254
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.47Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | O2 | sing | 1.35Å | 1.27Å | |
| C2 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C2 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C23 | sing | 1.53Å | 1.51Å | |
| C16 | C24 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C25 | sing | 1.53Å | 1.54Å | |
| C19 | C26 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.44Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.34Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | N1 | doub | 1.30Å | 1.34Å | |
| N1 | O3 | sing | 1.42Å | 1.36Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 120.1° | 120.0° |
| C2 | C1 | O2 | 115.8° | 120.0° |
| C1 | C2 | C3 | 117.2° | 119.8° |
| C1 | C2 | C11 | 122.9° | 119.8° |
| O1 | C1 | O2 | 124.1° | 119.9° |
| C1 | O2 | HO2 | 109.5° | 120.0° |
| C3 | C2 | C11 | 119.9° | 120.4° |
| C2 | C3 | C4 | 118.3° | 120.8° |
| C2 | C3 | H3 | 120.9° | 119.6° |
| C2 | C11 | C10 | 121.0° | 119.6° |
| C2 | C11 | H11 | 119.5° | 120.2° |
| C4 | C3 | H3 | 120.8° | 119.6° |
| C3 | C4 | C5 | 122.4° | 120.0° |
| C3 | C4 | H4 | 118.8° | 119.9° |
| C5 | C4 | H4 | 118.8° | 120.0° |
| C4 | C5 | C10 | 118.7° | 119.6° |
| C4 | C5 | C6 | 120.8° | 120.8° |
| C10 | C5 | C6 | 120.5° | 119.5° |
| C5 | C10 | C11 | 119.7° | 119.5° |
| C5 | C10 | C9 | 118.1° | 119.6° |
| C5 | C6 | C7 | 122.1° | 119.5° |
| C5 | C6 | H6 | 119.0° | 120.3° |
| C11 | C10 | C9 | 122.2° | 120.9° |
| C10 | C11 | H11 | 119.5° | 120.2° |
| C10 | C9 | C8 | 118.6° | 120.0° |
| C10 | C9 | H9 | 120.7° | 120.0° |
| C16 | C15 | C20 | 121.8° | 122.6° |
| C16 | C15 | C14 | 120.8° | 117.6° |
| C15 | C16 | C17 | 111.1° | 110.6° |
| C15 | C16 | C23 | 109.4° | 109.2° |
| C15 | C16 | C24 | 108.5° | 109.2° |
| C20 | C15 | C14 | 117.4° | 119.8° |
| C15 | C20 | C19 | 124.3° | 122.5° |
| C15 | C20 | C21 | 119.5° | 119.9° |
| C15 | C14 | C13 | 121.8° | 120.4° |
| C15 | C14 | H14 | 119.1° | 119.8° |
| C17 | C16 | C23 | 110.6° | 109.2° |
| C17 | C16 | C24 | 107.5° | 109.3° |
| C16 | C17 | C18 | 114.3° | 108.4° |
| C16 | C17 | H171 | 106.8° | 109.7° |
| C16 | C17 | H172 | 107.9° | 109.7° |
| C23 | C16 | C24 | 109.7° | 109.3° |
| C16 | C23 | H231 | 109.5° | 109.5° |
| C16 | C23 | H232 | 109.5° | 109.5° |
| C16 | C23 | H233 | 109.5° | 109.4° |
| C16 | C24 | H241 | 109.5° | 109.5° |
| C16 | C24 | H242 | 109.5° | 109.4° |
| C16 | C24 | H243 | 109.5° | 109.5° |
| C18 | C17 | H171 | 106.8° | 109.7° |
| C18 | C17 | H172 | 107.9° | 109.7° |
| C17 | C18 | C19 | 113.1° | 108.4° |
| C17 | C18 | H181 | 107.5° | 109.7° |
| C17 | C18 | H182 | 108.3° | 109.7° |
| H171 | C17 | H172 | 113.3° | 109.7° |
| C19 | C18 | H181 | 107.5° | 109.7° |
| C19 | C18 | H182 | 108.3° | 109.6° |
| C18 | C19 | C20 | 109.9° | 110.6° |
| C18 | C19 | C25 | 102.8° | 109.3° |
| C18 | C19 | C26 | 115.0° | 109.2° |
| H181 | C18 | H182 | 112.3° | 109.7° |
| C20 | C19 | C25 | 109.4° | 109.3° |
| C20 | C19 | C26 | 110.7° | 109.3° |
| C19 | C20 | C21 | 116.2° | 117.6° |
| C25 | C19 | C26 | 108.7° | 109.2° |
| C19 | C25 | H251 | 109.5° | 109.5° |
| C19 | C25 | H252 | 109.5° | 109.4° |
| C19 | C25 | H253 | 109.5° | 109.5° |
| C19 | C26 | H261 | 109.4° | 109.5° |
| C19 | C26 | H262 | 109.5° | 109.5° |
| C19 | C26 | H263 | 109.5° | 109.5° |
| C20 | C21 | C22 | 121.9° | 120.7° |
| C20 | C21 | H21 | 119.0° | 119.7° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| C7 | C6 | H6 | 118.9° | 120.2° |
| C6 | C7 | C8 | 114.4° | 120.5° |
| C6 | C7 | C12 | 127.3° | 119.7° |
| C8 | C7 | C12 | 118.4° | 119.7° |
| C7 | C8 | C9 | 126.3° | 120.9° |
| C7 | C8 | H8 | 116.8° | 119.6° |
| C7 | C12 | C13 | 122.4° | 120.0° |
| C7 | C12 | N1 | 122.2° | 120.0° |
| C9 | C8 | H8 | 116.8° | 119.5° |
| C8 | C9 | H9 | 120.7° | 120.0° |
| C14 | C13 | C22 | 118.5° | 119.5° |
| C14 | C13 | C12 | 114.9° | 120.2° |
| C13 | C14 | H14 | 119.1° | 119.8° |
| C22 | C13 | C12 | 126.6° | 120.2° |
| C13 | C22 | C21 | 120.8° | 119.6° |
| C13 | C22 | H22 | 119.6° | 120.2° |
| C13 | C12 | N1 | 115.4° | 120.0° |
| C22 | C21 | H21 | 119.0° | 119.6° |
| C21 | C22 | H22 | 119.6° | 120.2° |
| C12 | N1 | O3 | 119.8° | 120.0° |
| N1 | O3 | HO3 | 109.5° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.1° | 179.9° |
| C1 | C2 | C3 | C11 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.1° |
| C1 | C2 | C11 | C10 | 180.0° | 180.0° |
| C1 | C2 | C11 | H11 | 0.0° | 0.1° |
| C2 | C1 | O2 | HO2 | 179.2° | 180.0° |
| O1 | C1 | C2 | C3 | 7.9° | 180.0° |
| O1 | C1 | C2 | C11 | 171.8° | 0.1° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.1° |
| O2 | C1 | C2 | C3 | 171.3° | 0.1° |
| O2 | C1 | C2 | C11 | 9.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C11 | C10 | 0.2° | 0.0° |
| C3 | C2 | C11 | H11 | 179.8° | 179.9° |
| C11 | C2 | C3 | C4 | 0.1° | 0.0° |
| C11 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C11 | C10 | C5 | 0.1° | 0.0° |
| C2 | C11 | C10 | H11 | 180.0° | 179.9° |
| C2 | C11 | C10 | C9 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C10 | 0.2° | 0.0° |
| C3 | C4 | C5 | C6 | 179.6° | 179.8° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C10 | C6 | 179.8° | 179.8° |
| C4 | C5 | C10 | C11 | 0.1° | 0.0° |
| C4 | C5 | C10 | C9 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 179.8° |
| C4 | C5 | C6 | H6 | 0.3° | 0.0° |
| H4 | C4 | C5 | C10 | 179.8° | 179.9° |
| H4 | C4 | C5 | C6 | 0.4° | 0.3° |
| C5 | C10 | C11 | C9 | 179.8° | 180.0° |
| C5 | C10 | C11 | H11 | 179.9° | 179.9° |
| C10 | C5 | C6 | C7 | 0.6° | 0.5° |
| C10 | C5 | C6 | H6 | 179.5° | 179.8° |
| C5 | C10 | C9 | C8 | 0.0° | 0.0° |
| C5 | C10 | C9 | H9 | 180.0° | 180.0° |
| C6 | C5 | C10 | C11 | 179.7° | 179.7° |
| C6 | C5 | C10 | C9 | 0.1° | 0.2° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 0.8° | 0.4° |
| C5 | C6 | C7 | C12 | 179.6° | 179.7° |
| C11 | C10 | C9 | C8 | 179.7° | 180.0° |
| C11 | C10 | C9 | H9 | 0.3° | 0.1° |
| C9 | C10 | C11 | H11 | 0.3° | 0.1° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C16 | C15 | C20 | C14 | 179.6° | 179.8° |
| C15 | C16 | C17 | C23 | 121.7° | 120.2° |
| C15 | C16 | C17 | C24 | 118.6° | 120.3° |
| C15 | C16 | C23 | C24 | 118.9° | 119.5° |
| C15 | C16 | C17 | C18 | 41.8° | 51.1° |
| C15 | C16 | C17 | H171 | 159.7° | 68.6° |
| C15 | C16 | C17 | H172 | 78.2° | 170.8° |
| C16 | C15 | C20 | C19 | 0.3° | 0.7° |
| C16 | C15 | C20 | C21 | 179.8° | 179.7° |
| C15 | C16 | C23 | H231 | 156.8° | 58.9° |
| C15 | C16 | C23 | H232 | 83.2° | 61.1° |
| C15 | C16 | C23 | H233 | 36.8° | 178.9° |
| C15 | C16 | C24 | H241 | 43.6° | 58.9° |
| C15 | C16 | C24 | H242 | 76.4° | 178.9° |
| C15 | C16 | C24 | H243 | 163.5° | 61.1° |
| C16 | C15 | C14 | C13 | 179.8° | 179.7° |
| C16 | C15 | C14 | H14 | 0.2° | 0.3° |
| C20 | C15 | C16 | C17 | 11.8° | 17.8° |
| C20 | C15 | C16 | C23 | 110.6° | 138.0° |
| C20 | C15 | C16 | C24 | 129.8° | 102.5° |
| C15 | C20 | C19 | C18 | 15.5° | 17.7° |
| C15 | C20 | C19 | C21 | 180.0° | 179.6° |
| C15 | C20 | C19 | C25 | 127.7° | 138.1° |
| C15 | C20 | C19 | C26 | 112.6° | 102.5° |
| C20 | C15 | C14 | C13 | 0.3° | 0.2° |
| C20 | C15 | C14 | H14 | 179.8° | 179.9° |
| C15 | C20 | C21 | C22 | 0.3° | 0.1° |
| C15 | C20 | C21 | H21 | 179.7° | 179.9° |
| C14 | C15 | C16 | C17 | 167.8° | 162.4° |
| C14 | C15 | C16 | C23 | 69.8° | 42.2° |
| C14 | C15 | C16 | C24 | 49.8° | 77.3° |
| C14 | C15 | C20 | C19 | 179.9° | 179.5° |
| C14 | C15 | C20 | C21 | 0.2° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C22 | 0.4° | 0.1° |
| C15 | C14 | C13 | C12 | 179.8° | 180.0° |
| C17 | C16 | C23 | C24 | 118.4° | 119.5° |
| C16 | C17 | C18 | H171 | 117.9° | 119.7° |
| C16 | C17 | C18 | H172 | 120.0° | 119.7° |
| C16 | C17 | H171 | H172 | 118.7° | 120.5° |
| C16 | C17 | C18 | C19 | 60.9° | 69.9° |
| C16 | C17 | C18 | H181 | 57.5° | 170.3° |
| C16 | C17 | C18 | H182 | 179.1° | 49.7° |
| C17 | C16 | C23 | H231 | 80.5° | 180.0° |
| C17 | C16 | C23 | H232 | 39.5° | 60.0° |
| C17 | C16 | C23 | H233 | 159.5° | 60.0° |
| C17 | C16 | C24 | H241 | 163.8° | 180.0° |
| C17 | C16 | C24 | H242 | 43.8° | 60.0° |
| C17 | C16 | C24 | H243 | 76.2° | 60.0° |
| C23 | C16 | C17 | C18 | 79.9° | 171.4° |
| C23 | C16 | C17 | H171 | 38.0° | 51.6° |
| C23 | C16 | C17 | H172 | 160.1° | 68.9° |
| C16 | C23 | H231 | H232 | 120.0° | 120.0° |
| C16 | C23 | H231 | H233 | 120.0° | 120.0° |
| C16 | C23 | H232 | H233 | 120.0° | 120.0° |
| C23 | C16 | C24 | H241 | 75.9° | 60.5° |
| C23 | C16 | C24 | H242 | 164.1° | 59.4° |
| C23 | C16 | C24 | H243 | 44.1° | 179.4° |
| C24 | C16 | C17 | C18 | 160.4° | 69.1° |
| C24 | C16 | C17 | H171 | 81.7° | 171.1° |
| C24 | C16 | C17 | H172 | 40.4° | 50.6° |
| C24 | C16 | C23 | H231 | 37.9° | 60.5° |
| C24 | C16 | C23 | H232 | 157.9° | 179.5° |
| C24 | C16 | C23 | H233 | 82.1° | 59.5° |
| C16 | C24 | H241 | H242 | 120.0° | 120.0° |
| C16 | C24 | H241 | H243 | 120.0° | 120.1° |
| C16 | C24 | H242 | H243 | 120.0° | 120.0° |
| C18 | C17 | H171 | H172 | 118.7° | 120.6° |
| C17 | C18 | C19 | H181 | 118.4° | 119.8° |
| C17 | C18 | C19 | H182 | 120.0° | 119.7° |
| C17 | C18 | H181 | H182 | 119.0° | 120.6° |
| C17 | C18 | C19 | C20 | 44.8° | 51.1° |
| C17 | C18 | C19 | C25 | 161.2° | 171.5° |
| C17 | C18 | C19 | C26 | 80.8° | 69.1° |
| H171 | C17 | C18 | C19 | 178.8° | 49.8° |
| H171 | C17 | C18 | H181 | 60.4° | 70.0° |
| H171 | C17 | C18 | H182 | 61.2° | 169.4° |
| H172 | C17 | C18 | C19 | 59.1° | 170.4° |
| H172 | C17 | C18 | H181 | 177.5° | 50.6° |
| H172 | C17 | C18 | H182 | 60.9° | 70.0° |
| C19 | C18 | H181 | H182 | 119.0° | 120.4° |
| C18 | C19 | C20 | C25 | 112.2° | 120.4° |
| C18 | C19 | C20 | C26 | 128.1° | 120.2° |
| C18 | C19 | C25 | C26 | 122.3° | 119.4° |
| C18 | C19 | C20 | C21 | 164.4° | 162.7° |
| C18 | C19 | C25 | H251 | 63.3° | 179.4° |
| C18 | C19 | C25 | H252 | 56.7° | 60.6° |
| C18 | C19 | C25 | H253 | 176.7° | 59.4° |
| C18 | C19 | C26 | H261 | 92.3° | 179.5° |
| C18 | C19 | C26 | H262 | 147.7° | 59.5° |
| C18 | C19 | C26 | H263 | 27.7° | 60.5° |
| H181 | C18 | C19 | C20 | 73.6° | 170.9° |
| H181 | C18 | C19 | C25 | 42.8° | 68.7° |
| H181 | C18 | C19 | C26 | 160.7° | 50.7° |
| H182 | C18 | C19 | C20 | 164.8° | 68.6° |
| H182 | C18 | C19 | C25 | 78.8° | 51.8° |
| H182 | C18 | C19 | C26 | 39.1° | 171.2° |
| C20 | C19 | C25 | C26 | 120.9° | 119.5° |
| C20 | C19 | C25 | H251 | 53.5° | 59.4° |
| C20 | C19 | C25 | H252 | 173.5° | 60.5° |
| C20 | C19 | C25 | H253 | 66.5° | 179.5° |
| C20 | C19 | C26 | H261 | 33.0° | 59.5° |
| C20 | C19 | C26 | H262 | 87.0° | 179.5° |
| C20 | C19 | C26 | H263 | 153.0° | 60.5° |
| C19 | C20 | C21 | C22 | 179.7° | 179.7° |
| C19 | C20 | C21 | H21 | 0.3° | 0.4° |
| C25 | C19 | C20 | C21 | 52.2° | 42.3° |
| C19 | C25 | H251 | H252 | 120.0° | 120.0° |
| C19 | C25 | H251 | H253 | 120.0° | 120.1° |
| C19 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C19 | C26 | H261 | 153.1° | 60.0° |
| C25 | C19 | C26 | H262 | 33.1° | 60.0° |
| C25 | C19 | C26 | H263 | 86.9° | 180.0° |
| C26 | C19 | C20 | C21 | 67.5° | 77.1° |
| C26 | C19 | C25 | H251 | 174.4° | 60.0° |
| C26 | C19 | C25 | H252 | 65.6° | 180.0° |
| C26 | C19 | C25 | H253 | 54.4° | 60.0° |
| C19 | C26 | H261 | H262 | 120.0° | 120.0° |
| C19 | C26 | H261 | H263 | 120.0° | 120.0° |
| C19 | C26 | H262 | H263 | 120.0° | 120.0° |
| C20 | C21 | C22 | C13 | 0.5° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 179.5° | 179.9° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H241 | C24 | H242 | H243 | 119.9° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| C6 | C7 | C8 | C12 | 178.8° | 179.8° |
| C6 | C7 | C8 | C9 | 0.8° | 0.2° |
| C6 | C7 | C8 | H8 | 179.2° | 179.8° |
| C6 | C7 | C12 | C13 | 149.7° | 39.1° |
| C6 | C7 | C12 | N1 | 30.3° | 141.0° |
| H6 | C6 | C7 | C8 | 179.2° | 179.8° |
| H6 | C6 | C7 | C12 | 0.5° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C8 | C7 | C12 | C13 | 31.6° | 141.1° |
| C8 | C7 | C12 | N1 | 148.4° | 38.8° |
| C12 | C7 | C8 | C9 | 179.6° | 180.0° |
| C12 | C7 | C8 | H8 | 0.4° | 0.0° |
| C7 | C12 | C13 | C14 | 142.8° | 162.7° |
| C7 | C12 | C13 | C22 | 37.5° | 17.4° |
| C7 | C12 | C13 | N1 | 180.0° | 180.0° |
| C7 | C12 | N1 | O3 | 0.3° | 6.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| C14 | C13 | C22 | C12 | 179.7° | 179.9° |
| C14 | C13 | C22 | C21 | 0.6° | 0.1° |
| C14 | C13 | C22 | H22 | 179.4° | 179.9° |
| C14 | C13 | C12 | N1 | 37.2° | 17.4° |
| C22 | C13 | C14 | H14 | 179.6° | 180.0° |
| C13 | C22 | C21 | H22 | 180.0° | 180.0° |
| C13 | C22 | C21 | H21 | 179.5° | 180.0° |
| C22 | C13 | C12 | N1 | 142.5° | 162.6° |
| C12 | C13 | C14 | H14 | 0.1° | 0.0° |
| C12 | C13 | C22 | C21 | 179.7° | 179.9° |
| C12 | C13 | C22 | H22 | 0.3° | 0.1° |
| C13 | C12 | N1 | O3 | 179.8° | 174.0° |
| H21 | C21 | C22 | H22 | 0.5° | 0.0° |
| C12 | N1 | O3 | HO3 | 83.3° | 180.0° |
