A1LX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C06 | sing | 1.51Å | 1.56Å | |
| C08 | C09 | doub | 1.37Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.45Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C06 | O05 | sing | 1.42Å | 1.41Å | |
| C07 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| O05 | C04 | sing | 1.42Å | 1.40Å | |
| C12 | C11 | sing | 1.39Å | 1.45Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.58Å | |
| C04 | C03 | sing | 1.52Å | 1.56Å | |
| C13 | N02 | sing | 1.46Å | 1.42Å | |
| N02 | C03 | sing | 1.47Å | 1.37Å | |
| N02 | C01 | sing | 1.47Å | 1.27Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| 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) |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C17 | C16 | C15 | 119.3° | 120.0° |
| C16 | C17 | H5 | 119.8° | 120.0° |
| C17 | C16 | H17 | 120.3° | 120.1° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C18 | C17 | H5 | 119.7° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C16 | C15 | C14 | 120.4° | 120.0° |
| C16 | C15 | H4 | 119.8° | 120.0° |
| C15 | C16 | H17 | 120.3° | 119.9° |
| C18 | C19 | C14 | 119.8° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C15 | C14 | C19 | 120.0° | 120.0° |
| C15 | C14 | C06 | 119.5° | 120.0° |
| C14 | C15 | H4 | 119.8° | 120.0° |
| C19 | C14 | C06 | 120.6° | 120.0° |
| C14 | C19 | H19 | 120.1° | 120.0° |
| C14 | C06 | C07 | 109.0° | 108.7° |
| C14 | C06 | O05 | 108.5° | 108.0° |
| C14 | C06 | H13 | 105.2° | 108.6° |
| C09 | C08 | C07 | 122.1° | 121.5° |
| C08 | C09 | C10 | 119.9° | 119.9° |
| C09 | C08 | H14 | 119.0° | 119.3° |
| C08 | C09 | H15 | 120.1° | 120.0° |
| C08 | C07 | C06 | 115.1° | 114.3° |
| C08 | C07 | C12 | 118.0° | 118.1° |
| C07 | C08 | H14 | 118.9° | 119.2° |
| C09 | C10 | C11 | 118.7° | 119.1° |
| C09 | C10 | H1 | 120.6° | 120.5° |
| C10 | C09 | H15 | 120.1° | 120.1° |
| C07 | C06 | O05 | 120.9° | 113.3° |
| C06 | C07 | C12 | 126.9° | 127.6° |
| C07 | C06 | H13 | 105.3° | 108.7° |
| C06 | O05 | C04 | 116.3° | 113.4° |
| O05 | C06 | H13 | 106.8° | 109.4° |
| C07 | C12 | C11 | 118.9° | 120.4° |
| C07 | C12 | C13 | 127.0° | 123.1° |
| C10 | C11 | C12 | 122.4° | 120.9° |
| C11 | C10 | H1 | 120.7° | 120.4° |
| C10 | C11 | H16 | 118.8° | 119.5° |
| O05 | C04 | C03 | 111.6° | 112.3° |
| O05 | C04 | H11 | 108.9° | 109.0° |
| O05 | C04 | H12 | 108.9° | 108.8° |
| C11 | C12 | C13 | 114.1° | 116.4° |
| C12 | C11 | H16 | 118.8° | 119.5° |
| C12 | C13 | N02 | 122.8° | 110.8° |
| C12 | C13 | H2 | 106.0° | 109.2° |
| C12 | C13 | H3 | 106.1° | 109.2° |
| C04 | C03 | N02 | 111.2° | 104.6° |
| C04 | C03 | H9 | 109.1° | 110.4° |
| C04 | C03 | H10 | 109.1° | 110.5° |
| C03 | C04 | H11 | 108.9° | 108.9° |
| C03 | C04 | H12 | 108.9° | 108.9° |
| C13 | N02 | C03 | 119.2° | 112.7° |
| C13 | N02 | C01 | 107.9° | 111.0° |
| N02 | C13 | H2 | 106.1° | 109.2° |
| N02 | C13 | H3 | 106.1° | 109.2° |
| C03 | N02 | C01 | 109.1° | 111.0° |
| N02 | C03 | H9 | 109.0° | 110.4° |
| N02 | C03 | H10 | 109.0° | 110.4° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C01 | H7 | 109.5° | 109.5° |
| N02 | C01 | H8 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.2° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.5° | 110.4° |
| H11 | C04 | H12 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H5 | 180.0° | 179.5° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.8° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H4 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.5° |
| C17 | C18 | C19 | H18 | 180.0° | 179.2° |
| C17 | C18 | C19 | C14 | 0.1° | 0.6° |
| C18 | C17 | C16 | H17 | 179.8° | 179.4° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C16 | C15 | C14 | H4 | 180.0° | 179.7° |
| C16 | C15 | C14 | C19 | 0.3° | 0.3° |
| C16 | C15 | C14 | C06 | 180.0° | 179.7° |
| C15 | C16 | C17 | H5 | 179.8° | 180.0° |
| C18 | C19 | C14 | C15 | 0.4° | 0.0° |
| C18 | C19 | C14 | H19 | 180.0° | 179.5° |
| C18 | C19 | C14 | C06 | 180.0° | 180.0° |
| C19 | C18 | C17 | H5 | 179.9° | 179.7° |
| C15 | C14 | C19 | C06 | 179.7° | 180.0° |
| C15 | C14 | C06 | C07 | 126.3° | 100.0° |
| C15 | C14 | C06 | O05 | 100.2° | 136.6° |
| C15 | C14 | C06 | H13 | 13.7° | 18.1° |
| C14 | C15 | C16 | H17 | 180.0° | 180.0° |
| C15 | C14 | C19 | H19 | 179.6° | 179.5° |
| C19 | C14 | C06 | C07 | 54.0° | 80.0° |
| C19 | C14 | C06 | O05 | 79.5° | 43.3° |
| C19 | C14 | C15 | H4 | 179.7° | 180.0° |
| C19 | C14 | C06 | H13 | 166.6° | 161.9° |
| C14 | C19 | C18 | H18 | 179.9° | 179.7° |
| C14 | C06 | C07 | C08 | 78.6° | 60.1° |
| C14 | C06 | C07 | O05 | 126.7° | 120.1° |
| C14 | C06 | C07 | H13 | 112.4° | 118.0° |
| C14 | C06 | O05 | H13 | 112.9° | 118.0° |
| C14 | C06 | C07 | C12 | 102.5° | 120.8° |
| C14 | C06 | O05 | C04 | 173.7° | 155.9° |
| C06 | C14 | C15 | H4 | 0.0° | 0.0° |
| C06 | C14 | C19 | H19 | 0.1° | 0.5° |
| C09 | C08 | C07 | H14 | 180.0° | 179.6° |
| C08 | C09 | C10 | H15 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 179.8° | 177.8° |
| C09 | C08 | C07 | C12 | 1.2° | 1.4° |
| C08 | C09 | C10 | C11 | 0.1° | 1.3° |
| C08 | C09 | C10 | H1 | 179.9° | 178.4° |
| C07 | C08 | C09 | C10 | 0.6° | 0.9° |
| C08 | C07 | C06 | C12 | 178.9° | 179.0° |
| C08 | C07 | C06 | O05 | 154.7° | 179.7° |
| C08 | C07 | C12 | C11 | 1.1° | 3.2° |
| C08 | C07 | C12 | C13 | 179.6° | 172.8° |
| C08 | C07 | C06 | H13 | 33.9° | 57.9° |
| C07 | C08 | C09 | H15 | 179.5° | 179.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.5° |
| C10 | C09 | C08 | H14 | 179.5° | 179.6° |
| C09 | C10 | C11 | H16 | 179.9° | 179.5° |
| C07 | C06 | O05 | H13 | 120.2° | 121.5° |
| C07 | C06 | O05 | C04 | 59.4° | 83.5° |
| C06 | C07 | C12 | C11 | 180.0° | 175.8° |
| C06 | C07 | C12 | C13 | 1.5° | 8.1° |
| C06 | C07 | C08 | H14 | 0.2° | 2.7° |
| O05 | C06 | C07 | C12 | 24.2° | 0.7° |
| C06 | O05 | C04 | C03 | 94.4° | 61.2° |
| C06 | O05 | C04 | H11 | 145.3° | 59.5° |
| C06 | O05 | C04 | H12 | 25.9° | 178.1° |
| C07 | C12 | C11 | C10 | 0.5° | 2.8° |
| C07 | C12 | C11 | C13 | 178.7° | 176.3° |
| C07 | C12 | C13 | N02 | 43.2° | 83.5° |
| C07 | C12 | C13 | H2 | 165.1° | 156.1° |
| C07 | C12 | C13 | H3 | 78.6° | 36.8° |
| C12 | C07 | C06 | H13 | 145.0° | 121.2° |
| C12 | C07 | C08 | H14 | 178.8° | 178.2° |
| C07 | C12 | C11 | H16 | 179.5° | 177.2° |
| C10 | C11 | C12 | H16 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 179.2° | 173.4° |
| C11 | C10 | C09 | H15 | 179.9° | 178.6° |
| O05 | C04 | C03 | H11 | 120.3° | 120.8° |
| O05 | C04 | C03 | H12 | 120.3° | 120.6° |
| O05 | C04 | C03 | N02 | 12.9° | 66.5° |
| O05 | C04 | C03 | H9 | 133.2° | 174.8° |
| O05 | C04 | C03 | H10 | 107.3° | 52.3° |
| O05 | C04 | H11 | H12 | 119.0° | 118.5° |
| C04 | O05 | C06 | H13 | 60.8° | 37.9° |
| C11 | C12 | C13 | N02 | 138.2° | 100.3° |
| C12 | C11 | C10 | H1 | 179.9° | 179.8° |
| C11 | C12 | C13 | H2 | 16.4° | 20.0° |
| C11 | C12 | C13 | H3 | 100.0° | 139.4° |
| C12 | C13 | N02 | H2 | 121.8° | 120.3° |
| C12 | C13 | N02 | H3 | 121.8° | 120.3° |
| C12 | C13 | N02 | C03 | 30.6° | 37.1° |
| C12 | C13 | N02 | C01 | 155.7° | 88.2° |
| C12 | C13 | H2 | H3 | 114.0° | 119.3° |
| C13 | C12 | C11 | H16 | 0.8° | 6.5° |
| C04 | C03 | N02 | C13 | 93.3° | 75.2° |
| C04 | C03 | N02 | H9 | 120.3° | 118.7° |
| C04 | C03 | N02 | H10 | 120.3° | 118.9° |
| C04 | C03 | N02 | C01 | 142.2° | 159.6° |
| C04 | C03 | H9 | H10 | 119.2° | 122.5° |
| C03 | C04 | H11 | H12 | 119.0° | 118.6° |
| C13 | N02 | C03 | C01 | 124.5° | 125.2° |
| N02 | C13 | H2 | H3 | 114.0° | 119.4° |
| C13 | N02 | C01 | H6 | 180.0° | 60.0° |
| C13 | N02 | C01 | H7 | 60.0° | 180.0° |
| C13 | N02 | C01 | H8 | 60.0° | 60.0° |
| C13 | N02 | C03 | H9 | 146.4° | 166.1° |
| C13 | N02 | C03 | H10 | 27.0° | 43.7° |
| C03 | N02 | C13 | H2 | 91.2° | 157.4° |
| C03 | N02 | C13 | H3 | 152.4° | 83.2° |
| C03 | N02 | C01 | H6 | 49.1° | 173.8° |
| C03 | N02 | C01 | H7 | 70.9° | 53.8° |
| C03 | N02 | C01 | H8 | 169.1° | 66.2° |
| N02 | C03 | H9 | H10 | 119.2° | 122.3° |
| N02 | C03 | C04 | H11 | 107.4° | 172.7° |
| N02 | C03 | C04 | H12 | 133.3° | 54.1° |
| C01 | N02 | C13 | H2 | 33.8° | 32.1° |
| C01 | N02 | C13 | H3 | 82.5° | 151.5° |
| N02 | C01 | H6 | H7 | 120.0° | 120.0° |
| N02 | C01 | H6 | H8 | 120.0° | 120.0° |
| N02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | N02 | C03 | H9 | 22.0° | 40.8° |
| C01 | N02 | C03 | H10 | 97.5° | 81.5° |
| H1 | C10 | C09 | H15 | 0.1° | 1.7° |
| H1 | C10 | C11 | H16 | 0.1° | 0.2° |
| H4 | C15 | C16 | H17 | 0.0° | 0.3° |
| H5 | C17 | C16 | H17 | 0.2° | 0.1° |
| H5 | C17 | C18 | H18 | 0.2° | 0.5° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | C04 | H11 | 12.9° | 54.0° |
| H9 | C03 | C04 | H12 | 106.5° | 64.7° |
| H10 | C03 | C04 | H11 | 132.4° | 68.5° |
| H10 | C03 | C04 | H12 | 13.0° | 172.9° |
| H14 | C08 | C09 | H15 | 0.5° | 0.6° |
| H18 | C18 | C19 | H19 | 0.1° | 0.8° |
