J9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | N21 | sing | 1.35Å | 1.38Å | |
| C19 | N11 | sing | 1.35Å | 1.38Å | |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| N21 | C23 | sing | 1.39Å | 1.39Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C13 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.44Å | |
| N11 | C10 | sing | 1.39Å | 1.39Å | |
| C23 | C10 | doub | 1.40Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| C24 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| N9 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.34Å | |
| C27 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | N6 | sing | 1.40Å | 1.40Å | |
| F1 | C2 | sing | 1.35Å | 1.34Å | |
| C25 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N6 | sing | 1.40Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N21 | H13 | sing | 0.97Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | N21 | 126.8° | 125.1° |
| O20 | C19 | N11 | 126.9° | 125.2° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.1° |
| C14 | C15 | H3 | 120.0° | 120.1° |
| C15 | C14 | H8 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H3 | 119.9° | 120.0° |
| C15 | C16 | H9 | 120.0° | 120.0° |
| N21 | C19 | N11 | 106.3° | 109.7° |
| C19 | N21 | C23 | 107.5° | 108.2° |
| C19 | N21 | H13 | 126.2° | 125.9° |
| C19 | N11 | C12 | 126.4° | 125.7° |
| C19 | N11 | C10 | 110.7° | 108.5° |
| C14 | C13 | C12 | 120.8° | 120.0° |
| C14 | C13 | C18 | 119.8° | 120.0° |
| C13 | C14 | H8 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H4 | 120.1° | 120.0° |
| C17 | C16 | H9 | 120.0° | 120.0° |
| N21 | C23 | C10 | 109.9° | 107.0° |
| N21 | C23 | C24 | 128.9° | 133.6° |
| C23 | N21 | H13 | 126.2° | 125.9° |
| C12 | C13 | C18 | 119.5° | 120.0° |
| C13 | C12 | N11 | 112.6° | 109.5° |
| C13 | C12 | H6 | 108.7° | 109.5° |
| C13 | C12 | H7 | 108.7° | 109.5° |
| C13 | C18 | C17 | 120.3° | 120.0° |
| C13 | C18 | H10 | 119.9° | 120.0° |
| C18 | C17 | H4 | 120.1° | 120.0° |
| C17 | C18 | H10 | 119.8° | 120.0° |
| C12 | N11 | C10 | 122.9° | 125.8° |
| N11 | C12 | H6 | 108.7° | 109.5° |
| N11 | C12 | H7 | 108.7° | 109.4° |
| N11 | C10 | C23 | 105.6° | 106.6° |
| N11 | C10 | N9 | 128.5° | 132.9° |
| C10 | C23 | C24 | 121.2° | 119.4° |
| C23 | C10 | N9 | 125.9° | 120.5° |
| C23 | C24 | C7 | 115.2° | 118.2° |
| C23 | C24 | H5 | 122.4° | 120.9° |
| C10 | N9 | C8 | 111.9° | 121.7° |
| C24 | C7 | C8 | 119.1° | 119.1° |
| C24 | C7 | N6 | 121.1° | 120.5° |
| C7 | C24 | H5 | 122.4° | 120.9° |
| N9 | C8 | C7 | 126.8° | 121.1° |
| N9 | C8 | H2 | 116.6° | 119.5° |
| F26 | C25 | C27 | 119.4° | 120.0° |
| F26 | C25 | C5 | 119.4° | 120.0° |
| C25 | C27 | C2 | 119.0° | 120.0° |
| C27 | C25 | C5 | 121.2° | 120.0° |
| C25 | C27 | H11 | 120.5° | 120.1° |
| C27 | C2 | F1 | 119.7° | 120.0° |
| C27 | C2 | C3 | 120.6° | 120.1° |
| C2 | C27 | H11 | 120.5° | 119.9° |
| C8 | C7 | N6 | 119.9° | 120.4° |
| C7 | C8 | H2 | 116.6° | 119.4° |
| C7 | N6 | C5 | 120.8° | 120.0° |
| C7 | N6 | H14 | 119.6° | 120.0° |
| F1 | C2 | C3 | 119.7° | 119.9° |
| C25 | C5 | N6 | 120.4° | 120.1° |
| C25 | C5 | C4 | 119.1° | 119.9° |
| C2 | C3 | C4 | 119.6° | 120.1° |
| C2 | C3 | H12 | 120.2° | 120.0° |
| N6 | C5 | C4 | 120.5° | 120.0° |
| C5 | N6 | H14 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.4° | 119.9° |
| C5 | C4 | H1 | 119.8° | 120.1° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C4 | C3 | H12 | 120.2° | 119.9° |
| H6 | C12 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | N21 | N11 | 180.0° | 179.6° |
| O20 | C19 | N21 | C23 | 179.9° | 180.0° |
| O20 | C19 | N11 | C12 | 0.5° | 0.4° |
| O20 | C19 | N11 | C10 | 179.8° | 179.7° |
| O20 | C19 | N21 | H13 | 0.1° | 0.0° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.2° |
| C15 | C14 | C13 | C12 | 179.9° | 180.0° |
| C15 | C14 | C13 | C18 | 0.0° | 0.3° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C15 | C16 | C17 | H9 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C15 | C16 | C17 | H4 | 180.0° | 179.7° |
| C16 | C15 | C14 | H8 | 180.0° | 180.0° |
| C19 | N21 | C23 | H13 | 180.0° | 180.0° |
| N21 | C19 | N11 | C12 | 179.5° | 180.0° |
| N21 | C19 | N11 | C10 | 0.2° | 0.7° |
| C19 | N21 | C23 | C10 | 0.0° | 0.0° |
| C19 | N21 | C23 | C24 | 180.0° | 179.7° |
| N11 | C19 | N21 | C23 | 0.1° | 0.4° |
| C19 | N11 | C12 | C13 | 84.2° | 90.0° |
| C19 | N11 | C12 | C10 | 179.2° | 179.2° |
| C19 | N11 | C10 | C23 | 0.2° | 0.7° |
| C19 | N11 | C10 | N9 | 179.9° | 179.8° |
| C19 | N11 | C12 | H6 | 155.3° | 30.1° |
| C19 | N11 | C12 | H7 | 36.3° | 150.0° |
| N11 | C19 | N21 | H13 | 179.9° | 179.6° |
| C14 | C13 | C12 | C18 | 179.9° | 179.7° |
| C14 | C13 | C18 | C17 | 0.0° | 0.3° |
| C14 | C13 | C12 | N11 | 24.3° | 89.7° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | H6 | 144.8° | 30.4° |
| C14 | C13 | C12 | H7 | 96.1° | 150.3° |
| C14 | C13 | C18 | H10 | 180.0° | 179.7° |
| C16 | C17 | C18 | C13 | 0.0° | 0.0° |
| C16 | C17 | C18 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 180.0° | 179.7° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| N21 | C23 | C10 | N11 | 0.1° | 0.5° |
| N21 | C23 | C10 | C24 | 180.0° | 179.7° |
| N21 | C23 | C10 | N9 | 180.0° | 180.0° |
| N21 | C23 | C24 | C7 | 180.0° | 179.6° |
| N21 | C23 | C24 | H5 | 0.0° | 0.4° |
| C12 | C13 | C18 | C17 | 179.9° | 180.0° |
| C13 | C12 | N11 | H6 | 120.5° | 120.1° |
| C13 | C12 | N11 | H7 | 120.5° | 120.0° |
| C13 | C12 | N11 | C10 | 96.6° | 90.8° |
| C13 | C12 | H6 | H7 | 118.6° | 120.0° |
| C12 | C13 | C14 | H8 | 0.2° | 0.1° |
| C12 | C13 | C18 | H10 | 0.1° | 0.0° |
| C13 | C18 | C17 | H10 | 180.0° | 180.0° |
| C18 | C13 | C12 | N11 | 155.8° | 90.0° |
| C13 | C18 | C17 | H4 | 180.0° | 180.0° |
| C18 | C13 | C12 | H6 | 35.3° | 149.9° |
| C18 | C13 | C12 | H7 | 83.8° | 30.0° |
| C18 | C13 | C14 | H8 | 179.9° | 179.8° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C12 | N11 | C10 | C23 | 179.5° | 180.0° |
| C12 | N11 | C10 | N9 | 0.6° | 0.5° |
| N11 | C12 | H6 | H7 | 118.6° | 120.0° |
| N11 | C10 | C23 | N9 | 179.9° | 179.5° |
| N11 | C10 | C23 | C24 | 179.9° | 179.8° |
| N11 | C10 | N9 | C8 | 179.8° | 180.0° |
| C10 | N11 | C12 | H6 | 23.9° | 149.1° |
| C10 | N11 | C12 | H7 | 142.9° | 29.2° |
| C10 | C23 | C24 | C7 | 0.0° | 0.0° |
| C23 | C10 | N9 | C8 | 0.1° | 0.6° |
| C10 | C23 | C24 | H5 | 180.0° | 180.0° |
| C10 | C23 | N21 | H13 | 180.0° | 180.0° |
| C24 | C23 | C10 | N9 | 0.0° | 0.3° |
| C23 | C24 | C7 | H5 | 180.0° | 180.0° |
| C23 | C24 | C7 | C8 | 0.0° | 0.0° |
| C23 | C24 | C7 | N6 | 179.9° | 179.8° |
| C24 | C23 | N21 | H13 | 0.0° | 0.3° |
| C10 | N9 | C8 | C7 | 0.1° | 0.6° |
| C10 | N9 | C8 | H2 | 179.9° | 179.5° |
| C24 | C7 | C8 | N9 | 0.1° | 0.3° |
| C24 | C7 | C8 | N6 | 179.9° | 179.8° |
| C24 | C7 | N6 | C5 | 20.3° | 41.8° |
| C24 | C7 | C8 | H2 | 179.9° | 179.8° |
| C24 | C7 | N6 | H14 | 159.7° | 138.1° |
| N9 | C8 | C7 | H2 | 180.0° | 180.0° |
| N9 | C8 | C7 | N6 | 180.0° | 180.0° |
| F26 | C25 | C27 | C5 | 180.0° | 180.0° |
| F26 | C25 | C27 | C2 | 180.0° | 179.9° |
| F26 | C25 | C5 | N6 | 0.3° | 0.1° |
| F26 | C25 | C5 | C4 | 179.9° | 180.0° |
| F26 | C25 | C27 | H11 | 0.0° | 0.0° |
| C25 | C27 | C2 | H11 | 180.0° | 180.0° |
| C25 | C27 | C2 | F1 | 179.9° | 179.8° |
| C25 | C27 | C2 | C3 | 0.1° | 0.3° |
| C27 | C25 | C5 | N6 | 179.8° | 180.0° |
| C27 | C25 | C5 | C4 | 0.1° | 0.0° |
| C27 | C2 | F1 | C3 | 180.0° | 179.4° |
| C2 | C27 | C25 | C5 | 0.0° | 0.0° |
| C27 | C2 | C3 | C4 | 0.0° | 0.6° |
| C27 | C2 | C3 | H12 | 180.0° | 180.0° |
| C8 | C7 | N6 | C5 | 159.7° | 138.4° |
| C8 | C7 | C24 | H5 | 180.0° | 180.0° |
| C8 | C7 | N6 | H14 | 20.2° | 41.6° |
| C7 | N6 | C5 | C25 | 85.9° | 172.4° |
| C7 | N6 | C5 | H14 | 180.0° | 179.9° |
| C7 | N6 | C5 | C4 | 94.5° | 7.6° |
| N6 | C7 | C8 | H2 | 0.0° | 0.0° |
| N6 | C7 | C24 | H5 | 0.0° | 0.2° |
| F1 | C2 | C3 | C4 | 180.0° | 180.0° |
| F1 | C2 | C27 | H11 | 0.1° | 0.3° |
| F1 | C2 | C3 | H12 | 0.0° | 0.6° |
| C25 | C5 | N6 | C4 | 179.6° | 180.0° |
| C25 | C5 | C4 | C3 | 0.2° | 0.3° |
| C25 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C25 | C27 | H11 | 180.0° | 180.0° |
| C25 | C5 | N6 | H14 | 94.1° | 7.5° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | C4 | H12 | 180.0° | 179.4° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C3 | C2 | C27 | H11 | 179.9° | 179.7° |
| N6 | C5 | C4 | C3 | 179.8° | 179.7° |
| N6 | C5 | C4 | H1 | 0.2° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | H12 | 179.9° | 180.0° |
| C4 | C5 | N6 | H14 | 85.5° | 172.5° |
| H1 | C4 | C3 | H12 | 0.1° | 0.3° |
| H3 | C15 | C14 | H8 | 0.1° | 0.0° |
| H3 | C15 | C16 | H9 | 0.0° | 0.0° |
| H4 | C17 | C16 | H9 | 0.1° | 0.0° |
| H4 | C17 | C18 | H10 | 0.0° | 0.0° |
