8ZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| F1 | C9 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| N2 | C3 | sing | 1.39Å | 1.41Å | |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C6 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.47Å | |
| C5 | O2 | doub | 1.22Å | 1.23Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C12 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 118.1° | 120.1° |
| C8 | C7 | C6 | 121.1° | 119.9° |
| C8 | C7 | H7 | 119.4° | 120.1° |
| C7 | C8 | H8 | 120.9° | 120.0° |
| C8 | C9 | F1 | 119.6° | 119.9° |
| C8 | C9 | C10 | 122.7° | 120.2° |
| C9 | C8 | H8 | 120.9° | 119.9° |
| C7 | C6 | C5 | 122.9° | 120.1° |
| C7 | C6 | C11 | 118.4° | 119.8° |
| C6 | C7 | H7 | 119.5° | 120.1° |
| F1 | C9 | C10 | 117.7° | 119.9° |
| C9 | C10 | C11 | 118.4° | 120.1° |
| C9 | C10 | H1 | 120.8° | 119.9° |
| N2 | C3 | C2 | 124.9° | 126.3° |
| N2 | C3 | C4 | 127.3° | 126.4° |
| C3 | N2 | H11 | 109.5° | 120.0° |
| C3 | N2 | H12 | 109.5° | 120.0° |
| O1 | C1 | N1 | 123.2° | 120.0° |
| O1 | C1 | C2 | 120.0° | 120.0° |
| N1 | C1 | C2 | 116.8° | 120.0° |
| C1 | N1 | H9 | 120.0° | 120.0° |
| C1 | N1 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | 124.8° | 126.5° |
| C1 | C2 | C16 | 126.8° | 126.4° |
| C2 | C3 | C4 | 107.9° | 107.3° |
| C3 | C2 | C16 | 108.3° | 107.1° |
| C3 | C4 | C5 | 129.2° | 125.7° |
| C3 | C4 | N3 | 106.8° | 108.5° |
| C5 | C6 | C11 | 118.6° | 120.1° |
| C6 | C5 | C4 | 118.7° | 120.0° |
| C6 | C5 | O2 | 119.4° | 120.0° |
| C6 | C11 | C10 | 121.3° | 119.9° |
| C6 | C11 | H2 | 119.4° | 120.1° |
| C2 | C16 | N3 | 107.7° | 108.3° |
| C2 | C16 | C15 | 133.5° | 131.7° |
| C4 | C5 | O2 | 121.7° | 120.0° |
| C5 | C4 | N3 | 123.9° | 125.8° |
| C11 | C10 | H1 | 120.8° | 119.9° |
| C10 | C11 | H2 | 119.4° | 120.0° |
| C4 | N3 | C16 | 109.2° | 108.8° |
| C4 | N3 | C12 | 130.3° | 131.0° |
| N3 | C16 | C15 | 118.8° | 120.0° |
| C16 | N3 | C12 | 120.5° | 120.2° |
| C16 | C15 | C14 | 120.3° | 119.4° |
| C16 | C15 | H6 | 119.8° | 120.2° |
| N3 | C12 | C13 | 120.1° | 120.8° |
| N3 | C12 | H3 | 119.9° | 119.6° |
| C15 | C14 | C13 | 119.6° | 119.4° |
| C15 | C14 | H5 | 120.2° | 120.3° |
| C14 | C15 | H6 | 119.9° | 120.4° |
| C12 | C13 | C14 | 120.7° | 120.2° |
| C13 | C12 | H3 | 120.0° | 119.6° |
| C12 | C13 | H4 | 119.6° | 119.9° |
| C14 | C13 | H4 | 119.7° | 119.9° |
| C13 | C14 | H5 | 120.2° | 120.3° |
| H9 | N1 | H10 | 120.0° | 120.0° |
| H11 | N2 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | F1 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.5° |
| C8 | C7 | C6 | C5 | 179.3° | 180.0° |
| C8 | C7 | C6 | C11 | 1.0° | 0.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.2° |
| C8 | C9 | F1 | C10 | 179.8° | 179.5° |
| C8 | C9 | C10 | C11 | 0.5° | 0.5° |
| C8 | C9 | C10 | H1 | 179.5° | 179.8° |
| C9 | C8 | C7 | H7 | 179.7° | 179.8° |
| C7 | C6 | C5 | C11 | 178.3° | 180.0° |
| C7 | C6 | C5 | C4 | 119.5° | 5.4° |
| C7 | C6 | C5 | O2 | 64.8° | 174.5° |
| C7 | C6 | C11 | C10 | 1.5° | 0.0° |
| C7 | C6 | C11 | H2 | 178.4° | 180.0° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| F1 | C9 | C10 | C11 | 179.3° | 180.0° |
| F1 | C9 | C10 | H1 | 0.7° | 0.3° |
| F1 | C9 | C8 | H8 | 0.2° | 0.2° |
| C9 | C10 | C11 | C6 | 1.3° | 0.3° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C9 | C10 | C11 | H2 | 178.7° | 179.7° |
| C10 | C9 | C8 | H8 | 180.0° | 179.7° |
| N2 | C3 | C2 | C1 | 0.3° | 0.0° |
| N2 | C3 | C2 | C4 | 179.8° | 180.0° |
| N2 | C3 | C2 | C16 | 179.8° | 180.0° |
| N2 | C3 | C4 | C5 | 0.5° | 0.0° |
| N2 | C3 | C4 | N3 | 179.7° | 180.0° |
| C3 | N2 | H11 | H12 | 120.0° | 180.0° |
| O1 | C1 | N1 | C2 | 179.0° | 179.6° |
| O1 | C1 | C2 | C3 | 5.1° | 90.4° |
| O1 | C1 | C2 | C16 | 174.8° | 89.7° |
| O1 | C1 | N1 | H9 | 0.0° | 179.7° |
| O1 | C1 | N1 | H10 | 180.0° | 0.4° |
| N1 | C1 | C2 | C3 | 175.8° | 90.0° |
| N1 | C1 | C2 | C16 | 4.3° | 90.0° |
| C1 | N1 | H9 | H10 | 180.0° | 179.9° |
| C1 | C2 | C3 | C16 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C16 | N3 | 180.0° | 180.0° |
| C1 | C2 | C16 | C15 | 0.5° | 0.7° |
| C2 | C1 | N1 | H9 | 179.0° | 0.1° |
| C2 | C1 | N1 | H10 | 1.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C2 | C3 | C4 | N3 | 0.1° | 0.0° |
| C3 | C2 | C16 | N3 | 0.1° | 0.0° |
| C3 | C2 | C16 | C15 | 179.6° | 179.4° |
| C2 | C3 | N2 | H11 | 180.0° | 5.0° |
| C2 | C3 | N2 | H12 | 60.0° | 174.9° |
| C3 | C4 | C5 | C6 | 9.3° | 94.3° |
| C4 | C3 | C2 | C16 | 0.0° | 0.0° |
| C3 | C4 | C5 | N3 | 179.7° | 180.0° |
| C3 | C4 | C5 | O2 | 175.1° | 85.7° |
| C3 | C4 | N3 | C16 | 0.1° | 0.0° |
| C3 | C4 | N3 | C12 | 179.1° | 180.0° |
| C4 | C3 | N2 | H11 | 0.3° | 174.9° |
| C4 | C3 | N2 | H12 | 120.3° | 5.1° |
| C6 | C5 | C4 | O2 | 175.6° | 180.0° |
| C5 | C6 | C11 | C10 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 170.4° | 85.7° |
| C5 | C6 | C11 | H2 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 0.7° | 0.0° |
| C11 | C6 | C5 | C4 | 62.2° | 174.6° |
| C11 | C6 | C5 | O2 | 113.5° | 5.5° |
| C6 | C11 | C10 | H2 | 180.0° | 180.0° |
| C6 | C11 | C10 | H1 | 178.8° | 180.0° |
| C11 | C6 | C7 | H7 | 178.9° | 180.0° |
| C2 | C16 | N3 | C4 | 0.1° | 0.0° |
| C2 | C16 | N3 | C15 | 179.6° | 179.4° |
| C2 | C16 | N3 | C12 | 179.2° | 180.0° |
| C2 | C16 | C15 | C14 | 179.6° | 179.6° |
| C2 | C16 | C15 | H6 | 0.4° | 0.5° |
| C5 | C4 | N3 | C16 | 179.7° | 180.0° |
| C5 | C4 | N3 | C12 | 1.1° | 0.0° |
| O2 | C5 | C4 | N3 | 5.2° | 94.3° |
| C4 | N3 | C16 | C12 | 179.3° | 180.0° |
| C4 | N3 | C16 | C15 | 179.7° | 179.4° |
| C4 | N3 | C12 | C13 | 179.9° | 179.4° |
| C4 | N3 | C12 | H3 | 0.1° | 0.2° |
| N3 | C16 | C15 | C14 | 0.2° | 0.3° |
| C16 | N3 | C12 | C13 | 0.8° | 0.6° |
| C16 | N3 | C12 | H3 | 179.2° | 179.8° |
| N3 | C16 | C15 | H6 | 179.9° | 179.8° |
| C15 | C16 | N3 | C12 | 0.4° | 0.6° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H5 | 179.6° | 180.0° |
| N3 | C12 | C13 | H3 | 180.0° | 179.6° |
| N3 | C12 | C13 | C14 | 0.5° | 0.3° |
| N3 | C12 | C13 | H4 | 179.5° | 179.7° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | H4 | 179.9° | 180.0° |
| C12 | C13 | C14 | H4 | 180.0° | 179.9° |
| C12 | C13 | C14 | H5 | 179.9° | 180.0° |
| C14 | C13 | C12 | H3 | 179.5° | 180.0° |
| C13 | C14 | C15 | H6 | 179.6° | 180.0° |
| H1 | C10 | C11 | H2 | 1.3° | 0.1° |
| H3 | C12 | C13 | H4 | 0.5° | 0.1° |
| H4 | C13 | C14 | H5 | 0.0° | 0.1° |
| H5 | C14 | C15 | H6 | 0.4° | 0.1° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
