A1L6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C6 | doub | 1.21Å | 1.24Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| F2 | C14 | sing | 1.40Å | 1.31Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C13 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C8 | sing | 1.46Å | 1.47Å | |
| F1 | C14 | sing | 1.40Å | 1.31Å | |
| C14 | C11 | sing | 1.51Å | 1.48Å | |
| C14 | F3 | sing | 1.40Å | 1.31Å | |
| N1 | C5 | sing | 1.46Å | 1.45Å | |
| N1 | C4 | sing | 1.35Å | 1.31Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | doub | 1.35Å | 1.28Å | |
| C1 | C2 | sing | 1.47Å | 1.44Å | |
| C1 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | O2 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C6 | N2 | 122.0° | 120.0° |
| O1 | C6 | C5 | 119.4° | 120.0° |
| C7 | N2 | C6 | 122.5° | 120.0° |
| C7 | N2 | C8 | 112.1° | 120.0° |
| N2 | C7 | H5 | 109.5° | 109.4° |
| N2 | C7 | H6 | 109.5° | 109.5° |
| N2 | C7 | H7 | 109.5° | 109.5° |
| F2 | C14 | F1 | 106.5° | 109.5° |
| F2 | C14 | C11 | 111.8° | 109.5° |
| F2 | C14 | F3 | 104.5° | 109.5° |
| C13 | C12 | C11 | 119.7° | 120.1° |
| C12 | C13 | C1 | 120.1° | 119.9° |
| C12 | C13 | H11 | 119.9° | 120.1° |
| C13 | C12 | H12 | 120.2° | 119.9° |
| C12 | C11 | C14 | 118.4° | 119.8° |
| C12 | C11 | C10 | 120.8° | 120.4° |
| C11 | C12 | H12 | 120.1° | 119.9° |
| N2 | C6 | C5 | 118.6° | 120.0° |
| C6 | N2 | C8 | 125.4° | 120.0° |
| C6 | C5 | N1 | 108.7° | 109.4° |
| C6 | C5 | H3 | 109.7° | 109.4° |
| C6 | C5 | H4 | 109.7° | 109.5° |
| C13 | C1 | C2 | 122.3° | 120.2° |
| C13 | C1 | C9 | 119.9° | 119.6° |
| C1 | C13 | H11 | 120.0° | 120.0° |
| N2 | C8 | H8 | 109.5° | 109.5° |
| N2 | C8 | H9 | 109.5° | 109.5° |
| N2 | C8 | H10 | 109.5° | 109.5° |
| F1 | C14 | C11 | 112.5° | 109.5° |
| F1 | C14 | F3 | 106.0° | 109.4° |
| C11 | C14 | F3 | 114.8° | 109.5° |
| C14 | C11 | C10 | 120.8° | 119.8° |
| C5 | N1 | C4 | 119.3° | 120.0° |
| C5 | N1 | H2 | 120.4° | 120.0° |
| N1 | C5 | H3 | 109.7° | 109.5° |
| N1 | C5 | H4 | 109.7° | 109.5° |
| N1 | C4 | C3 | 115.8° | 120.1° |
| N1 | C4 | O2 | 120.1° | 119.9° |
| C4 | N1 | H2 | 120.4° | 120.0° |
| C11 | C10 | C9 | 119.9° | 120.2° |
| C11 | C10 | H15 | 120.1° | 119.9° |
| C4 | C3 | C2 | 121.9° | 120.0° |
| C3 | C4 | O2 | 124.1° | 120.0° |
| C4 | C3 | H13 | 119.1° | 120.0° |
| C3 | C2 | C1 | 127.3° | 120.0° |
| C3 | C2 | H1 | 116.3° | 120.0° |
| C2 | C3 | H13 | 119.1° | 120.0° |
| C2 | C1 | C9 | 117.8° | 120.2° |
| C1 | C2 | H1 | 116.3° | 120.0° |
| C1 | C9 | C10 | 119.7° | 119.8° |
| C1 | C9 | H14 | 120.1° | 120.1° |
| C10 | C9 | H14 | 120.2° | 120.1° |
| C9 | C10 | H15 | 120.0° | 119.9° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.4° |
| H8 | C8 | H10 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | N2 | C7 | 4.4° | 179.7° |
| O1 | C6 | N2 | C5 | 179.5° | 180.0° |
| O1 | C6 | N2 | C8 | 175.8° | 0.0° |
| O1 | C6 | C5 | N1 | 6.6° | 0.0° |
| O1 | C6 | C5 | H3 | 113.2° | 120.0° |
| O1 | C6 | C5 | H4 | 126.5° | 120.0° |
| C7 | N2 | C6 | C8 | 179.8° | 179.7° |
| C7 | N2 | C6 | C5 | 175.0° | 0.3° |
| N2 | C7 | H5 | H6 | 120.0° | 120.0° |
| N2 | C7 | H5 | H7 | 120.0° | 120.0° |
| N2 | C7 | H6 | H7 | 120.0° | 120.1° |
| C7 | N2 | C8 | H8 | 180.0° | 179.7° |
| C7 | N2 | C8 | H9 | 60.0° | 60.3° |
| C7 | N2 | C8 | H10 | 60.0° | 59.7° |
| F2 | C14 | C11 | C12 | 47.2° | 150.3° |
| F2 | C14 | F1 | C11 | 122.8° | 120.1° |
| F2 | C14 | F1 | F3 | 110.9° | 120.0° |
| F2 | C14 | C11 | F3 | 118.8° | 120.0° |
| F2 | C14 | C11 | C10 | 133.3° | 30.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C1 | H11 | 180.0° | 179.7° |
| C13 | C12 | C11 | C14 | 179.7° | 179.7° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | C13 | C1 | C2 | 179.6° | 179.8° |
| C12 | C13 | C1 | C9 | 0.4° | 0.3° |
| C11 | C12 | C13 | C1 | 0.2° | 0.0° |
| C12 | C11 | C14 | F1 | 72.6° | 30.3° |
| C12 | C11 | C14 | C10 | 179.5° | 179.7° |
| C12 | C11 | C14 | F3 | 166.0° | 89.7° |
| C12 | C11 | C10 | C9 | 0.4° | 0.3° |
| C11 | C12 | C13 | H11 | 179.8° | 179.8° |
| C12 | C11 | C10 | H15 | 179.6° | 179.7° |
| N2 | C6 | C5 | N1 | 172.8° | 180.0° |
| N2 | C6 | C5 | H3 | 67.3° | 60.0° |
| N2 | C6 | C5 | H4 | 52.9° | 60.0° |
| C6 | N2 | C7 | H5 | 180.0° | 90.2° |
| C6 | N2 | C7 | H6 | 60.0° | 29.7° |
| C6 | N2 | C7 | H7 | 60.0° | 149.8° |
| C6 | N2 | C8 | H8 | 0.2° | 0.0° |
| C6 | N2 | C8 | H9 | 120.2° | 120.0° |
| C6 | N2 | C8 | H10 | 119.8° | 120.0° |
| C5 | C6 | N2 | C8 | 4.7° | 180.0° |
| C6 | C5 | N1 | H3 | 119.9° | 120.0° |
| C6 | C5 | N1 | H4 | 119.9° | 120.0° |
| C6 | C5 | N1 | C4 | 171.8° | 180.0° |
| C6 | C5 | N1 | H2 | 8.2° | 0.0° |
| C6 | C5 | H3 | H4 | 120.3° | 120.0° |
| C13 | C1 | C2 | C3 | 6.0° | 180.0° |
| C13 | C1 | C2 | C9 | 180.0° | 179.9° |
| C13 | C1 | C9 | C10 | 0.2° | 0.5° |
| C13 | C1 | C2 | H1 | 174.1° | 0.1° |
| C1 | C13 | C12 | H12 | 179.8° | 180.0° |
| C13 | C1 | C9 | H14 | 179.8° | 180.0° |
| C8 | N2 | C7 | H5 | 0.2° | 90.0° |
| C8 | N2 | C7 | H6 | 120.2° | 150.0° |
| C8 | N2 | C7 | H7 | 119.8° | 30.0° |
| N2 | C8 | H8 | H9 | 120.0° | 120.0° |
| N2 | C8 | H8 | H10 | 120.0° | 120.0° |
| N2 | C8 | H9 | H10 | 120.0° | 120.1° |
| F1 | C14 | C11 | F3 | 121.4° | 119.9° |
| F1 | C14 | C11 | C10 | 106.9° | 150.0° |
| C14 | C11 | C10 | C9 | 179.9° | 180.0° |
| C14 | C11 | C12 | H12 | 0.3° | 0.4° |
| C14 | C11 | C10 | H15 | 0.1° | 0.0° |
| F3 | C14 | C11 | C10 | 14.5° | 90.0° |
| C5 | N1 | C4 | H2 | 180.0° | 180.0° |
| C5 | N1 | C4 | C3 | 179.0° | 180.0° |
| C5 | N1 | C4 | O2 | 1.0° | 0.0° |
| N1 | C5 | H3 | H4 | 120.4° | 120.0° |
| N1 | C4 | C3 | O2 | 180.0° | 180.0° |
| N1 | C4 | C3 | C2 | 173.1° | 180.0° |
| C4 | N1 | C5 | H3 | 68.3° | 60.0° |
| C4 | N1 | C5 | H4 | 51.9° | 60.1° |
| N1 | C4 | C3 | H13 | 6.9° | 0.1° |
| C11 | C10 | C9 | C1 | 0.1° | 0.5° |
| C11 | C10 | C9 | H15 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C10 | C9 | H14 | 179.9° | 180.0° |
| C4 | C3 | C2 | H13 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.3° | 180.0° |
| C4 | C3 | C2 | H1 | 0.7° | 0.1° |
| C3 | C4 | N1 | H2 | 1.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C9 | 174.1° | 0.1° |
| C2 | C3 | C4 | O2 | 6.9° | 0.1° |
| C2 | C1 | C9 | C10 | 179.8° | 179.5° |
| C2 | C1 | C13 | H11 | 0.4° | 0.1° |
| C1 | C2 | C3 | H13 | 0.7° | 0.1° |
| C2 | C1 | C9 | H14 | 0.2° | 0.0° |
| C1 | C9 | C10 | H14 | 180.0° | 179.5° |
| C9 | C1 | C2 | H1 | 5.9° | 180.0° |
| C9 | C1 | C13 | H11 | 179.6° | 180.0° |
| C1 | C9 | C10 | H15 | 179.8° | 179.5° |
| O2 | C4 | N1 | H2 | 179.0° | 180.0° |
| O2 | C4 | C3 | H13 | 173.0° | 180.0° |
| H1 | C2 | C3 | H13 | 179.3° | 180.0° |
| H2 | N1 | C5 | H3 | 111.7° | 119.9° |
| H2 | N1 | C5 | H4 | 128.1° | 120.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 119.9° | 119.9° |
| H11 | C13 | C12 | H12 | 0.2° | 0.3° |
| H14 | C9 | C10 | H15 | 0.1° | 0.0° |
