C27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.49Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.30Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.30Å | 1.54Å | |
| C16 | C18 | sing | 1.54Å | 1.53Å | |
| C16 | N24 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.52Å | 1.50Å | |
| C19 | O20 | doub | 1.21Å | 1.21Å | |
| C19 | N21 | sing | 1.35Å | 1.37Å | |
| N21 | C22 | sing | 1.46Å | 1.47Å | |
| N21 | C23 | sing | 1.37Å | 1.41Å | |
| C23 | N24 | doub | 1.29Å | 1.32Å | |
| C23 | N25 | sing | 1.37Å | 1.33Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N25 | H252 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 118.0° | 117.0° |
| O2 | C1 | H1C1 | 109.5° | 109.5° |
| O2 | C1 | H1C2 | 109.5° | 109.5° |
| O2 | C1 | H1C3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 133.3° | 120.0° |
| O2 | C3 | C8 | 107.4° | 120.0° |
| C4 | C3 | C8 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.2° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C3 | C8 | C7 | 121.1° | 119.8° |
| C3 | C8 | H8 | 119.4° | 120.1° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C5 | C4 | H4 | 119.8° | 119.9° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C6 | C7 | C8 | 118.5° | 119.8° |
| C6 | C7 | C9 | 120.9° | 120.1° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C8 | C7 | C9 | 120.7° | 120.1° |
| C7 | C8 | H8 | 119.5° | 120.1° |
| C7 | C9 | C10 | 120.8° | 120.1° |
| C7 | C9 | C26 | 120.6° | 120.1° |
| C10 | C9 | C26 | 118.6° | 119.8° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.7° | 120.1° |
| C9 | C26 | C13 | 121.3° | 119.9° |
| C9 | C26 | H26 | 119.3° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.1° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | H11 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C11 | C12 | H12 | 119.8° | 119.9° |
| C12 | C13 | C14 | 120.7° | 119.9° |
| C12 | C13 | C26 | 118.9° | 120.1° |
| C13 | C12 | H12 | 119.7° | 119.9° |
| C14 | C13 | C26 | 120.4° | 120.0° |
| C13 | C14 | C15 | 112.7° | 109.5° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| C13 | C14 | H142 | 107.7° | 109.4° |
| C13 | C26 | H26 | 119.3° | 120.1° |
| C14 | C15 | C16 | 115.8° | 109.5° |
| C15 | C14 | H141 | 108.4° | 109.5° |
| C15 | C14 | H142 | 107.7° | 109.5° |
| C14 | C15 | H151 | 107.4° | 109.5° |
| C14 | C15 | H152 | 106.0° | 109.5° |
| C15 | C16 | C17 | 110.6° | 107.9° |
| C15 | C16 | C18 | 108.4° | 108.1° |
| C15 | C16 | N24 | 110.2° | 108.0° |
| C16 | C15 | H151 | 107.4° | 109.4° |
| C16 | C15 | H152 | 105.9° | 109.5° |
| C17 | C16 | C18 | 110.5° | 108.1° |
| C17 | C16 | N24 | 108.1° | 108.0° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.4° |
| C18 | C16 | N24 | 109.0° | 116.5° |
| C16 | C18 | C19 | 112.2° | 115.8° |
| C16 | C18 | H181 | 108.5° | 108.2° |
| C16 | C18 | H182 | 107.9° | 108.2° |
| C16 | N24 | C23 | 119.1° | 120.6° |
| C18 | C19 | O20 | 121.9° | 120.8° |
| C18 | C19 | N21 | 116.1° | 118.4° |
| C19 | C18 | H181 | 108.6° | 108.2° |
| C19 | C18 | H182 | 107.9° | 108.2° |
| O20 | C19 | N21 | 122.0° | 120.8° |
| C19 | N21 | C22 | 118.3° | 118.3° |
| C19 | N21 | C23 | 120.5° | 123.5° |
| C22 | N21 | C23 | 121.1° | 118.2° |
| N21 | C22 | H221 | 109.5° | 109.4° |
| N21 | C22 | H222 | 109.5° | 109.5° |
| N21 | C22 | H223 | 109.5° | 109.5° |
| N21 | C23 | N24 | 122.2° | 125.3° |
| N21 | C23 | N25 | 118.5° | 117.3° |
| N24 | C23 | N25 | 119.3° | 117.4° |
| C23 | N25 | H251 | 110.2° | 120.0° |
| C23 | N25 | H252 | 124.9° | 120.0° |
| H1C1 | C1 | H1C2 | 109.4° | 109.5° |
| H1C1 | C1 | H1C3 | 109.4° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H141 | C14 | H142 | 112.1° | 109.4° |
| H151 | C15 | H152 | 114.6° | 109.4° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H181 | C18 | H182 | 111.7° | 108.0° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H251 | N25 | H252 | 124.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 0.5° | 0.0° |
| C1 | O2 | C3 | C8 | 180.0° | 179.7° |
| O2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| O2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| O2 | C1 | H1C2 | H1C3 | 120.0° | 119.9° |
| O2 | C3 | C4 | C8 | 179.5° | 179.8° |
| O2 | C3 | C4 | C5 | 179.7° | 180.0° |
| O2 | C3 | C8 | C7 | 179.4° | 179.8° |
| C3 | O2 | C1 | H1C1 | 136.7° | 180.0° |
| C3 | O2 | C1 | H1C2 | 16.7° | 60.0° |
| C3 | O2 | C1 | H1C3 | 103.4° | 60.0° |
| O2 | C3 | C4 | H4 | 0.3° | 0.0° |
| O2 | C3 | C8 | H8 | 0.6° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.5° |
| C4 | C3 | C8 | H8 | 179.8° | 179.7° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.2° |
| C3 | C8 | C7 | C6 | 0.5° | 0.5° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C3 | C8 | C7 | C9 | 179.6° | 179.7° |
| C8 | C3 | C4 | H4 | 179.7° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.2° |
| C5 | C6 | C7 | C9 | 179.4° | 180.0° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C6 | C7 | C8 | C9 | 179.1° | 179.8° |
| C6 | C7 | C9 | C10 | 31.6° | 180.0° |
| C6 | C7 | C9 | C26 | 147.3° | 0.2° |
| C6 | C7 | C8 | H8 | 179.5° | 179.8° |
| C7 | C6 | C5 | H5 | 179.9° | 179.9° |
| C8 | C7 | C9 | C10 | 147.4° | 0.2° |
| C8 | C7 | C9 | C26 | 33.6° | 179.9° |
| C8 | C7 | C6 | H6 | 179.7° | 179.8° |
| C7 | C9 | C10 | C26 | 179.0° | 179.8° |
| C7 | C9 | C10 | C11 | 178.6° | 180.0° |
| C7 | C9 | C26 | C13 | 179.5° | 179.7° |
| C9 | C7 | C8 | H8 | 0.4° | 0.1° |
| C9 | C7 | C6 | H6 | 0.6° | 0.0° |
| C7 | C9 | C10 | H10 | 1.4° | 0.0° |
| C7 | C9 | C26 | H26 | 0.4° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.4° | 0.0° |
| C10 | C9 | C26 | C13 | 0.6° | 0.6° |
| C10 | C9 | C26 | H26 | 179.4° | 179.8° |
| C9 | C10 | C11 | H11 | 178.6° | 180.0° |
| C26 | C9 | C10 | C11 | 0.3° | 0.3° |
| C9 | C26 | C13 | C12 | 0.4° | 0.6° |
| C9 | C26 | C13 | C14 | 178.6° | 179.8° |
| C9 | C26 | C13 | H26 | 180.0° | 179.7° |
| C26 | C9 | C10 | H10 | 179.7° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.6° | 0.0° |
| C10 | C11 | C12 | H12 | 178.4° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.7° | 179.9° |
| C11 | C12 | C13 | C26 | 0.7° | 0.3° |
| C12 | C11 | C10 | H10 | 178.6° | 179.9° |
| C12 | C13 | C14 | C26 | 179.0° | 179.6° |
| C12 | C13 | C14 | C15 | 89.5° | 90.0° |
| C12 | C13 | C26 | H26 | 179.6° | 179.7° |
| C13 | C12 | C11 | H11 | 178.4° | 180.0° |
| C12 | C13 | C14 | H141 | 30.5° | 150.0° |
| C12 | C13 | C14 | H142 | 152.0° | 30.1° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 118.6° | 120.0° |
| C13 | C14 | C15 | C16 | 168.5° | 175.4° |
| C14 | C13 | C26 | H26 | 1.4° | 0.1° |
| C14 | C13 | C12 | H12 | 0.3° | 0.1° |
| C13 | C14 | H141 | H142 | 118.7° | 119.9° |
| C13 | C14 | C15 | H151 | 48.5° | 64.7° |
| C13 | C14 | C15 | H152 | 74.4° | 55.3° |
| C26 | C13 | C14 | C15 | 91.5° | 89.6° |
| C26 | C13 | C12 | H12 | 179.3° | 179.7° |
| C26 | C13 | C14 | H141 | 148.5° | 30.4° |
| C26 | C13 | C14 | H142 | 27.0° | 150.3° |
| C14 | C15 | C16 | H151 | 120.0° | 120.0° |
| C14 | C15 | C16 | H152 | 117.1° | 120.1° |
| C14 | C15 | C16 | C17 | 56.5° | 173.5° |
| C14 | C15 | C16 | C18 | 177.8° | 69.9° |
| C14 | C15 | C16 | N24 | 63.0° | 57.0° |
| C15 | C14 | H141 | H142 | 118.7° | 120.0° |
| C14 | C15 | H151 | H152 | 117.4° | 120.0° |
| C15 | C16 | C17 | C18 | 120.1° | 116.6° |
| C15 | C16 | C17 | N24 | 120.8° | 116.5° |
| C15 | C16 | C18 | N24 | 120.0° | 121.7° |
| C15 | C16 | C18 | C19 | 69.3° | 121.7° |
| C15 | C16 | N24 | C23 | 84.2° | 121.8° |
| C16 | C15 | C14 | H141 | 71.5° | 55.3° |
| C16 | C15 | C14 | H142 | 49.9° | 64.6° |
| C16 | C15 | H151 | H152 | 117.4° | 120.0° |
| C15 | C16 | C17 | H171 | 90.8° | 64.6° |
| C15 | C16 | C17 | H172 | 29.2° | 175.4° |
| C15 | C16 | C17 | H173 | 149.2° | 55.4° |
| C15 | C16 | C18 | H181 | 50.7° | 0.1° |
| C15 | C16 | C18 | H182 | 171.9° | 116.6° |
| C17 | C16 | C18 | N24 | 118.7° | 121.7° |
| C17 | C16 | C18 | C19 | 169.4° | 121.7° |
| C17 | C16 | N24 | C23 | 154.8° | 121.7° |
| C17 | C16 | C15 | H151 | 176.5° | 66.5° |
| C17 | C16 | C15 | H152 | 60.6° | 53.4° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C17 | C16 | C18 | H181 | 70.6° | 116.6° |
| C17 | C16 | C18 | H182 | 50.6° | 0.1° |
| C16 | C18 | C19 | H181 | 120.0° | 121.6° |
| C16 | C18 | C19 | H182 | 118.8° | 121.6° |
| C16 | C18 | C19 | O20 | 147.6° | 180.0° |
| C16 | C18 | C19 | N21 | 33.6° | 0.0° |
| C18 | C16 | N24 | C23 | 34.6° | 0.0° |
| C18 | C16 | C15 | H151 | 62.2° | 50.1° |
| C18 | C16 | C15 | H152 | 60.7° | 170.1° |
| C18 | C16 | C17 | H171 | 29.3° | 178.7° |
| C18 | C16 | C17 | H172 | 149.2° | 58.7° |
| C18 | C16 | C17 | H173 | 90.8° | 61.3° |
| C16 | C18 | H181 | H182 | 118.8° | 116.9° |
| N24 | C16 | C18 | C19 | 50.7° | 0.0° |
| C16 | N24 | C23 | N21 | 1.0° | 0.0° |
| C16 | N24 | C23 | N25 | 177.6° | 180.0° |
| N24 | C16 | C15 | H151 | 57.0° | 176.9° |
| N24 | C16 | C15 | H152 | 179.9° | 63.1° |
| N24 | C16 | C17 | H171 | 148.4° | 51.9° |
| N24 | C16 | C17 | H172 | 91.6° | 68.1° |
| N24 | C16 | C17 | H173 | 28.4° | 171.9° |
| N24 | C16 | C18 | H181 | 170.7° | 121.6° |
| N24 | C16 | C18 | H182 | 68.1° | 121.7° |
| C18 | C19 | O20 | N21 | 178.7° | 180.0° |
| C18 | C19 | N21 | C22 | 174.8° | 180.0° |
| C18 | C19 | N21 | C23 | 2.7° | 0.0° |
| C19 | C18 | H181 | H182 | 118.9° | 116.9° |
| O20 | C19 | N21 | C22 | 6.5° | 0.0° |
| O20 | C19 | N21 | C23 | 176.1° | 180.0° |
| O20 | C19 | C18 | H181 | 27.6° | 58.4° |
| O20 | C19 | C18 | H182 | 93.6° | 58.4° |
| C19 | N21 | C22 | C23 | 177.5° | 180.0° |
| C19 | N21 | C23 | N24 | 22.3° | 0.0° |
| C19 | N21 | C23 | N25 | 161.1° | 180.0° |
| N21 | C19 | C18 | H181 | 153.6° | 121.6° |
| N21 | C19 | C18 | H182 | 85.2° | 121.6° |
| C19 | N21 | C22 | H221 | 169.9° | 5.0° |
| C19 | N21 | C22 | H222 | 49.9° | 115.0° |
| C19 | N21 | C22 | H223 | 70.1° | 124.9° |
| C22 | N21 | C23 | N24 | 155.1° | 180.0° |
| C22 | N21 | C23 | N25 | 21.5° | 0.0° |
| N21 | C22 | H221 | H222 | 120.0° | 120.0° |
| N21 | C22 | H221 | H223 | 120.0° | 120.0° |
| N21 | C22 | H222 | H223 | 120.0° | 120.0° |
| N21 | C23 | N24 | N25 | 176.6° | 180.0° |
| C23 | N21 | C22 | H221 | 7.5° | 175.1° |
| C23 | N21 | C22 | H222 | 127.5° | 64.9° |
| C23 | N21 | C22 | H223 | 112.5° | 55.1° |
| N21 | C23 | N25 | H251 | 1.6° | 5.3° |
| N21 | C23 | N25 | H252 | 178.4° | 174.8° |
| N24 | C23 | N25 | H251 | 178.4° | 174.8° |
| N24 | C23 | N25 | H252 | 1.7° | 5.2° |
| C23 | N25 | H251 | H252 | 180.0° | 180.0° |
| H1C1 | C1 | H1C2 | H1C3 | 119.9° | 120.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H10 | C10 | C11 | H11 | 1.4° | 0.0° |
| H11 | C11 | C12 | H12 | 1.6° | 0.0° |
| H141 | C14 | C15 | H151 | 168.5° | 175.3° |
| H141 | C14 | C15 | H152 | 45.6° | 64.8° |
| H142 | C14 | C15 | H151 | 70.1° | 55.3° |
| H142 | C14 | C15 | H152 | 167.0° | 175.3° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H221 | C22 | H222 | H223 | 119.9° | 120.0° |
