 | H172 | 82.5° | 57.4° |
| C17 | C16 | H161 | H162 | 117.8° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.0° |
| C16 | C17 | C18 | H172 | 119.6° | 120.0° |
| C16 | C17 | H171 | H172 | 119.6° | 120.1° |
| C16 | C17 | C18 | O1 | 151.8° | 175.2° |
| C16 | C17 | C18 | H181 | 31.7° | 55.2° |
| C16 | C17 | C18 | H182 | 88.9° | 64.7° |
| H161 | C16 | C17 | C18 | 82.1° | 57.4° |
| H161 | C16 | C17 | H171 | 157.9° | 177.3° |
| H161 | C16 | C17 | H172 | 37.5° | 62.6° |
| H162 | C16 | C17 | C18 | 40.3° | 62.7° |
| H162 | C16 | C17 | H171 | 79.7° | 57.3° |
| H162 | C16 | C17 | H172 | 160.0° | 177.4° |
| C18 | C17 | H171 | H172 | 119.6° | 120.0° |
| C17 | C18 | O1 | H181 | 120.0° | 120.0° |
| C17 | C18 | O1 | H182 | 119.3° | 120.0° |
| C17 | C18 | H181 | H182 | 119.3° | 120.0° |
| C17 | C18 | O1 | C19 | 179.8° | 175.5° |
| H171 | C17 | C18 | O1 | 88.3° | 64.8° |
| H171 | C17 | C18 | H181 | 151.7° | 175.2° |
| H171 | C17 | C18 | H182 | 31.1° | 55.3° |
| H172 | C17 | C18 | O1 | 32.1° | 55.2° |
| H172 | C17 | C18 | H181 | 87.9° | 64.8° |
| H172 | C17 | C18 | H182 | 151.4° | 175.3° |
| O1 | C18 | H181 | H182 | 119.4° | 120.0° |
| C18 | O1 | C19 | H191 | 120.5° | 55.4° |
| C18 | O1 | C19 | H192 | 119.5° | 64.6° |
| C18 | O1 | C19 | H193 | 0.6° | 175.5° |
| H181 | C18 | O1 | C19 | 60.2° | 64.5° |
| H182 | C18 | O1 | C19 | 60.5° | 55.4° |
| O1 | C19 | H191 | H192 | 120.0° | 120.0° |
| O1 | C19 | H191 | H193 | 120.0° | 120.0° |
| O1 | C19 | H192 | H193 | 120.0° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| C21 | C20 | H201 | H202 | 118.7° | 120.0° |
| C20 | C21 | C25 | H211 | 120.0° | 120.0° |
| C20 | C21 | C25 | H212 | 117.9° | 120.0° |
| C20 | C21 | H211 | H212 | 118.0° | 120.0° |
| C20 | C21 | C25 | C24 | 103.0° | 85.7° |
| C20 | C21 | C25 | C26 | 76.9° | 94.7° |
| H201 | C20 | C21 | C25 | 178.5° | 64.6° |
| H201 | C20 | C21 | H211 | 58.4° | 175.4° |
| H201 | C20 | C21 | H212 | 63.6° | 55.4° |
| H202 | C20 | C21 | C25 | 60.2° | 55.3° |
| H202 | C20 | C21 | H211 | 179.8° | 64.7° |
| H202 | C20 | C21 | H212 | 57.7° | 175.3° |
| C25 | C21 | H211 | H212 | 118.1° | 120.0° |
| C21 | C25 | C24 | C23 | 179.9° | 180.0° |
| C21 | C25 | C24 | C26 | 179.9° | 179.7° |
| C21 | C25 | C24 | H24 | 0.1° | 0.1° |
| C21 | C25 | C26 | C27 | 180.0° | 179.8° |
| C21 | C25 | C26 | H26 | 0.0° | 0.3° |
| H211 | C21 | C25 | C24 | 137.0° | 34.4° |
| H211 | C21 | C25 | C26 | 43.2° | 145.3° |
| H212 | C21 | C25 | C24 | 14.8° | 154.3° |
| H212 | C21 | C25 | C26 | 165.3° | 25.3° |
| C23 | C22 | C27 | H22 | 180.0° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H24 | 179.9° | 179.9° |
| C23 | C22 | C27 | C26 | 0.0° | 0.2° |
| C23 | C22 | C27 | H27 | 180.0° | 180.0° |
| C27 | C22 | C23 | C24 | 0.1° | 0.0° |
| C27 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.5° |
| C22 | C27 | C26 | H27 | 180.0° | 179.8° |
| C22 | C27 | C26 | H26 | 179.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.9° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H22 | C22 | C27 | C26 | 179.9° | 179.8° |
| H22 | C22 | C27 | H27 | 0.1° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.4° |
| H23 | C23 | C24 | C25 | 179.9° | 179.9° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| C24 | C25 | C26 | C27 | 0.1° | 0.6° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| H24 | C24 | C25 | C26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H26 | 180.0° | 179.5° |
| C25 | C26 | C27 | H27 | 180.0° | 179.7° |
| H26 | C26 | C27 | H27 | 0.1° | 0.2° |
