A1LU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C17 | sing | 1.74Å | 1.78Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C | sing | 1.35Å | 1.41Å | |
| N3 | C11 | sing | 1.36Å | 1.34Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | C1 | sing | 1.41Å | 1.38Å | |
| C11 | C3 | doub | 1.37Å | 1.38Å | |
| C3 | C2 | sing | 1.41Å | 1.40Å | |
| C3 | C4 | sing | 1.48Å | 1.49Å | |
| C2 | C1 | doub | 1.36Å | 1.39Å | |
| C4 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.45Å | Aromatic |
| C10 | N | sing | 1.40Å | 1.34Å | |
| C10 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C17 | C16 | 117.6° | 120.0° |
| CL | C17 | C18 | 120.9° | 120.0° |
| C16 | C17 | C18 | 121.5° | 120.0° |
| C17 | C16 | C15 | 119.2° | 120.0° |
| C17 | C16 | H13 | 120.4° | 120.0° |
| C17 | C18 | C13 | 119.1° | 120.0° |
| C17 | C18 | H14 | 120.5° | 120.0° |
| C16 | C15 | C14 | 119.8° | 120.0° |
| C15 | C16 | H13 | 120.4° | 120.1° |
| C16 | C15 | H12 | 120.1° | 119.9° |
| C15 | C14 | C13 | 120.8° | 120.1° |
| C14 | C15 | H12 | 120.1° | 120.0° |
| C15 | C14 | H11 | 119.6° | 120.0° |
| C14 | C13 | C18 | 119.6° | 120.0° |
| C14 | C13 | C12 | 119.2° | 120.0° |
| C13 | C14 | H11 | 119.6° | 119.9° |
| C18 | C13 | C12 | 121.3° | 120.0° |
| C13 | C18 | H14 | 120.5° | 120.0° |
| C13 | C12 | N3 | 110.4° | 109.5° |
| C13 | C12 | H10 | 109.3° | 109.5° |
| C13 | C12 | H9 | 109.2° | 109.4° |
| C12 | N3 | C | 119.5° | 119.6° |
| C12 | N3 | C11 | 119.1° | 119.6° |
| N3 | C12 | H10 | 109.2° | 109.5° |
| N3 | C12 | H9 | 109.2° | 109.5° |
| C | N3 | C11 | 121.3° | 120.8° |
| N3 | C | O | 121.9° | 119.8° |
| N3 | C | C1 | 118.1° | 120.4° |
| N3 | C11 | C3 | 121.3° | 120.6° |
| N3 | C11 | H8 | 119.3° | 119.7° |
| O | C | C1 | 120.0° | 119.8° |
| C | C1 | C2 | 120.3° | 119.4° |
| C | C1 | H | 119.9° | 120.3° |
| C11 | C3 | C2 | 118.6° | 119.7° |
| C11 | C3 | C4 | 119.9° | 120.2° |
| C3 | C11 | H8 | 119.4° | 119.7° |
| C2 | C3 | C4 | 121.3° | 120.2° |
| C3 | C2 | C1 | 120.2° | 119.2° |
| C3 | C2 | H1 | 119.9° | 120.4° |
| C3 | C4 | C9 | 121.9° | 119.8° |
| C3 | C4 | C5 | 117.8° | 119.8° |
| C1 | C2 | H1 | 119.9° | 120.4° |
| C2 | C1 | H | 119.8° | 120.3° |
| C9 | C4 | C5 | 120.2° | 120.4° |
| C4 | C9 | C8 | 120.8° | 120.5° |
| C4 | C9 | H4 | 119.6° | 119.7° |
| C4 | C5 | C6 | 120.9° | 119.7° |
| C4 | C5 | H2 | 119.5° | 120.2° |
| C9 | C8 | C7 | 118.7° | 119.9° |
| C8 | C9 | H4 | 119.6° | 119.8° |
| C9 | C8 | H3 | 120.6° | 120.1° |
| C8 | C7 | C10 | 136.1° | 133.7° |
| C8 | C7 | C6 | 121.7° | 120.0° |
| C7 | C8 | H3 | 120.7° | 120.0° |
| C10 | C7 | C6 | 102.2° | 106.3° |
| C7 | C10 | N | 123.3° | 126.2° |
| C7 | C10 | N1 | 113.6° | 107.7° |
| C7 | C6 | N2 | 106.9° | 106.8° |
| C7 | C6 | C5 | 117.6° | 119.5° |
| N | C10 | N1 | 123.1° | 126.2° |
| C10 | N | H5 | 109.5° | 120.0° |
| C10 | N | H6 | 109.5° | 120.0° |
| C10 | N1 | N2 | 103.4° | 110.1° |
| N1 | N2 | C6 | 114.0° | 109.2° |
| N1 | N2 | H7 | 123.0° | 125.4° |
| N2 | C6 | C5 | 135.5° | 133.7° |
| C6 | N2 | H7 | 123.0° | 125.4° |
| C6 | C5 | H2 | 119.5° | 120.2° |
| H10 | C12 | H9 | 109.4° | 109.5° |
| H5 | N | H6 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C17 | C16 | C18 | 178.9° | 179.8° |
| CL | C17 | C16 | C15 | 179.3° | 180.0° |
| CL | C17 | C18 | C13 | 179.4° | 179.7° |
| CL | C17 | C16 | H13 | 0.8° | 0.1° |
| CL | C17 | C18 | H14 | 0.6° | 0.0° |
| C17 | C16 | C15 | H13 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.4° | 0.1° |
| C16 | C17 | C18 | C13 | 0.5° | 0.5° |
| C17 | C16 | C15 | H12 | 179.6° | 180.0° |
| C16 | C17 | C18 | H14 | 179.5° | 179.8° |
| C18 | C17 | C16 | C15 | 0.3° | 0.2° |
| C17 | C18 | C13 | C14 | 0.1° | 0.6° |
| C17 | C18 | C13 | H14 | 180.0° | 179.7° |
| C17 | C18 | C13 | C12 | 179.3° | 179.7° |
| C18 | C17 | C16 | H13 | 179.7° | 179.7° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C16 | C15 | C14 | H11 | 179.0° | 179.9° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.8° | 0.3° |
| C15 | C14 | C13 | C12 | 179.9° | 180.0° |
| C14 | C15 | C16 | H13 | 179.6° | 180.0° |
| C14 | C13 | C18 | C12 | 179.3° | 179.7° |
| C14 | C13 | C12 | N3 | 125.3° | 90.0° |
| C13 | C14 | C15 | H12 | 179.0° | 179.9° |
| C14 | C13 | C18 | H14 | 179.9° | 179.7° |
| C14 | C13 | C12 | H10 | 5.2° | 150.0° |
| C14 | C13 | C12 | H9 | 114.5° | 30.0° |
| C18 | C13 | C12 | N3 | 55.4° | 89.8° |
| C18 | C13 | C14 | H11 | 179.1° | 179.8° |
| C18 | C13 | C12 | H10 | 175.6° | 30.3° |
| C18 | C13 | C12 | H9 | 64.8° | 150.3° |
| C13 | C12 | N3 | H10 | 120.2° | 120.1° |
| C13 | C12 | N3 | H9 | 120.1° | 119.9° |
| C13 | C12 | N3 | C | 78.4° | 90.0° |
| C13 | C12 | N3 | C11 | 101.4° | 90.2° |
| C12 | C13 | C14 | H11 | 0.1° | 0.0° |
| C12 | C13 | C18 | H14 | 0.7° | 0.0° |
| C13 | C12 | H10 | H9 | 119.6° | 120.0° |
| C12 | N3 | C | C11 | 179.9° | 179.7° |
| C12 | N3 | C | O | 0.5° | 0.0° |
| C12 | N3 | C | C1 | 179.2° | 180.0° |
| C12 | N3 | C11 | C3 | 178.5° | 179.9° |
| N3 | C12 | H10 | H9 | 119.6° | 120.0° |
| C12 | N3 | C11 | H8 | 1.6° | 0.1° |
| N3 | C | O | C1 | 179.7° | 180.0° |
| C | N3 | C11 | C3 | 1.4° | 0.2° |
| N3 | C | C1 | C2 | 1.2° | 0.1° |
| C | N3 | C12 | H10 | 41.7° | 30.0° |
| C | N3 | C12 | H9 | 161.4° | 150.0° |
| C | N3 | C11 | H8 | 178.6° | 179.7° |
| N3 | C | C1 | H | 178.8° | 180.0° |
| C11 | N3 | C | O | 179.6° | 179.7° |
| C11 | N3 | C | C1 | 0.7° | 0.3° |
| N3 | C11 | C3 | H8 | 180.0° | 179.9° |
| N3 | C11 | C3 | C2 | 2.7° | 0.1° |
| N3 | C11 | C3 | C4 | 178.1° | 179.9° |
| C11 | N3 | C12 | H10 | 138.4° | 149.7° |
| C11 | N3 | C12 | H9 | 18.7° | 29.7° |
| O | C | C1 | C2 | 179.0° | 179.9° |
| O | C | C1 | H | 1.0° | 0.0° |
| C | C1 | C2 | C3 | 2.5° | 0.2° |
| C | C1 | C2 | H | 180.0° | 180.0° |
| C | C1 | C2 | H1 | 177.5° | 179.9° |
| C11 | C3 | C2 | C4 | 175.4° | 180.0° |
| C11 | C3 | C2 | C1 | 3.2° | 0.3° |
| C11 | C3 | C4 | C9 | 17.3° | 65.0° |
| C11 | C3 | C4 | C5 | 159.3° | 115.3° |
| C11 | C3 | C2 | H1 | 176.8° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | C9 | 167.4° | 115.0° |
| C2 | C3 | C4 | C5 | 16.0° | 64.7° |
| C2 | C3 | C11 | H8 | 177.3° | 179.9° |
| C3 | C2 | C1 | H | 177.5° | 179.7° |
| C4 | C3 | C2 | C1 | 178.6° | 179.7° |
| C3 | C4 | C9 | C5 | 176.5° | 179.7° |
| C3 | C4 | C9 | C8 | 178.6° | 180.0° |
| C3 | C4 | C5 | C6 | 178.0° | 179.8° |
| C4 | C3 | C11 | H8 | 1.9° | 0.1° |
| C4 | C3 | C2 | H1 | 1.4° | 0.0° |
| C3 | C4 | C9 | H4 | 1.4° | 0.0° |
| C3 | C4 | C5 | H2 | 2.0° | 0.0° |
| C4 | C9 | C8 | H4 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 1.5° | 0.0° |
| C9 | C4 | C5 | C6 | 1.4° | 0.5° |
| C4 | C9 | C8 | H3 | 178.5° | 180.0° |
| C9 | C4 | C5 | H2 | 178.6° | 179.7° |
| C5 | C4 | C9 | C8 | 2.1° | 0.3° |
| C4 | C5 | C6 | C7 | 0.2° | 0.5° |
| C4 | C5 | C6 | N2 | 179.7° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C5 | C4 | C9 | H4 | 177.9° | 179.7° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C10 | 178.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C8 | C7 | C10 | C6 | 178.5° | 180.0° |
| C8 | C7 | C10 | N | 2.0° | 0.0° |
| C8 | C7 | C10 | N1 | 178.9° | 180.0° |
| C8 | C7 | C6 | N2 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.2° |
| C7 | C8 | C9 | H4 | 178.5° | 180.0° |
| C7 | C10 | N | N1 | 179.0° | 180.0° |
| C7 | C10 | N1 | N2 | 0.3° | 0.1° |
| C10 | C7 | C6 | N2 | 0.9° | 0.0° |
| C10 | C7 | C6 | C5 | 179.1° | 179.7° |
| C10 | C7 | C8 | H3 | 2.0° | 0.0° |
| C7 | C10 | N | H5 | 179.0° | 0.0° |
| C7 | C10 | N | H6 | 61.0° | 180.0° |
| C6 | C7 | C10 | N | 179.5° | 180.0° |
| C6 | C7 | C10 | N1 | 0.4° | 0.0° |
| C7 | C6 | N2 | N1 | 1.2° | 0.0° |
| C7 | C6 | N2 | C5 | 179.9° | 179.7° |
| C6 | C7 | C8 | H3 | 179.7° | 180.0° |
| C7 | C6 | N2 | H7 | 178.8° | 180.0° |
| C7 | C6 | C5 | H2 | 179.8° | 179.8° |
| N | C10 | N1 | N2 | 178.8° | 180.0° |
| C10 | N | H5 | H6 | 120.0° | 180.0° |
| C10 | N1 | N2 | C6 | 1.0° | 0.1° |
| N1 | C10 | N | H5 | 0.0° | 180.0° |
| N1 | C10 | N | H6 | 120.0° | 0.0° |
| C10 | N1 | N2 | H7 | 179.0° | 180.0° |
| N1 | N2 | C6 | H7 | 180.0° | 179.9° |
| N1 | N2 | C6 | C5 | 178.9° | 179.7° |
| N2 | C6 | C5 | H2 | 0.3° | 0.1° |
| C5 | C6 | N2 | H7 | 1.2° | 0.3° |
| H13 | C16 | C15 | H12 | 0.4° | 0.1° |
| H12 | C15 | C14 | H11 | 1.0° | 0.0° |
| H1 | C2 | C1 | H | 2.5° | 0.0° |
| H4 | C9 | C8 | H3 | 1.5° | 0.0° |
