6GA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N1 | sing | 1.42Å | 1.40Å | |
| O15 | C12 | doub | 1.21Å | 1.21Å | |
| N1 | C12 | sing | 1.35Å | 1.32Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C16 | C11 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C11 | C9 | sing | 1.51Å | 1.52Å | |
| O10 | C9 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | N8 | sing | 1.35Å | 1.27Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| N8 | C1 | sing | 1.46Å | 1.47Å | |
| C20 | F29 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N1 | C12 | 118.5° | 120.0° |
| O2 | N1 | H16 | 120.7° | 120.0° |
| N1 | O2 | H17 | 109.5° | 114.0° |
| O15 | C12 | N1 | 120.7° | 120.0° |
| O15 | C12 | C11 | 120.0° | 120.0° |
| N1 | C12 | C11 | 119.4° | 120.0° |
| C12 | N1 | H16 | 120.8° | 119.9° |
| C12 | C11 | C16 | 107.1° | 109.5° |
| C12 | C11 | C9 | 110.3° | 109.5° |
| C12 | C11 | H1 | 108.9° | 109.4° |
| C11 | C16 | C17 | 113.6° | 109.5° |
| C16 | C11 | C9 | 113.4° | 109.5° |
| C16 | C11 | H1 | 108.5° | 109.5° |
| C11 | C16 | H2 | 108.4° | 109.5° |
| C11 | C16 | H3 | 108.4° | 109.5° |
| C16 | C17 | C18 | 121.9° | 120.0° |
| C16 | C17 | C22 | 120.0° | 119.9° |
| C17 | C16 | H2 | 108.4° | 109.5° |
| C17 | C16 | H3 | 108.4° | 109.5° |
| C11 | C9 | O10 | 120.6° | 120.0° |
| C11 | C9 | N8 | 118.9° | 120.0° |
| C9 | C11 | H1 | 108.6° | 109.5° |
| O10 | C9 | N8 | 120.6° | 120.0° |
| C18 | C17 | C22 | 118.0° | 120.1° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C17 | C18 | H4 | 120.1° | 120.0° |
| C17 | C22 | C21 | 122.4° | 120.0° |
| C17 | C22 | H6 | 118.8° | 120.0° |
| C9 | N8 | C1 | 126.5° | 120.0° |
| C9 | N8 | H8 | 116.7° | 119.9° |
| C18 | C19 | C20 | 122.0° | 120.0° |
| C19 | C18 | H4 | 120.1° | 120.0° |
| C18 | C19 | H5 | 119.0° | 120.0° |
| C22 | C21 | C20 | 119.2° | 120.0° |
| C21 | C22 | H6 | 118.8° | 120.0° |
| C22 | C21 | H7 | 120.4° | 120.1° |
| C19 | C20 | C21 | 118.5° | 119.9° |
| C19 | C20 | F29 | 120.8° | 120.0° |
| C20 | C19 | H5 | 119.0° | 120.1° |
| C21 | C20 | F29 | 120.8° | 120.1° |
| C20 | C21 | H7 | 120.4° | 120.0° |
| N8 | C1 | C2 | 108.0° | 109.5° |
| C1 | N8 | H8 | 116.7° | 120.1° |
| N8 | C1 | H9 | 109.8° | 109.5° |
| N8 | C1 | H10 | 109.8° | 109.4° |
| C1 | C2 | C7 | 119.2° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | H9 | 109.9° | 109.5° |
| C2 | C1 | H10 | 109.8° | 109.5° |
| C2 | C7 | C6 | 120.4° | 120.0° |
| C7 | C2 | C3 | 120.8° | 120.0° |
| C2 | C7 | H15 | 119.8° | 119.9° |
| C7 | C6 | C5 | 119.0° | 120.0° |
| C7 | C6 | H14 | 120.5° | 120.0° |
| C6 | C7 | H15 | 119.8° | 120.1° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C2 | C3 | H11 | 120.6° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C6 | C5 | H13 | 119.8° | 120.0° |
| C5 | C6 | H14 | 120.5° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H11 | 120.5° | 120.0° |
| C3 | C4 | H12 | 119.8° | 120.0° |
| C5 | C4 | H12 | 119.8° | 120.0° |
| C4 | C5 | H13 | 119.8° | 120.0° |
| H2 | C16 | H3 | 109.4° | 109.4° |
| H9 | C1 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N1 | C12 | O15 | 2.2° | 5.2° |
| O2 | N1 | C12 | H16 | 180.0° | 180.0° |
| O2 | N1 | C12 | C11 | 176.5° | 174.8° |
| O15 | C12 | N1 | C11 | 178.7° | 180.0° |
| O15 | C12 | C11 | C16 | 55.2° | 84.4° |
| O15 | C12 | C11 | C9 | 68.6° | 35.6° |
| O15 | C12 | C11 | H1 | 172.3° | 155.6° |
| O15 | C12 | N1 | H16 | 177.7° | 174.8° |
| N1 | C12 | C11 | C16 | 126.1° | 95.6° |
| N1 | C12 | C11 | C9 | 110.1° | 144.4° |
| N1 | C12 | C11 | H1 | 9.0° | 24.4° |
| C12 | N1 | O2 | H17 | 1.1° | 180.0° |
| C12 | C11 | C16 | C9 | 121.9° | 120.0° |
| C12 | C11 | C16 | H1 | 117.4° | 120.0° |
| C12 | C11 | C16 | C17 | 99.7° | 172.8° |
| C12 | C11 | C9 | H1 | 119.3° | 120.0° |
| C12 | C11 | C9 | O10 | 24.8° | 120.0° |
| C12 | C11 | C9 | N8 | 155.8° | 60.3° |
| C12 | C11 | C16 | H2 | 21.0° | 52.8° |
| C12 | C11 | C16 | H3 | 139.7° | 67.1° |
| C11 | C12 | N1 | H16 | 3.6° | 5.2° |
| C11 | C16 | C17 | H2 | 120.6° | 120.0° |
| C11 | C16 | C17 | H3 | 120.6° | 120.0° |
| C16 | C11 | C9 | H1 | 120.6° | 120.0° |
| C16 | C11 | C9 | O10 | 144.8° | 0.0° |
| C11 | C16 | C17 | C18 | 18.1° | 82.7° |
| C11 | C16 | C17 | C22 | 162.4° | 97.5° |
| C16 | C11 | C9 | N8 | 35.8° | 179.7° |
| C11 | C16 | H2 | H3 | 118.1° | 120.0° |
| C17 | C16 | C11 | C9 | 138.5° | 67.2° |
| C16 | C17 | C18 | C22 | 179.5° | 179.7° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C16 | C17 | C22 | C21 | 179.6° | 180.0° |
| C17 | C16 | C11 | H1 | 17.7° | 52.9° |
| C17 | C16 | H2 | H3 | 118.1° | 120.0° |
| C16 | C17 | C18 | H4 | 0.4° | 0.0° |
| C16 | C17 | C22 | H6 | 0.4° | 0.0° |
| C11 | C9 | O10 | N8 | 179.4° | 179.7° |
| C11 | C9 | N8 | C1 | 179.2° | 179.7° |
| C9 | C11 | C16 | H2 | 100.9° | 172.8° |
| C9 | C11 | C16 | H3 | 17.9° | 52.9° |
| C11 | C9 | N8 | H8 | 0.8° | 0.3° |
| O10 | C9 | N8 | C1 | 1.4° | 0.0° |
| O10 | C9 | C11 | H1 | 94.5° | 120.0° |
| O10 | C9 | N8 | H8 | 178.6° | 180.0° |
| C17 | C18 | C19 | H4 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.9° | 0.2° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C17 | C16 | H2 | 102.5° | 37.3° |
| C18 | C17 | C16 | H3 | 138.7° | 157.2° |
| C17 | C18 | C19 | H5 | 179.5° | 179.9° |
| C18 | C17 | C22 | H6 | 179.1° | 179.7° |
| C22 | C17 | C18 | C19 | 0.9° | 0.3° |
| C17 | C22 | C21 | H6 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C17 | C16 | H2 | 76.9° | 142.5° |
| C22 | C17 | C16 | H3 | 41.8° | 22.5° |
| C22 | C17 | C18 | H4 | 179.1° | 179.8° |
| C17 | C22 | C21 | H7 | 179.5° | 180.0° |
| C9 | N8 | C1 | H8 | 180.0° | 180.0° |
| C9 | N8 | C1 | C2 | 177.6° | 180.0° |
| N8 | C9 | C11 | H1 | 84.9° | 59.7° |
| C9 | N8 | C1 | H9 | 57.8° | 60.0° |
| C9 | N8 | C1 | H10 | 62.6° | 60.0° |
| C18 | C19 | C20 | H5 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C18 | C19 | C20 | F29 | 179.8° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.3° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C22 | C21 | C20 | F29 | 179.8° | 180.0° |
| C19 | C20 | C21 | F29 | 179.7° | 179.7° |
| C20 | C19 | C18 | H4 | 179.5° | 180.0° |
| C19 | C20 | C21 | H7 | 179.9° | 179.7° |
| C21 | C20 | C19 | H5 | 179.9° | 179.8° |
| C20 | C21 | C22 | H6 | 179.5° | 180.0° |
| N8 | C1 | C2 | H9 | 119.8° | 120.1° |
| N8 | C1 | C2 | H10 | 119.8° | 120.0° |
| N8 | C1 | C2 | C7 | 18.3° | 90.2° |
| N8 | C1 | C2 | C3 | 160.4° | 90.0° |
| N8 | C1 | H9 | H10 | 120.7° | 120.0° |
| F29 | C20 | C19 | H5 | 0.2° | 0.0° |
| F29 | C20 | C21 | H7 | 0.2° | 0.0° |
| C1 | C2 | C7 | C3 | 178.7° | 179.8° |
| C1 | C2 | C7 | C6 | 178.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.4° | 180.0° |
| C2 | C1 | N8 | H8 | 2.4° | 0.0° |
| C2 | C1 | H9 | H10 | 120.7° | 120.0° |
| C1 | C2 | C3 | H11 | 0.6° | 0.0° |
| C1 | C2 | C7 | H15 | 1.1° | 0.0° |
| C2 | C7 | C6 | H15 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.3° | 0.5° |
| C7 | C2 | C3 | C4 | 0.7° | 0.2° |
| C7 | C2 | C1 | H9 | 101.5° | 149.7° |
| C7 | C2 | C1 | H10 | 138.0° | 29.7° |
| C7 | C2 | C3 | H11 | 179.3° | 179.7° |
| C2 | C7 | C6 | H14 | 179.7° | 179.7° |
| C6 | C7 | C2 | C3 | 0.2° | 0.5° |
| C7 | C6 | C5 | H14 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.3° | 0.2° |
| C7 | C6 | C5 | H13 | 179.7° | 179.7° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C1 | H9 | 79.8° | 30.1° |
| C3 | C2 | C1 | H10 | 40.7° | 150.0° |
| C2 | C3 | C4 | H12 | 179.3° | 180.0° |
| C3 | C2 | C7 | H15 | 179.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | H13 | 180.0° | 180.0° |
| C6 | C5 | C4 | H12 | 179.8° | 180.0° |
| C5 | C6 | C7 | H15 | 179.7° | 179.7° |
| C3 | C4 | C5 | H12 | 180.0° | 180.0° |
| C3 | C4 | C5 | H13 | 179.8° | 180.0° |
| C5 | C4 | C3 | H11 | 179.3° | 180.0° |
| C4 | C5 | C6 | H14 | 179.7° | 180.0° |
| H1 | C11 | C16 | H2 | 138.4° | 67.1° |
| H1 | C11 | C16 | H3 | 102.9° | 172.9° |
| H4 | C18 | C19 | H5 | 0.5° | 0.0° |
| H6 | C22 | C21 | H7 | 0.5° | 0.0° |
| H8 | N8 | C1 | H9 | 122.2° | 120.0° |
| H8 | N8 | C1 | H10 | 117.3° | 120.0° |
| H11 | C3 | C4 | H12 | 0.7° | 0.1° |
| H12 | C4 | C5 | H13 | 0.2° | 0.0° |
| H13 | C5 | C6 | H14 | 0.3° | 0.0° |
| H14 | C6 | C7 | H15 | 0.3° | 0.0° |
| H16 | N1 | O2 | H17 | 178.9° | 0.0° |
