NE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C14 | C5 | sing | 1.51Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | N10 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.42Å | 1.40Å | Aromatic |
| N10 | C9 | doub | 1.31Å | 1.28Å | Aromatic |
| C9 | N23 | sing | 1.37Å | 1.31Å | |
| C9 | N8 | sing | 1.37Å | 1.33Å | Aromatic |
| N23 | H231 | sing | 0.97Å | 1.02Å | |
| N23 | H232 | sing | 0.97Å | 1.02Å | |
| N8 | C7 | sing | 1.35Å | 1.32Å | Aromatic |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C7 | O22 | doub | 1.22Å | 1.23Å | |
| C7 | C3 | sing | 1.47Å | 1.51Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | N11 | sing | 1.39Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| N11 | C12 | sing | 1.36Å | 1.30Å | Aromatic |
| N11 | H11 | sing | 0.97Å | 1.02Å | |
| C12 | N13 | doub | 1.30Å | 1.27Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N13 | C6 | sing | 1.36Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 112.6° | 109.5° |
| C14 | C15 | H151 | 111.1° | 109.5° |
| C14 | C15 | H152 | 111.1° | 109.5° |
| C15 | C14 | C5 | 110.0° | 109.4° |
| C15 | C14 | H141 | 112.0° | 109.4° |
| C15 | C14 | H142 | 112.0° | 109.5° |
| C16 | C15 | H151 | 111.1° | 109.5° |
| C16 | C15 | H152 | 111.1° | 109.4° |
| C15 | C16 | C17 | 120.9° | 120.1° |
| C15 | C16 | C21 | 118.9° | 120.0° |
| H151 | C15 | H152 | 99.3° | 109.5° |
| C5 | C14 | H141 | 112.0° | 109.5° |
| C5 | C14 | H142 | 112.0° | 109.5° |
| C14 | C5 | C4 | 123.3° | 120.2° |
| C14 | C5 | C6 | 120.9° | 120.2° |
| H141 | C14 | H142 | 98.4° | 109.5° |
| C4 | C5 | C6 | 115.8° | 119.6° |
| C5 | C4 | N10 | 121.7° | 121.2° |
| C5 | C4 | C3 | 121.0° | 119.8° |
| C5 | C6 | C1 | 123.0° | 120.2° |
| C5 | C6 | N13 | 133.1° | 133.0° |
| N10 | C4 | C3 | 117.3° | 119.0° |
| C4 | N10 | C9 | 123.1° | 121.6° |
| C4 | C3 | C7 | 116.6° | 118.1° |
| C4 | C3 | C2 | 121.9° | 120.4° |
| N10 | C9 | N23 | 118.7° | 118.4° |
| N10 | C9 | N8 | 124.6° | 123.1° |
| N23 | C9 | N8 | 116.8° | 118.5° |
| C9 | N23 | H231 | 108.9° | 120.0° |
| C9 | N23 | H232 | 118.7° | 120.0° |
| C9 | N8 | C7 | 119.4° | 120.6° |
| C9 | N8 | HN8 | 120.8° | 119.7° |
| H231 | N23 | H232 | 108.9° | 120.0° |
| C7 | N8 | HN8 | 119.8° | 119.7° |
| N8 | C7 | O22 | 122.2° | 121.2° |
| N8 | C7 | C3 | 119.0° | 117.6° |
| O22 | C7 | C3 | 118.8° | 121.2° |
| C7 | C3 | C2 | 121.5° | 121.5° |
| C3 | C2 | C1 | 117.3° | 119.5° |
| C3 | C2 | H2 | 121.8° | 120.3° |
| C1 | C2 | H2 | 120.9° | 120.3° |
| C2 | C1 | N11 | 130.8° | 133.6° |
| C2 | C1 | C6 | 121.1° | 120.5° |
| N11 | C1 | C6 | 108.1° | 105.9° |
| C1 | N11 | C12 | 105.7° | 107.2° |
| C1 | N11 | H11 | 129.1° | 126.4° |
| C1 | C6 | N13 | 103.9° | 106.8° |
| C12 | N11 | H11 | 125.2° | 126.4° |
| N11 | C12 | N13 | 112.3° | 110.3° |
| N11 | C12 | H12 | 124.8° | 124.9° |
| N13 | C12 | H12 | 122.9° | 124.9° |
| C12 | N13 | C6 | 110.1° | 109.8° |
| C17 | C16 | C21 | 120.2° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C16 | C17 | H17 | 119.4° | 120.0° |
| C16 | C21 | C20 | 119.8° | 120.0° |
| C16 | C21 | H21 | 120.6° | 120.0° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C17 | C18 | H18 | 120.6° | 120.0° |
| C19 | C18 | H18 | 120.4° | 119.9° |
| C18 | C19 | C20 | 120.9° | 120.0° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C19 | C20 | C21 | 119.6° | 120.0° |
| C19 | C20 | H20 | 120.5° | 120.0° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 116.9° | 120.0° |
| C15 | C14 | C5 | H141 | 125.3° | 119.9° |
| C15 | C14 | C5 | H142 | 125.3° | 120.0° |
| C15 | C14 | H141 | H142 | 117.9° | 120.0° |
| C15 | C14 | C5 | C4 | 94.8° | 90.0° |
| C15 | C14 | C5 | C6 | 84.6° | 90.0° |
| C14 | C15 | C16 | C17 | 35.2° | 90.3° |
| C14 | C15 | C16 | C21 | 144.7° | 90.0° |
| C16 | C15 | H151 | H152 | 116.9° | 119.9° |
| C16 | C15 | C14 | C5 | 168.4° | 180.0° |
| C16 | C15 | C14 | H141 | 43.1° | 60.0° |
| C16 | C15 | C14 | H142 | 66.4° | 60.0° |
| C15 | C16 | C17 | C21 | 179.9° | 179.7° |
| C15 | C16 | C17 | C18 | 179.9° | 179.8° |
| C15 | C16 | C17 | H17 | 0.1° | 0.2° |
| C15 | C16 | C21 | C20 | 179.9° | 180.0° |
| C15 | C16 | C21 | H21 | 0.1° | 0.0° |
| H151 | C15 | C14 | C5 | 43.1° | 60.0° |
| H151 | C15 | C14 | H141 | 82.2° | 180.0° |
| H151 | C15 | C14 | H142 | 168.4° | 60.0° |
| H151 | C15 | C16 | C17 | 160.4° | 149.7° |
| H151 | C15 | C16 | C21 | 19.5° | 30.0° |
| H152 | C15 | C14 | C5 | 66.4° | 60.0° |
| H152 | C15 | C14 | H141 | 168.4° | 59.9° |
| H152 | C15 | C14 | H142 | 58.9° | 180.0° |
| H152 | C15 | C16 | C17 | 90.1° | 29.7° |
| H152 | C15 | C16 | C21 | 90.0° | 150.0° |
| C5 | C14 | H141 | H142 | 117.9° | 120.0° |
| C14 | C5 | C4 | C6 | 179.5° | 180.0° |
| C14 | C5 | C4 | N10 | 0.4° | 0.0° |
| C14 | C5 | C4 | C3 | 178.8° | 179.9° |
| C14 | C5 | C6 | C1 | 179.3° | 179.9° |
| C14 | C5 | C6 | N13 | 1.2° | 0.0° |
| H141 | C14 | C5 | C4 | 30.4° | 150.0° |
| H141 | C14 | C5 | C6 | 150.2° | 29.9° |
| H142 | C14 | C5 | C4 | 139.9° | 30.0° |
| H142 | C14 | C5 | C6 | 40.7° | 150.0° |
| C5 | C4 | N10 | C3 | 179.2° | 179.9° |
| C5 | C4 | N10 | C9 | 180.0° | 180.0° |
| C5 | C4 | C3 | C7 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.1° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | N13 | 179.4° | 180.0° |
| C6 | C5 | C4 | N10 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C5 | C6 | C1 | C2 | 0.2° | 0.1° |
| C5 | C6 | C1 | N11 | 179.3° | 180.0° |
| C5 | C6 | C1 | N13 | 179.7° | 179.9° |
| C5 | C6 | N13 | C12 | 179.2° | 180.0° |
| C4 | N10 | C9 | N23 | 179.9° | 180.0° |
| C4 | N10 | C9 | N8 | 0.9° | 0.2° |
| N10 | C4 | C3 | C7 | 1.3° | 0.1° |
| N10 | C4 | C3 | C2 | 179.7° | 180.0° |
| C3 | C4 | N10 | C9 | 0.7° | 0.1° |
| C4 | C3 | C7 | N8 | 0.4° | 0.2° |
| C4 | C3 | C7 | O22 | 179.7° | 179.9° |
| C4 | C3 | C7 | C2 | 178.4° | 179.9° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| C4 | C3 | C2 | H2 | 179.0° | 179.9° |
| N10 | C9 | N23 | N8 | 179.0° | 179.8° |
| N10 | C9 | N23 | H231 | 54.7° | 0.0° |
| N10 | C9 | N23 | H232 | 180.0° | 179.7° |
| N10 | C9 | N8 | C7 | 1.9° | 0.5° |
| N10 | C9 | N8 | HN8 | 178.1° | 180.0° |
| C9 | N23 | H231 | H232 | 130.8° | 179.7° |
| N23 | C9 | N8 | C7 | 179.1° | 179.7° |
| N23 | C9 | N8 | HN8 | 0.9° | 0.2° |
| N8 | C9 | N23 | H231 | 126.2° | 179.8° |
| N8 | C9 | N23 | H232 | 0.9° | 0.5° |
| C9 | N8 | C7 | HN8 | 180.0° | 179.5° |
| C9 | N8 | C7 | O22 | 178.1° | 179.8° |
| C9 | N8 | C7 | C3 | 1.1° | 0.5° |
| N8 | C7 | O22 | C3 | 179.3° | 179.7° |
| N8 | C7 | C3 | C2 | 178.8° | 179.7° |
| HN8 | N8 | C7 | O22 | 1.8° | 0.3° |
| HN8 | N8 | C7 | C3 | 178.9° | 180.0° |
| O22 | C7 | C3 | C2 | 1.9° | 0.1° |
| C7 | C3 | C2 | C1 | 179.3° | 180.0° |
| C7 | C3 | C2 | H2 | 0.7° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | N11 | 179.4° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.1° |
| C2 | C1 | N11 | C6 | 179.0° | 179.9° |
| C2 | C1 | N11 | C12 | 179.2° | 179.9° |
| C2 | C1 | N11 | H11 | 0.8° | 0.0° |
| C2 | C1 | C6 | N13 | 179.5° | 180.0° |
| H2 | C2 | C1 | N11 | 0.6° | 0.1° |
| H2 | C2 | C1 | C6 | 179.5° | 180.0° |
| C1 | N11 | C12 | H11 | 180.0° | 179.9° |
| C1 | N11 | C12 | N13 | 0.0° | 0.1° |
| C1 | N11 | C12 | H12 | 180.0° | 179.9° |
| N11 | C1 | C6 | N13 | 0.4° | 0.0° |
| C6 | C1 | N11 | C12 | 0.2° | 0.0° |
| C6 | C1 | N11 | H11 | 179.8° | 179.9° |
| C1 | C6 | N13 | C12 | 0.4° | 0.1° |
| N11 | C12 | N13 | H12 | 180.0° | 179.9° |
| N11 | C12 | N13 | C6 | 0.3° | 0.1° |
| H11 | N11 | C12 | N13 | 179.9° | 180.0° |
| H11 | N11 | C12 | H12 | 0.0° | 0.2° |
| H12 | C12 | N13 | C6 | 179.7° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.6° |
| C16 | C17 | C18 | C19 | 0.1° | 0.4° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C17 | C16 | C21 | C20 | 0.2° | 0.3° |
| C17 | C16 | C21 | H21 | 179.7° | 179.7° |
| C21 | C16 | C17 | C18 | 0.0° | 0.4° |
| C21 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 0.3° | 0.1° |
| C16 | C21 | C20 | H21 | 180.0° | 180.0° |
| C16 | C21 | C20 | H20 | 179.6° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C18 | C19 | C20 | H20 | 179.7° | 179.9° |
| H18 | C18 | C19 | C20 | 179.9° | 179.9° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | H21 | 179.6° | 179.9° |
| H19 | C19 | C20 | C21 | 179.7° | 180.0° |
| H19 | C19 | C20 | H20 | 0.3° | 0.2° |
| H20 | C20 | C21 | H21 | 0.4° | 0.1° |
