A1IDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C10 | sing | 1.74Å | 1.74Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| F | C | sing | 1.35Å | 1.36Å | |
| C1 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N | sing | 1.46Å | 1.46Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.44Å | |
| N | C13 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | sing | 1.47Å | 1.51Å | |
| C13 | O | doub | 1.22Å | 1.22Å | |
| C15 | C14 | doub | 1.33Å | 1.49Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C10 | C11 | 119.1° | 120.0° |
| CL | C10 | C9 | 119.6° | 120.0° |
| C11 | C10 | C9 | 121.3° | 120.0° |
| C10 | C11 | C12 | 119.1° | 120.0° |
| C10 | C11 | H5 | 120.5° | 120.0° |
| C10 | C9 | C8 | 119.0° | 119.9° |
| C10 | C9 | H4 | 120.5° | 120.0° |
| C11 | C12 | C7 | 121.2° | 120.0° |
| C12 | C11 | H5 | 120.5° | 120.0° |
| C11 | C12 | H6 | 119.4° | 120.0° |
| C9 | C8 | C7 | 121.0° | 120.0° |
| C9 | C8 | H3 | 119.5° | 120.0° |
| C8 | C9 | H4 | 120.5° | 120.1° |
| C12 | C7 | C8 | 118.5° | 120.0° |
| C12 | C7 | C6 | 120.3° | 120.0° |
| C7 | C12 | H6 | 119.4° | 120.0° |
| C8 | C7 | C6 | 121.2° | 120.0° |
| C7 | C8 | H3 | 119.5° | 120.0° |
| C7 | C6 | N | 113.7° | 109.5° |
| C7 | C6 | H14 | 108.4° | 109.5° |
| C7 | C6 | H15 | 108.4° | 109.4° |
| F | C | C1 | 118.4° | 119.9° |
| F | C | C5 | 118.5° | 120.0° |
| C | C1 | C2 | 118.3° | 120.0° |
| C1 | C | C5 | 123.0° | 120.1° |
| C | C1 | H1 | 120.9° | 120.0° |
| C1 | C2 | C3 | 120.5° | 119.9° |
| C2 | C1 | H1 | 120.8° | 119.9° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C | C5 | C4 | 118.4° | 120.1° |
| C | C5 | H13 | 120.8° | 120.0° |
| C2 | C3 | C4 | 119.3° | 119.9° |
| C2 | C3 | N | 120.5° | 120.1° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C6 | N | C3 | 117.8° | 120.0° |
| C6 | N | C13 | 117.2° | 120.0° |
| N | C6 | H14 | 108.4° | 109.5° |
| N | C6 | H15 | 108.4° | 109.5° |
| C5 | C4 | C3 | 120.5° | 119.9° |
| C5 | C4 | H12 | 119.8° | 120.1° |
| C4 | C5 | H13 | 120.8° | 119.9° |
| C4 | C3 | N | 120.2° | 120.0° |
| C3 | C4 | H12 | 119.8° | 120.0° |
| C3 | N | C13 | 125.0° | 120.0° |
| N | C13 | C14 | 118.2° | 120.0° |
| N | C13 | O | 121.5° | 120.0° |
| C14 | C13 | O | 120.0° | 120.0° |
| C13 | C14 | C15 | 112.3° | 120.0° |
| C13 | C14 | H7 | 123.9° | 120.0° |
| C15 | C14 | H7 | 123.9° | 120.0° |
| C14 | C15 | H9 | 120.0° | 120.0° |
| C14 | C15 | H10 | 120.0° | 120.0° |
| H9 | C15 | H10 | 120.0° | 120.0° |
| H14 | C6 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C10 | C11 | C9 | 178.5° | 179.7° |
| CL | C10 | C11 | C12 | 177.4° | 180.0° |
| CL | C10 | C9 | C8 | 178.0° | 179.7° |
| CL | C10 | C9 | H4 | 1.9° | 0.3° |
| CL | C10 | C11 | H5 | 2.6° | 0.3° |
| C10 | C11 | C12 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C12 | C7 | 1.1° | 0.6° |
| C11 | C10 | C9 | H4 | 179.6° | 179.9° |
| C10 | C11 | C12 | H6 | 178.9° | 179.9° |
| C9 | C10 | C11 | C12 | 1.1° | 0.3° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C10 | C9 | C8 | H3 | 179.8° | 180.0° |
| C9 | C10 | C11 | H5 | 178.9° | 180.0° |
| C11 | C12 | C7 | H6 | 180.0° | 179.5° |
| C11 | C12 | C7 | C8 | 0.4° | 0.6° |
| C11 | C12 | C7 | C6 | 179.9° | 179.7° |
| C9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C12 | C7 | C8 | C6 | 179.4° | 179.7° |
| C12 | C7 | C6 | N | 111.7° | 90.3° |
| C12 | C7 | C8 | H3 | 179.8° | 179.8° |
| C7 | C12 | C11 | H5 | 178.9° | 179.7° |
| C12 | C7 | C6 | H14 | 8.9° | 29.8° |
| C12 | C7 | C6 | H15 | 127.7° | 149.7° |
| C8 | C7 | C6 | N | 67.7° | 90.0° |
| C7 | C8 | C9 | H4 | 179.8° | 179.9° |
| C8 | C7 | C12 | H6 | 179.6° | 180.0° |
| C8 | C7 | C6 | H14 | 171.7° | 150.0° |
| C8 | C7 | C6 | H15 | 52.9° | 30.0° |
| C7 | C6 | N | H14 | 120.6° | 120.0° |
| C7 | C6 | N | H15 | 120.6° | 120.0° |
| C7 | C6 | N | C3 | 49.8° | 90.0° |
| C7 | C6 | N | C13 | 131.4° | 90.0° |
| C6 | C7 | C8 | H3 | 0.8° | 0.0° |
| C6 | C7 | C12 | H6 | 0.1° | 0.2° |
| C7 | C6 | H14 | H15 | 118.1° | 120.0° |
| F | C | C1 | C5 | 176.2° | 180.0° |
| F | C | C1 | C2 | 175.3° | 180.0° |
| F | C | C5 | C4 | 175.5° | 180.0° |
| F | C | C1 | H1 | 4.7° | 0.3° |
| F | C | C5 | H13 | 4.5° | 0.0° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C | C5 | C4 | 0.7° | 0.0° |
| C | C1 | C2 | H2 | 179.5° | 179.9° |
| C1 | C | C5 | H13 | 179.4° | 180.0° |
| C2 | C1 | C | C5 | 0.8° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | N | 179.7° | 180.0° |
| C | C5 | C4 | H13 | 180.0° | 179.9° |
| C | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C | C1 | H1 | 179.2° | 179.7° |
| C | C5 | C4 | H12 | 179.9° | 180.0° |
| C2 | C3 | N | C6 | 94.1° | 124.5° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | N | 179.7° | 180.0° |
| C2 | C3 | N | C13 | 87.1° | 55.5° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C2 | C3 | C4 | H12 | 179.8° | 180.0° |
| C6 | N | C3 | C4 | 85.6° | 55.5° |
| C6 | N | C3 | C13 | 178.7° | 180.0° |
| C6 | N | C13 | C14 | 145.4° | 4.0° |
| C6 | N | C13 | O | 28.7° | 176.0° |
| N | C6 | H14 | H15 | 118.1° | 120.0° |
| C5 | C4 | C3 | H12 | 180.0° | 179.9° |
| C5 | C4 | C3 | N | 179.5° | 179.9° |
| C4 | C3 | N | C13 | 93.2° | 124.5° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | H13 | 179.9° | 180.0° |
| C3 | N | C13 | C14 | 35.9° | 175.9° |
| C3 | N | C13 | O | 150.0° | 4.1° |
| N | C3 | C2 | H2 | 0.3° | 0.1° |
| N | C3 | C4 | H12 | 0.5° | 0.0° |
| C3 | N | C6 | H14 | 70.8° | 30.0° |
| C3 | N | C6 | H15 | 170.4° | 150.0° |
| N | C13 | C14 | O | 174.2° | 180.0° |
| N | C13 | C14 | C15 | 95.0° | 179.9° |
| N | C13 | C14 | H7 | 85.0° | 0.0° |
| C13 | N | C6 | H14 | 108.0° | 150.0° |
| C13 | N | C6 | H15 | 10.7° | 30.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | H9 | 180.0° | 0.1° |
| C13 | C14 | C15 | H10 | 0.0° | 180.0° |
| O | C13 | C14 | C15 | 79.1° | 0.0° |
| O | C13 | C14 | H7 | 100.9° | 180.0° |
| C14 | C15 | H9 | H10 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.4° |
| H3 | C8 | C9 | H4 | 0.2° | 0.0° |
| H5 | C11 | C12 | H6 | 1.1° | 0.3° |
| H7 | C14 | C15 | H9 | 0.0° | 180.0° |
| H7 | C14 | C15 | H10 | 180.0° | 0.1° |
| H12 | C4 | C5 | H13 | 0.1° | 0.1° |
