41L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N4 | C3 | sing | 1.35Å | 1.42Å | |
| C3 | O6 | doub | 1.21Å | 1.23Å | |
| N4 | N5 | sing | 1.40Å | 1.25Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N5 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| N5 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| N14 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | N14 | doub | 1.30Å | 1.35Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.37Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C11 | 117.7° | 120.0° |
| C7 | C1 | C2 | 121.1° | 120.0° |
| C1 | C7 | C8 | 120.0° | 120.0° |
| C1 | C7 | H7 | 120.0° | 120.0° |
| C11 | C1 | C2 | 121.2° | 120.0° |
| C1 | C11 | C10 | 121.9° | 120.0° |
| C1 | C11 | H11 | 119.0° | 120.0° |
| C1 | C2 | C3 | 120.2° | 109.5° |
| C1 | C2 | H2 | 106.0° | 109.5° |
| C1 | C2 | H2A | 106.1° | 109.4° |
| C3 | C2 | H2 | 106.1° | 109.5° |
| C3 | C2 | H2A | 106.0° | 109.5° |
| C2 | C3 | N4 | 112.6° | 120.0° |
| C2 | C3 | O6 | 127.3° | 120.0° |
| H2 | C2 | H2A | 112.7° | 109.5° |
| N4 | C3 | O6 | 120.1° | 120.0° |
| C3 | N4 | N5 | 119.7° | 120.0° |
| C3 | N4 | HN4 | 120.1° | 120.0° |
| N5 | N4 | HN4 | 120.2° | 120.0° |
| N4 | N5 | C15 | 125.4° | 126.4° |
| N4 | N5 | C12 | 124.2° | 126.3° |
| C15 | N5 | C12 | 110.4° | 107.3° |
| N5 | C15 | N14 | 107.4° | 110.1° |
| N5 | C15 | H15 | 126.3° | 125.0° |
| N5 | C12 | C16 | 132.3° | 134.2° |
| N5 | C12 | C13 | 105.4° | 106.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | C9 | 122.1° | 120.0° |
| C7 | C8 | H8 | 119.0° | 120.0° |
| C9 | C8 | H8 | 118.9° | 120.1° |
| C8 | C9 | C10 | 117.9° | 120.0° |
| C8 | C9 | H9 | 121.0° | 120.0° |
| C10 | C9 | H9 | 121.0° | 120.0° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | H11 | 119.1° | 120.0° |
| C16 | C12 | C13 | 122.3° | 119.8° |
| C12 | C16 | C17 | 115.4° | 119.7° |
| C12 | C16 | H16 | 122.3° | 120.1° |
| C12 | C13 | N14 | 107.0° | 107.0° |
| C12 | C13 | C19 | 122.5° | 119.5° |
| N14 | C13 | C19 | 130.5° | 133.5° |
| C13 | N14 | C15 | 109.8° | 109.6° |
| C13 | C19 | C18 | 115.2° | 119.9° |
| C13 | C19 | H19 | 122.4° | 120.1° |
| N14 | C15 | H15 | 126.3° | 124.9° |
| C17 | C16 | H16 | 122.3° | 120.2° |
| C16 | C17 | C18 | 121.5° | 120.5° |
| C16 | C17 | H17 | 119.2° | 119.8° |
| C18 | C17 | H17 | 119.3° | 119.7° |
| C17 | C18 | C19 | 123.1° | 120.6° |
| C17 | C18 | H18 | 118.5° | 119.7° |
| C19 | C18 | H18 | 118.4° | 119.7° |
| C18 | C19 | H19 | 122.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C11 | C2 | 179.9° | 179.7° |
| C7 | C1 | C2 | C3 | 72.4° | 89.7° |
| C7 | C1 | C2 | H2 | 47.6° | 30.3° |
| C7 | C1 | C2 | H2A | 167.6° | 150.3° |
| C1 | C7 | C8 | H7 | 180.0° | 179.9° |
| C1 | C7 | C8 | C9 | 2.2° | 0.1° |
| C1 | C7 | C8 | H8 | 177.8° | 179.9° |
| C7 | C1 | C11 | C10 | 0.5° | 0.0° |
| C7 | C1 | C11 | H11 | 179.5° | 179.7° |
| C11 | C1 | C2 | C3 | 107.8° | 90.0° |
| C11 | C1 | C2 | H2 | 132.2° | 150.0° |
| C11 | C1 | C2 | H2A | 12.2° | 30.0° |
| C11 | C1 | C7 | C8 | 1.0° | 0.1° |
| C11 | C1 | C7 | H7 | 179.0° | 180.0° |
| C1 | C11 | C10 | C9 | 1.2° | 0.0° |
| C1 | C11 | C10 | H11 | 180.0° | 179.7° |
| C1 | C11 | C10 | H10 | 178.8° | 180.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 115.6° | 120.0° |
| C1 | C2 | C3 | N4 | 114.4° | 180.0° |
| C1 | C2 | C3 | O6 | 66.0° | 0.0° |
| C2 | C1 | C7 | C8 | 179.2° | 179.8° |
| C2 | C1 | C7 | H7 | 0.8° | 0.3° |
| C2 | C1 | C11 | C10 | 179.6° | 179.7° |
| C2 | C1 | C11 | H11 | 0.4° | 0.0° |
| C3 | C2 | H2 | H2A | 115.6° | 120.0° |
| C2 | C3 | N4 | O6 | 179.7° | 180.0° |
| C2 | C3 | N4 | N5 | 172.5° | 180.0° |
| C2 | C3 | N4 | HN4 | 7.5° | 0.1° |
| H2 | C2 | C3 | N4 | 5.6° | 60.1° |
| H2 | C2 | C3 | O6 | 174.0° | 119.9° |
| H2A | C2 | C3 | N4 | 125.6° | 60.0° |
| H2A | C2 | C3 | O6 | 54.0° | 120.0° |
| C3 | N4 | N5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | N5 | C15 | 111.9° | 0.0° |
| C3 | N4 | N5 | C12 | 66.7° | 179.8° |
| O6 | C3 | N4 | N5 | 7.2° | 0.0° |
| O6 | C3 | N4 | HN4 | 172.8° | 179.9° |
| N4 | N5 | C15 | C12 | 178.7° | 179.8° |
| N4 | N5 | C12 | C16 | 0.9° | 0.1° |
| N4 | N5 | C12 | C13 | 179.2° | 180.0° |
| N4 | N5 | C15 | N14 | 179.0° | 179.8° |
| N4 | N5 | C15 | H15 | 1.0° | 0.0° |
| HN4 | N4 | N5 | C15 | 68.1° | 180.0° |
| HN4 | N4 | N5 | C12 | 113.3° | 0.3° |
| C15 | N5 | C12 | C16 | 179.7° | 179.7° |
| C15 | N5 | C12 | C13 | 0.5° | 0.2° |
| N5 | C15 | N14 | C13 | 0.1° | 0.4° |
| N5 | C15 | N14 | H15 | 180.0° | 179.8° |
| N5 | C12 | C16 | C13 | 179.8° | 179.9° |
| N5 | C12 | C13 | N14 | 0.5° | 0.0° |
| N5 | C12 | C13 | C19 | 179.6° | 180.0° |
| C12 | N5 | C15 | N14 | 0.3° | 0.4° |
| C12 | N5 | C15 | H15 | 179.7° | 179.8° |
| N5 | C12 | C16 | C17 | 179.5° | 180.0° |
| N5 | C12 | C16 | H16 | 0.5° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.8° | 0.0° |
| C7 | C8 | C9 | H9 | 177.1° | 179.9° |
| H7 | C7 | C8 | C9 | 177.8° | 180.0° |
| H7 | C7 | C8 | H8 | 2.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 2.3° | 0.0° |
| C8 | C9 | C10 | H10 | 177.7° | 180.0° |
| H8 | C8 | C9 | C10 | 177.2° | 180.0° |
| H8 | C8 | C9 | H9 | 2.8° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 178.8° | 179.7° |
| H9 | C9 | C10 | C11 | 177.7° | 179.9° |
| H9 | C9 | C10 | H10 | 2.3° | 0.1° |
| H10 | C10 | C11 | H11 | 1.2° | 0.3° |
| C16 | C12 | C13 | N14 | 179.6° | 180.0° |
| C16 | C12 | C13 | C19 | 0.2° | 0.0° |
| C12 | C16 | C17 | H16 | 180.0° | 180.0° |
| C12 | C16 | C17 | C18 | 1.3° | 0.0° |
| C12 | C16 | C17 | H17 | 178.7° | 180.0° |
| C12 | C13 | N14 | C19 | 179.8° | 180.0° |
| C12 | C13 | N14 | C15 | 0.4° | 0.2° |
| C13 | C12 | C16 | C17 | 0.3° | 0.0° |
| C13 | C12 | C16 | H16 | 179.7° | 180.0° |
| C12 | C13 | C19 | C18 | 1.5° | 0.0° |
| C12 | C13 | C19 | H19 | 178.5° | 180.0° |
| C13 | N14 | C15 | H15 | 179.9° | 179.8° |
| N14 | C13 | C19 | C18 | 178.8° | 180.0° |
| N14 | C13 | C19 | H19 | 1.3° | 0.0° |
| C19 | C13 | N14 | C15 | 179.8° | 179.8° |
| C13 | C19 | C18 | C17 | 3.1° | 0.1° |
| C13 | C19 | C18 | H19 | 180.0° | 180.0° |
| C13 | C19 | C18 | H18 | 176.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 3.2° | 0.1° |
| C16 | C17 | C18 | H18 | 176.8° | 180.0° |
| H16 | C16 | C17 | C18 | 178.7° | 180.0° |
| H16 | C16 | C17 | H17 | 1.3° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 176.8° | 180.0° |
| H17 | C17 | C18 | C19 | 176.8° | 179.9° |
| H17 | C17 | C18 | H18 | 3.2° | 0.0° |
| H18 | C18 | C19 | H19 | 3.2° | 0.0° |
