A1H4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.39Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C2 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | F2 | sing | 1.35Å | 1.34Å | |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| N2 | C10 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C12 | doub | 1.33Å | 1.33Å | Aromatic |
| C12 | N4 | sing | 1.38Å | 1.34Å | |
| C9 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | F3 | sing | 1.35Å | 1.34Å | |
| C1 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| C3 | C7 | sing | 1.54Å | 1.52Å | |
| C12 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 120.3° | 119.6° |
| F1 | C1 | C14 | 119.0° | 119.6° |
| C1 | C2 | N1 | 117.7° | 119.6° |
| C1 | C2 | C8 | 118.7° | 120.8° |
| C2 | C1 | C14 | 120.7° | 120.7° |
| C2 | N1 | C3 | 127.6° | 111.0° |
| N1 | C2 | C8 | 123.3° | 119.6° |
| C2 | N1 | H1 | 104.7° | 111.0° |
| N1 | C3 | C4 | 115.9° | 110.0° |
| N1 | C3 | C7 | 109.4° | 110.1° |
| N1 | C3 | H2 | 109.2° | 110.0° |
| C3 | N1 | H1 | 104.8° | 111.1° |
| C3 | C4 | C5 | 107.5° | 106.6° |
| C4 | C3 | C7 | 105.7° | 106.6° |
| C4 | C3 | H2 | 108.1° | 110.1° |
| C3 | C4 | H3 | 109.9° | 110.0° |
| C3 | C4 | H4 | 110.0° | 110.1° |
| C4 | C5 | C6 | 106.6° | 104.2° |
| C5 | C4 | H3 | 110.0° | 110.0° |
| C5 | C4 | H4 | 110.0° | 110.0° |
| C4 | C5 | H5 | 110.2° | 110.5° |
| C4 | C5 | H6 | 110.2° | 110.5° |
| C5 | C6 | C7 | 104.4° | 102.7° |
| C6 | C5 | H5 | 110.2° | 110.5° |
| C6 | C5 | H6 | 110.2° | 110.5° |
| C5 | C6 | H7 | 110.7° | 110.7° |
| C5 | C6 | H8 | 110.7° | 110.7° |
| C6 | C7 | C3 | 106.2° | 104.2° |
| C7 | C6 | H7 | 110.7° | 110.7° |
| C7 | C6 | H8 | 110.7° | 110.8° |
| C6 | C7 | H9 | 110.3° | 110.5° |
| C6 | C7 | H10 | 110.3° | 110.5° |
| C2 | C8 | F2 | 121.6° | 120.3° |
| C2 | C8 | C9 | 120.6° | 119.5° |
| F2 | C8 | C9 | 117.8° | 120.2° |
| C8 | C9 | N2 | 119.1° | 121.8° |
| C8 | C9 | C13 | 119.3° | 119.4° |
| C9 | N2 | C10 | 117.5° | 120.4° |
| N2 | C9 | C13 | 121.5° | 118.7° |
| N2 | C10 | C11 | 117.2° | 118.6° |
| N2 | C10 | N3 | 125.1° | 122.9° |
| C11 | C10 | N3 | 117.6° | 118.5° |
| C10 | C11 | H13 | 109.5° | 109.4° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C10 | C11 | H12 | 109.4° | 109.5° |
| C10 | N3 | C12 | 119.2° | 121.5° |
| N3 | C12 | N4 | 117.8° | 120.8° |
| N3 | C12 | C13 | 121.0° | 118.3° |
| N4 | C12 | C13 | 121.2° | 120.9° |
| C12 | N4 | H15 | 109.5° | 120.0° |
| C12 | N4 | H14 | 109.5° | 120.1° |
| C9 | C13 | C14 | 118.0° | 119.9° |
| C9 | C13 | C12 | 115.6° | 118.1° |
| C13 | C14 | F3 | 120.8° | 120.2° |
| C13 | C14 | C1 | 122.6° | 119.7° |
| C14 | C13 | C12 | 126.4° | 122.0° |
| F3 | C14 | C1 | 116.5° | 120.1° |
| C7 | C3 | H2 | 108.2° | 110.0° |
| C3 | C7 | H9 | 110.3° | 110.5° |
| C3 | C7 | H10 | 110.3° | 110.5° |
| H3 | C4 | H4 | 109.4° | 110.0° |
| H5 | C5 | H6 | 109.5° | 110.6° |
| H7 | C6 | H8 | 109.5° | 110.9° |
| H9 | C7 | H10 | 109.5° | 110.5° |
| H13 | C11 | H11 | 109.5° | 109.5° |
| H13 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H15 | N4 | H14 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C14 | 176.1° | 179.7° |
| F1 | C1 | C2 | N1 | 5.4° | 0.3° |
| F1 | C1 | C2 | C8 | 179.2° | 179.7° |
| F1 | C1 | C14 | C13 | 179.7° | 179.7° |
| F1 | C1 | C14 | F3 | 3.3° | 0.3° |
| C1 | C2 | N1 | C8 | 173.5° | 180.0° |
| C1 | C2 | N1 | C3 | 158.8° | 83.4° |
| C1 | C2 | C8 | F2 | 177.1° | 180.0° |
| C1 | C2 | C8 | C9 | 3.8° | 0.0° |
| C2 | C1 | C14 | C13 | 3.6° | 0.0° |
| C2 | C1 | C14 | F3 | 179.5° | 180.0° |
| C1 | C2 | N1 | H1 | 78.8° | 40.6° |
| C2 | N1 | C3 | H1 | 122.4° | 124.0° |
| C2 | N1 | C3 | C4 | 178.8° | 153.7° |
| N1 | C2 | C8 | F2 | 3.6° | 0.0° |
| N1 | C2 | C8 | C9 | 177.3° | 180.0° |
| N1 | C2 | C1 | C14 | 178.5° | 180.0° |
| C2 | N1 | C3 | C7 | 61.8° | 89.1° |
| C2 | N1 | C3 | H2 | 56.4° | 32.3° |
| N1 | C3 | C4 | C7 | 121.4° | 119.3° |
| N1 | C3 | C4 | H2 | 122.9° | 121.4° |
| N1 | C3 | C4 | C5 | 108.8° | 119.3° |
| N1 | C3 | C7 | C6 | 98.1° | 142.9° |
| C3 | N1 | C2 | C8 | 27.7° | 96.6° |
| N1 | C3 | C7 | H2 | 118.8° | 121.4° |
| N1 | C3 | C4 | H3 | 131.5° | 121.4° |
| N1 | C3 | C4 | H4 | 10.9° | 0.0° |
| N1 | C3 | C7 | H9 | 142.4° | 24.2° |
| N1 | C3 | C7 | H10 | 21.4° | 98.4° |
| C3 | C4 | C5 | H3 | 119.7° | 119.3° |
| C3 | C4 | C5 | H4 | 119.7° | 119.3° |
| C3 | C4 | C5 | C6 | 6.8° | 23.6° |
| C4 | C3 | C7 | C6 | 27.4° | 23.6° |
| C4 | C3 | C7 | H2 | 115.7° | 119.3° |
| C3 | C4 | H3 | H4 | 120.9° | 121.5° |
| C3 | C4 | C5 | H5 | 112.7° | 142.2° |
| C3 | C4 | C5 | H6 | 126.4° | 95.1° |
| C4 | C3 | C7 | H9 | 92.1° | 95.0° |
| C4 | C3 | C7 | H10 | 146.9° | 142.3° |
| C4 | C3 | N1 | H1 | 56.4° | 29.7° |
| C4 | C5 | C6 | H5 | 119.6° | 118.7° |
| C4 | C5 | C6 | H6 | 119.6° | 118.7° |
| C4 | C5 | C6 | C7 | 23.4° | 37.9° |
| C5 | C4 | C3 | C7 | 12.5° | 0.0° |
| C5 | C4 | C3 | H2 | 128.3° | 119.3° |
| C5 | C4 | H3 | H4 | 120.9° | 121.4° |
| C4 | C5 | H5 | H6 | 121.3° | 122.6° |
| C4 | C5 | C6 | H7 | 142.5° | 80.3° |
| C4 | C5 | C6 | H8 | 95.8° | 156.2° |
| C5 | C6 | C7 | H7 | 119.2° | 118.3° |
| C5 | C6 | C7 | H8 | 119.2° | 118.3° |
| C5 | C6 | C7 | C3 | 31.5° | 37.9° |
| C6 | C5 | C4 | H3 | 126.5° | 95.7° |
| C6 | C5 | C4 | H4 | 112.9° | 142.9° |
| C6 | C5 | H5 | H6 | 121.3° | 122.6° |
| C5 | C6 | H7 | H8 | 122.4° | 123.3° |
| C5 | C6 | C7 | H9 | 88.0° | 80.8° |
| C5 | C6 | C7 | H10 | 151.0° | 156.6° |
| C6 | C7 | C3 | H9 | 119.5° | 118.6° |
| C6 | C7 | C3 | H10 | 119.5° | 118.7° |
| C6 | C7 | C3 | H2 | 143.1° | 95.7° |
| C7 | C6 | C5 | H5 | 96.2° | 156.6° |
| C7 | C6 | C5 | H6 | 142.9° | 80.8° |
| C7 | C6 | H7 | H8 | 122.3° | 123.4° |
| C6 | C7 | H9 | H10 | 121.5° | 122.6° |
| C2 | C8 | F2 | C9 | 179.1° | 179.9° |
| C2 | C8 | C9 | N2 | 178.0° | 179.9° |
| C2 | C8 | C9 | C13 | 1.8° | 0.0° |
| C8 | C2 | C1 | C14 | 4.7° | 0.0° |
| C8 | C2 | N1 | H1 | 94.7° | 139.4° |
| F2 | C8 | C9 | N2 | 1.1° | 0.1° |
| F2 | C8 | C9 | C13 | 179.1° | 180.0° |
| C8 | C9 | N2 | C13 | 179.8° | 179.9° |
| C8 | C9 | N2 | C10 | 178.8° | 180.0° |
| C8 | C9 | C13 | C14 | 0.5° | 0.0° |
| C8 | C9 | C13 | C12 | 178.6° | 180.0° |
| C9 | N2 | C10 | C11 | 178.0° | 179.9° |
| C9 | N2 | C10 | N3 | 3.9° | 0.0° |
| N2 | C9 | C13 | C14 | 179.3° | 180.0° |
| N2 | C9 | C13 | C12 | 1.2° | 0.0° |
| N2 | C10 | C11 | N3 | 178.2° | 180.0° |
| N2 | C10 | N3 | C12 | 3.4° | 0.0° |
| C10 | N2 | C9 | C13 | 1.4° | 0.1° |
| N2 | C10 | C11 | H13 | 0.0° | 90.0° |
| N2 | C10 | C11 | H11 | 120.0° | 30.0° |
| N2 | C10 | C11 | H12 | 120.0° | 150.0° |
| C11 | C10 | N3 | C12 | 178.5° | 180.0° |
| C10 | C11 | H13 | H11 | 120.0° | 119.9° |
| C10 | C11 | H13 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C10 | N3 | C12 | N4 | 178.1° | 180.0° |
| C10 | N3 | C12 | C13 | 0.4° | 0.0° |
| N3 | C10 | C11 | H13 | 178.2° | 90.0° |
| N3 | C10 | C11 | H11 | 58.2° | 150.0° |
| N3 | C10 | C11 | H12 | 61.8° | 30.0° |
| N3 | C12 | N4 | C13 | 177.7° | 180.0° |
| N3 | C12 | C13 | C9 | 1.8° | 0.0° |
| N3 | C12 | C13 | C14 | 179.7° | 180.0° |
| N3 | C12 | N4 | H15 | 0.0° | 170.4° |
| N3 | C12 | N4 | H14 | 120.0° | 9.7° |
| N4 | C12 | C13 | C9 | 175.9° | 180.0° |
| N4 | C12 | C13 | C14 | 2.0° | 0.0° |
| C12 | N4 | H15 | H14 | 120.0° | 179.9° |
| C9 | C13 | C14 | C12 | 177.8° | 180.0° |
| C9 | C13 | C14 | F3 | 178.2° | 180.0° |
| C9 | C13 | C14 | C1 | 1.4° | 0.0° |
| C13 | C14 | F3 | C1 | 177.0° | 180.0° |
| F3 | C14 | C13 | C12 | 3.9° | 0.0° |
| C1 | C14 | C13 | C12 | 179.2° | 180.0° |
| C7 | C3 | C4 | H3 | 107.2° | 119.3° |
| C7 | C3 | C4 | H4 | 132.3° | 119.3° |
| C3 | C7 | C6 | H7 | 150.6° | 80.4° |
| C3 | C7 | C6 | H8 | 87.7° | 156.2° |
| C3 | C7 | H9 | H10 | 121.5° | 122.6° |
| C7 | C3 | N1 | H1 | 175.8° | 146.9° |
| C13 | C12 | N4 | H15 | 177.7° | 9.6° |
| C13 | C12 | N4 | H14 | 57.7° | 170.3° |
| H2 | C3 | C4 | H3 | 8.6° | 0.1° |
| H2 | C3 | C4 | H4 | 112.0° | 121.4° |
| H2 | C3 | C7 | H9 | 23.6° | 145.6° |
| H2 | C3 | C7 | H10 | 97.4° | 23.0° |
| H2 | C3 | N1 | H1 | 65.9° | 91.7° |
| H3 | C4 | C5 | H5 | 7.0° | 23.0° |
| H3 | C4 | C5 | H6 | 113.9° | 145.6° |
| H4 | C4 | C5 | H5 | 127.6° | 98.4° |
| H4 | C4 | C5 | H6 | 6.7° | 24.2° |
| H5 | C5 | C6 | H7 | 23.0° | 38.3° |
| H5 | C5 | C6 | H8 | 144.6° | 85.1° |
| H6 | C5 | C6 | H7 | 97.9° | 161.0° |
| H6 | C5 | C6 | H8 | 23.8° | 37.6° |
| H7 | C6 | C7 | H9 | 31.2° | 161.0° |
| H7 | C6 | C7 | H10 | 89.9° | 38.4° |
| H8 | C6 | C7 | H9 | 152.8° | 37.6° |
| H8 | C6 | C7 | H10 | 31.8° | 85.0° |
| H13 | C11 | H11 | H12 | 120.0° | 120.1° |
