6L8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3' | N2' | doub | 1.32Å | 1.35Å | Aromatic |
| C3' | N1' | sing | 1.32Å | 1.34Å | Aromatic |
| F1 | C13 | sing | 1.40Å | 1.31Å | |
| N2' | C4' | sing | 1.32Å | 1.34Å | Aromatic |
| N1' | C2' | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | F2 | sing | 1.40Å | 1.32Å | |
| C13 | C10 | sing | 1.51Å | 1.50Å | |
| C13 | F3 | sing | 1.40Å | 1.32Å | |
| F4 | C12 | sing | 1.40Å | 1.32Å | |
| C4' | C1' | doub | 1.39Å | 1.39Å | Aromatic |
| F5 | C12 | sing | 1.40Å | 1.33Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C2' | C1' | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C8 | sing | 1.51Å | 1.50Å | |
| C12 | F6 | sing | 1.40Å | 1.31Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C1' | C2 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| N2 | C3 | sing | 1.46Å | 1.49Å | |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.08Å | 1.08Å | |
| C3' | H9 | sing | 1.08Å | 1.08Å | |
| C2' | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2' | C3' | N1' | 121.0° | 121.7° |
| C3' | N2' | C4' | 121.7° | 120.8° |
| N2' | C3' | H9 | 119.5° | 119.2° |
| C3' | N1' | C2' | 120.2° | 120.8° |
| N1' | C3' | H9 | 119.5° | 119.1° |
| F1 | C13 | F2 | 108.4° | 109.5° |
| F1 | C13 | C10 | 109.1° | 109.5° |
| F1 | C13 | F3 | 107.8° | 109.5° |
| N2' | C4' | C1' | 118.4° | 119.1° |
| N2' | C4' | H8 | 120.8° | 120.5° |
| N1' | C2' | C1' | 119.7° | 119.1° |
| N1' | C2' | H10 | 120.2° | 120.5° |
| F2 | C13 | C10 | 110.7° | 109.5° |
| F2 | C13 | F3 | 111.1° | 109.5° |
| C10 | C13 | F3 | 109.6° | 109.4° |
| C13 | C10 | C9 | 119.2° | 120.0° |
| C13 | C10 | C11 | 120.6° | 119.9° |
| F4 | C12 | F5 | 110.0° | 109.5° |
| F4 | C12 | C8 | 106.7° | 109.5° |
| F4 | C12 | F6 | 111.1° | 109.4° |
| C4' | C1' | C2' | 119.1° | 118.4° |
| C4' | C1' | C2 | 118.5° | 120.8° |
| C1' | C4' | H8 | 120.8° | 120.4° |
| F5 | C12 | C8 | 115.3° | 109.5° |
| F5 | C12 | F6 | 106.7° | 109.4° |
| C10 | C9 | C8 | 119.9° | 120.3° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C10 | C9 | H1 | 120.0° | 119.8° |
| C9 | C8 | C12 | 119.8° | 119.9° |
| C9 | C8 | C7 | 119.9° | 120.1° |
| C8 | C9 | H1 | 120.0° | 119.9° |
| C2' | C1' | C2 | 122.4° | 120.8° |
| C1' | C2' | H10 | 120.2° | 120.4° |
| C10 | C11 | C6 | 120.2° | 119.9° |
| C10 | C11 | H2 | 119.9° | 120.0° |
| C8 | C12 | F6 | 107.1° | 109.5° |
| C12 | C8 | C7 | 120.2° | 119.9° |
| C8 | C7 | C6 | 119.9° | 119.9° |
| C8 | C7 | H3 | 120.1° | 120.0° |
| C11 | C6 | C7 | 119.8° | 119.7° |
| C11 | C6 | C5 | 119.0° | 120.1° |
| C6 | C11 | H2 | 119.9° | 120.1° |
| C1' | C2 | C1 | 109.2° | 109.4° |
| C1' | C2 | C3 | 110.9° | 109.5° |
| C1' | C2 | H7 | 108.2° | 109.5° |
| C7 | C6 | C5 | 121.2° | 120.2° |
| C6 | C7 | H3 | 120.0° | 120.1° |
| C6 | C5 | N3 | 126.6° | 125.7° |
| C6 | C5 | N4 | 124.8° | 125.6° |
| N3 | C5 | N4 | 108.6° | 108.7° |
| C5 | N3 | C4 | 109.9° | 109.8° |
| C5 | N4 | N2 | 104.9° | 106.7° |
| N3 | C4 | N2 | 105.7° | 108.3° |
| N3 | C4 | H4 | 127.1° | 125.9° |
| N4 | N2 | C4 | 110.9° | 106.5° |
| N4 | N2 | C3 | 115.1° | 126.8° |
| C1 | C2 | C3 | 113.1° | 109.5° |
| C2 | C1 | O1 | 117.7° | 120.0° |
| C2 | C1 | N1 | 122.3° | 120.0° |
| C1 | C2 | H7 | 107.7° | 109.5° |
| C2 | C3 | N2 | 113.8° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.4° |
| C3 | C2 | H7 | 107.6° | 109.4° |
| C4 | N2 | C3 | 134.0° | 126.7° |
| N2 | C4 | H4 | 127.1° | 125.8° |
| O1 | C1 | N1 | 120.0° | 120.0° |
| C1 | N1 | H11 | 120.0° | 120.0° |
| C1 | N1 | H12 | 120.0° | 120.0° |
| N2 | C3 | H5 | 108.4° | 109.5° |
| N2 | C3 | H6 | 108.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H11 | N1 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2' | C3' | N1' | H9 | 180.0° | 180.0° |
| N2' | C3' | N1' | C2' | 0.2° | 0.3° |
| C3' | N2' | C4' | C1' | 0.2° | 0.1° |
| C3' | N2' | C4' | H8 | 179.8° | 180.0° |
| N1' | C3' | N2' | C4' | 0.3° | 0.0° |
| C3' | N1' | C2' | C1' | 0.0° | 0.5° |
| C3' | N1' | C2' | H10 | 180.0° | 180.0° |
| F1 | C13 | F2 | C10 | 119.6° | 120.0° |
| F1 | C13 | F2 | F3 | 118.3° | 120.0° |
| F1 | C13 | C10 | F3 | 117.9° | 120.0° |
| F1 | C13 | C10 | C9 | 97.2° | 120.0° |
| F1 | C13 | C10 | C11 | 82.6° | 60.0° |
| N2' | C4' | C1' | H8 | 180.0° | 179.9° |
| N2' | C4' | C1' | C2' | 0.1° | 0.4° |
| N2' | C4' | C1' | C2 | 179.7° | 180.0° |
| C4' | N2' | C3' | H9 | 179.7° | 180.0° |
| N1' | C2' | C1' | C4' | 0.0° | 0.6° |
| N1' | C2' | C1' | H10 | 180.0° | 179.5° |
| N1' | C2' | C1' | C2 | 179.6° | 179.8° |
| C2' | N1' | C3' | H9 | 179.8° | 179.7° |
| F2 | C13 | C10 | F3 | 123.0° | 120.0° |
| F2 | C13 | C10 | C9 | 22.0° | 0.0° |
| F2 | C13 | C10 | C11 | 158.3° | 179.9° |
| C13 | C10 | C9 | C11 | 179.7° | 180.0° |
| C13 | C10 | C9 | C8 | 180.0° | 180.0° |
| C13 | C10 | C11 | C6 | 179.9° | 180.0° |
| C13 | C10 | C9 | H1 | 0.0° | 0.4° |
| C13 | C10 | C11 | H2 | 0.1° | 0.0° |
| F3 | C13 | C10 | C9 | 145.0° | 120.0° |
| F3 | C13 | C10 | C11 | 35.3° | 60.0° |
| F4 | C12 | F5 | C8 | 120.7° | 120.1° |
| F4 | C12 | F5 | F6 | 120.6° | 119.9° |
| F4 | C12 | C8 | C9 | 117.7° | 120.0° |
| F4 | C12 | C8 | F6 | 119.1° | 120.0° |
| F4 | C12 | C8 | C7 | 61.6° | 59.9° |
| C4' | C1' | C2' | C2 | 179.7° | 179.7° |
| C4' | C1' | C2 | C1 | 122.1° | 120.1° |
| C4' | C1' | C2 | C3 | 112.7° | 120.0° |
| C4' | C1' | C2 | H7 | 5.1° | 0.0° |
| C4' | C1' | C2' | H10 | 180.0° | 180.0° |
| F5 | C12 | C8 | C9 | 4.7° | 120.0° |
| F5 | C12 | C8 | F6 | 118.5° | 120.0° |
| F5 | C12 | C8 | C7 | 176.0° | 60.1° |
| C10 | C9 | C8 | H1 | 180.0° | 179.7° |
| C10 | C9 | C8 | C12 | 179.5° | 179.9° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C9 | C10 | C11 | C6 | 0.4° | 0.1° |
| C9 | C10 | C11 | H2 | 179.6° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C12 | C7 | 179.3° | 179.9° |
| C9 | C8 | C12 | F6 | 123.2° | 0.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C9 | C8 | C7 | H3 | 179.6° | 180.0° |
| C2' | C1' | C2 | C1 | 57.6° | 60.3° |
| C2' | C1' | C2 | C3 | 67.7° | 59.7° |
| C2' | C1' | C2 | H7 | 174.6° | 179.7° |
| C2' | C1' | C4' | H8 | 179.9° | 179.8° |
| C10 | C11 | C6 | H2 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.5° | 0.0° |
| C10 | C11 | C6 | C5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H1 | 179.8° | 179.7° |
| C12 | C8 | C7 | C6 | 179.6° | 179.9° |
| C12 | C8 | C9 | H1 | 0.5° | 0.2° |
| C12 | C8 | C7 | H3 | 0.3° | 0.1° |
| F6 | C12 | C8 | C7 | 57.5° | 179.9° |
| C8 | C7 | C6 | C11 | 0.5° | 0.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 180.0° | 179.9° |
| C7 | C8 | C9 | H1 | 179.8° | 179.6° |
| C11 | C6 | C7 | C5 | 179.4° | 180.0° |
| C11 | C6 | C5 | N3 | 2.3° | 0.0° |
| C11 | C6 | C5 | N4 | 178.1° | 179.7° |
| C11 | C6 | C7 | H3 | 179.5° | 180.0° |
| C1' | C2 | C1 | C3 | 124.0° | 120.0° |
| C1' | C2 | C1 | H7 | 117.3° | 120.1° |
| C1' | C2 | C3 | H7 | 118.1° | 120.0° |
| C1' | C2 | C1 | O1 | 99.6° | 120.0° |
| C1' | C2 | C1 | N1 | 79.7° | 60.0° |
| C1' | C2 | C3 | N2 | 29.3° | 175.0° |
| C1' | C2 | C3 | H5 | 149.9° | 55.0° |
| C1' | C2 | C3 | H6 | 91.4° | 65.0° |
| C2 | C1' | C4' | H8 | 0.2° | 0.1° |
| C2 | C1' | C2' | H10 | 0.4° | 0.3° |
| C7 | C6 | C5 | N3 | 177.2° | 180.0° |
| C7 | C6 | C5 | N4 | 2.5° | 0.3° |
| C7 | C6 | C11 | H2 | 179.5° | 180.0° |
| C6 | C5 | N3 | N4 | 179.7° | 179.8° |
| C6 | C5 | N3 | C4 | 180.0° | 180.0° |
| C6 | C5 | N4 | N2 | 179.7° | 179.8° |
| C5 | C6 | C11 | H2 | 0.0° | 0.0° |
| C5 | C6 | C7 | H3 | 0.0° | 0.0° |
| N3 | C5 | N4 | N2 | 0.1° | 0.4° |
| C5 | N3 | C4 | N2 | 0.5° | 0.0° |
| C5 | N3 | C4 | H4 | 179.6° | 179.9° |
| N4 | C5 | N3 | C4 | 0.2° | 0.2° |
| C5 | N4 | N2 | C4 | 0.3° | 0.4° |
| C5 | N4 | N2 | C3 | 179.2° | 179.8° |
| N3 | C4 | N2 | N4 | 0.5° | 0.3° |
| N3 | C4 | N2 | H4 | 180.0° | 179.9° |
| N3 | C4 | N2 | C3 | 179.1° | 180.0° |
| N4 | N2 | C3 | C2 | 111.2° | 54.7° |
| N4 | N2 | C4 | C3 | 178.6° | 179.8° |
| N4 | N2 | C4 | H4 | 179.5° | 179.7° |
| N4 | N2 | C3 | H5 | 128.2° | 65.3° |
| N4 | N2 | C3 | H6 | 9.5° | 174.7° |
| C1 | C2 | C3 | H7 | 118.8° | 120.0° |
| C2 | C1 | O1 | N1 | 179.3° | 180.0° |
| C1 | C2 | C3 | N2 | 152.3° | 65.0° |
| C1 | C2 | C3 | H5 | 87.0° | 175.0° |
| C1 | C2 | C3 | H6 | 31.7° | 55.0° |
| C2 | C1 | N1 | H11 | 179.3° | 0.0° |
| C2 | C1 | N1 | H12 | 0.7° | 180.0° |
| C2 | C3 | N2 | C4 | 70.3° | 125.0° |
| C3 | C2 | C1 | O1 | 136.4° | 0.0° |
| C3 | C2 | C1 | N1 | 44.3° | 180.0° |
| C2 | C3 | N2 | H5 | 120.6° | 120.0° |
| C2 | C3 | N2 | H6 | 120.7° | 120.0° |
| C2 | C3 | H5 | H6 | 118.0° | 120.0° |
| C4 | N2 | C3 | H5 | 50.3° | 115.0° |
| C4 | N2 | C3 | H6 | 169.1° | 5.1° |
| O1 | C1 | C2 | H7 | 17.7° | 120.0° |
| O1 | C1 | N1 | H11 | 0.0° | 180.0° |
| O1 | C1 | N1 | H12 | 180.0° | 0.0° |
| N1 | C1 | C2 | H7 | 163.0° | 60.0° |
| C1 | N1 | H11 | H12 | 180.0° | 180.0° |
| C3 | N2 | C4 | H4 | 0.9° | 0.1° |
| N2 | C3 | H5 | H6 | 118.0° | 120.0° |
| N2 | C3 | C2 | H7 | 88.9° | 55.0° |
| H5 | C3 | C2 | H7 | 31.8° | 65.0° |
| H6 | C3 | C2 | H7 | 150.5° | 175.0° |
