EL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.46Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.42Å | 1.41Å | Aromatic |
| C12 | C16 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | N18 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N18 | C19 | doub | 1.31Å | 1.35Å | Aromatic |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.2° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C1 | C2 | C3 | 120.1° | 120.5° |
| C1 | C2 | H2 | 119.9° | 119.7° |
| C6 | C1 | H1 | 119.7° | 119.9° |
| C1 | C6 | C5 | 117.6° | 119.8° |
| C1 | C6 | H6 | 121.2° | 120.1° |
| C3 | C2 | H2 | 120.0° | 119.8° |
| C2 | C3 | C4 | 119.1° | 120.1° |
| C2 | C3 | H3 | 120.4° | 119.9° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.9° | 119.3° |
| C3 | C4 | N7 | 133.2° | 132.1° |
| C5 | C4 | N7 | 106.9° | 108.6° |
| C4 | C5 | C6 | 122.7° | 120.1° |
| C4 | C5 | C9 | 107.2° | 106.6° |
| C4 | N7 | C8 | 112.2° | 110.4° |
| C4 | N7 | HN7 | 123.9° | 124.8° |
| C6 | C5 | C9 | 130.1° | 133.4° |
| C5 | C6 | H6 | 121.2° | 120.1° |
| C5 | C9 | C8 | 106.6° | 106.3° |
| C5 | C9 | C14 | 130.4° | 132.8° |
| C8 | N7 | HN7 | 123.9° | 124.8° |
| N7 | C8 | C9 | 107.1° | 108.2° |
| N7 | C8 | C10 | 133.1° | 131.6° |
| C9 | C8 | C10 | 119.7° | 120.2° |
| C8 | C9 | C14 | 123.0° | 120.9° |
| C8 | C10 | C11 | 118.4° | 120.2° |
| C8 | C10 | C12 | 118.7° | 119.8° |
| C9 | C14 | C13 | 117.8° | 119.5° |
| C9 | C14 | C15 | 120.3° | 120.3° |
| C11 | C10 | C12 | 122.8° | 120.1° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.4° | 109.5° |
| C10 | C12 | C13 | 120.9° | 120.1° |
| C10 | C12 | C16 | 119.7° | 121.8° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C13 | C12 | C16 | 119.4° | 118.1° |
| C12 | C13 | C14 | 119.9° | 119.6° |
| C12 | C13 | C19 | 119.2° | 118.6° |
| C12 | C16 | C17 | 118.7° | 118.7° |
| C12 | C16 | H16 | 120.6° | 120.7° |
| C14 | C13 | C19 | 120.9° | 121.8° |
| C13 | C14 | C15 | 121.9° | 120.2° |
| C13 | C19 | N18 | 120.2° | 119.9° |
| C13 | C19 | H19 | 119.9° | 120.0° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.4° |
| C14 | C15 | H153 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| C17 | C16 | H16 | 120.7° | 120.6° |
| C16 | C17 | N18 | 121.2° | 121.9° |
| C16 | C17 | H17 | 119.4° | 119.0° |
| N18 | C17 | H17 | 119.4° | 119.0° |
| C17 | N18 | C19 | 121.4° | 122.7° |
| C17 | N18 | H18 | 119.3° | 118.6° |
| C19 | N18 | H18 | 119.3° | 118.6° |
| N18 | C19 | H19 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C1 | C2 | C3 | H3 | 177.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C2 | C1 | C6 | H6 | 179.3° | 180.0° |
| C6 | C1 | C2 | C3 | 1.5° | 0.0° |
| C6 | C1 | C2 | H2 | 178.5° | 179.9° |
| C1 | C6 | C5 | C4 | 0.5° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C9 | 179.2° | 180.0° |
| H1 | C1 | C2 | C3 | 178.5° | 179.9° |
| H1 | C1 | C2 | H2 | 1.5° | 0.0° |
| H1 | C1 | C6 | C5 | 179.3° | 180.0° |
| H1 | C1 | C6 | H6 | 0.7° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.9° | 0.0° |
| C2 | C3 | C4 | N7 | 179.1° | 179.9° |
| H2 | C2 | C3 | C4 | 177.9° | 180.0° |
| H2 | C2 | C3 | H3 | 2.1° | 0.0° |
| C3 | C4 | C5 | N7 | 177.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C3 | C4 | C5 | C9 | 178.7° | 180.0° |
| C3 | C4 | N7 | C8 | 178.8° | 180.0° |
| C3 | C4 | N7 | HN7 | 1.2° | 0.1° |
| H3 | C3 | C4 | C5 | 178.2° | 180.0° |
| H3 | C3 | C4 | N7 | 1.0° | 0.1° |
| C4 | C5 | C6 | C9 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| C5 | C4 | N7 | C8 | 1.3° | 0.0° |
| C5 | C4 | N7 | HN7 | 178.7° | 179.9° |
| C4 | C5 | C9 | C8 | 0.1° | 0.0° |
| C4 | C5 | C9 | C14 | 179.7° | 179.9° |
| N7 | C4 | C5 | C6 | 178.9° | 179.9° |
| N7 | C4 | C5 | C9 | 0.8° | 0.0° |
| C4 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C4 | N7 | C8 | C9 | 1.3° | 0.0° |
| C4 | N7 | C8 | C10 | 178.5° | 180.0° |
| C6 | C5 | C9 | C8 | 179.7° | 179.9° |
| C6 | C5 | C9 | C14 | 0.6° | 0.0° |
| C9 | C5 | C6 | H6 | 0.8° | 0.1° |
| C5 | C9 | C8 | N7 | 0.7° | 0.0° |
| C5 | C9 | C8 | C14 | 179.8° | 179.9° |
| C5 | C9 | C8 | C10 | 179.1° | 180.0° |
| C5 | C9 | C14 | C13 | 179.3° | 180.0° |
| C5 | C9 | C14 | C15 | 0.4° | 0.1° |
| N7 | C8 | C9 | C10 | 179.8° | 180.0° |
| N7 | C8 | C9 | C14 | 179.5° | 179.9° |
| N7 | C8 | C10 | C11 | 0.2° | 0.1° |
| N7 | C8 | C10 | C12 | 179.5° | 179.7° |
| HN7 | N7 | C8 | C9 | 178.7° | 179.9° |
| HN7 | N7 | C8 | C10 | 1.5° | 0.1° |
| C9 | C8 | C10 | C11 | 179.6° | 180.0° |
| C9 | C8 | C10 | C12 | 0.7° | 0.3° |
| C8 | C9 | C14 | C13 | 0.4° | 0.1° |
| C8 | C9 | C14 | C15 | 179.3° | 180.0° |
| C10 | C8 | C9 | C14 | 0.7° | 0.1° |
| C8 | C10 | C11 | C12 | 179.7° | 179.7° |
| C8 | C10 | C11 | H111 | 113.9° | 90.0° |
| C8 | C10 | C11 | H112 | 126.1° | 150.0° |
| C8 | C10 | C11 | H113 | 6.1° | 30.0° |
| C8 | C10 | C12 | C13 | 0.5° | 0.7° |
| C8 | C10 | C12 | C16 | 178.2° | 179.6° |
| C9 | C14 | C13 | C12 | 0.2° | 0.3° |
| C9 | C14 | C13 | C15 | 178.9° | 179.9° |
| C9 | C14 | C13 | C19 | 179.7° | 180.0° |
| C9 | C14 | C15 | H151 | 64.5° | 89.9° |
| C9 | C14 | C15 | H152 | 175.5° | 150.0° |
| C9 | C14 | C15 | H153 | 55.5° | 30.1° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C12 | C13 | 179.8° | 179.7° |
| C11 | C10 | C12 | C16 | 1.5° | 0.7° |
| C12 | C10 | C11 | H111 | 65.8° | 90.3° |
| C12 | C10 | C11 | H112 | 54.2° | 29.7° |
| C12 | C10 | C11 | H113 | 174.2° | 149.7° |
| C10 | C12 | C13 | C16 | 178.7° | 179.0° |
| C10 | C12 | C13 | C14 | 0.3° | 0.7° |
| C10 | C12 | C13 | C19 | 179.7° | 179.6° |
| C10 | C12 | C16 | C17 | 179.6° | 179.6° |
| C10 | C12 | C16 | H16 | 0.4° | 0.8° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| C12 | C13 | C14 | C19 | 179.4° | 179.7° |
| C12 | C13 | C14 | C15 | 179.1° | 179.6° |
| C13 | C12 | C16 | C17 | 1.6° | 0.6° |
| C13 | C12 | C16 | H16 | 178.4° | 179.8° |
| C12 | C13 | C19 | N18 | 0.3° | 0.3° |
| C12 | C13 | C19 | H19 | 179.7° | 179.7° |
| C16 | C12 | C13 | C14 | 178.4° | 179.6° |
| C16 | C12 | C13 | C19 | 1.0° | 0.6° |
| C12 | C16 | C17 | H16 | 180.0° | 179.6° |
| C12 | C16 | C17 | N18 | 1.0° | 0.3° |
| C12 | C16 | C17 | H17 | 179.0° | 179.7° |
| C13 | C14 | C15 | H151 | 114.3° | 90.0° |
| C13 | C14 | C15 | H152 | 5.6° | 30.1° |
| C13 | C14 | C15 | H153 | 125.6° | 150.0° |
| C14 | C13 | C19 | N18 | 179.8° | 179.9° |
| C14 | C13 | C19 | H19 | 0.2° | 0.0° |
| C19 | C13 | C14 | C15 | 1.5° | 0.1° |
| C13 | C19 | N18 | C17 | 1.0° | 0.0° |
| C13 | C19 | N18 | H19 | 180.0° | 179.9° |
| C13 | C19 | N18 | H18 | 178.9° | 180.0° |
| C14 | C15 | H151 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 119.9° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C16 | C17 | N18 | H17 | 180.0° | 180.0° |
| C16 | C17 | N18 | C19 | 0.4° | 0.0° |
| C16 | C17 | N18 | H18 | 179.6° | 180.0° |
| H16 | C16 | C17 | N18 | 179.0° | 179.9° |
| H16 | C16 | C17 | H17 | 1.0° | 0.1° |
| C17 | N18 | C19 | H18 | 180.0° | 180.0° |
| C17 | N18 | C19 | H19 | 179.0° | 179.9° |
| H17 | C17 | N18 | C19 | 179.6° | 180.0° |
| H17 | C17 | N18 | H18 | 0.4° | 0.0° |
| H18 | N18 | C19 | H19 | 1.0° | 0.0° |
