FYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C1 | N3 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.39Å | 1.40Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C18 | doub | 1.40Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.47Å | 1.44Å | |
| N2 | C7 | sing | 1.35Å | 1.37Å | |
| C7 | C8 | sing | 1.46Å | 1.48Å | |
| C7 | O2 | doub | 1.22Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | C10 | doub | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | F1 | sing | 1.35Å | 1.34Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N3 | sing | 1.39Å | 1.40Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | HA | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C9 | H93C | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 123.5° | 125.1° |
| O1 | C1 | N3 | 130.1° | 125.2° |
| N1 | C1 | N3 | 106.3° | 109.7° |
| C1 | N1 | C2 | 111.1° | 108.4° |
| C1 | N1 | H1 | 124.5° | 125.9° |
| C1 | N3 | C18 | 107.9° | 108.3° |
| C1 | N3 | H3 | 126.1° | 125.8° |
| N1 | C2 | C3 | 131.6° | 133.4° |
| N1 | C2 | C18 | 105.4° | 106.8° |
| C2 | N1 | H1 | 124.5° | 125.7° |
| C3 | C2 | C18 | 122.9° | 119.9° |
| C2 | C3 | C4 | 116.7° | 119.9° |
| C2 | C3 | HA | 121.7° | 120.1° |
| C2 | C18 | C17 | 121.0° | 119.9° |
| C2 | C18 | N3 | 109.3° | 106.8° |
| C3 | C4 | C5 | 121.1° | 120.2° |
| C4 | C3 | HA | 121.7° | 120.0° |
| C3 | C4 | H4 | 119.4° | 119.9° |
| C4 | C5 | C6 | 123.1° | 119.9° |
| C4 | C5 | C17 | 120.5° | 120.3° |
| C5 | C4 | H4 | 119.5° | 119.9° |
| C6 | C5 | C17 | 116.3° | 119.8° |
| C5 | C6 | N2 | 114.6° | 109.5° |
| C5 | C6 | H61C | 108.2° | 109.5° |
| C5 | C6 | H62C | 108.2° | 109.5° |
| C5 | C17 | C18 | 117.8° | 119.8° |
| C5 | C17 | H17 | 121.1° | 120.1° |
| C6 | N2 | C7 | 112.8° | 120.0° |
| N2 | C6 | H61C | 108.2° | 109.5° |
| N2 | C6 | H62C | 108.2° | 109.4° |
| C6 | N2 | H2 | 123.6° | 120.0° |
| N2 | C7 | C8 | 116.4° | 120.0° |
| N2 | C7 | O2 | 122.0° | 120.0° |
| C7 | N2 | H2 | 123.6° | 120.0° |
| C8 | C7 | O2 | 121.6° | 120.0° |
| C7 | C8 | C9 | 118.4° | 120.0° |
| C7 | C8 | C10 | 110.2° | 120.0° |
| C9 | C8 | C10 | 131.3° | 120.0° |
| C8 | C9 | H91C | 109.5° | 109.5° |
| C8 | C9 | H92C | 109.5° | 109.5° |
| C8 | C9 | H93C | 109.5° | 109.5° |
| C8 | C10 | C11 | 130.9° | 120.0° |
| C8 | C10 | H10 | 114.6° | 120.0° |
| C10 | C11 | C12 | 117.3° | 120.2° |
| C10 | C11 | C16 | 123.9° | 120.2° |
| C11 | C10 | H10 | 114.5° | 120.0° |
| C12 | C11 | C16 | 118.6° | 119.7° |
| C11 | C12 | C13 | 120.3° | 119.8° |
| C11 | C12 | H12 | 119.8° | 120.1° |
| C11 | C16 | C15 | 121.1° | 119.8° |
| C11 | C16 | F1 | 121.3° | 120.2° |
| C12 | C13 | C14 | 120.6° | 120.2° |
| C13 | C12 | H12 | 119.9° | 120.1° |
| C12 | C13 | H13 | 119.7° | 119.9° |
| C13 | C14 | C15 | 119.2° | 120.4° |
| C14 | C13 | H13 | 119.7° | 119.8° |
| C13 | C14 | H14 | 120.4° | 119.8° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C15 | C14 | H14 | 120.4° | 119.8° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | F1 | 117.6° | 120.1° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C17 | C18 | N3 | 129.7° | 133.3° |
| C18 | C17 | H17 | 121.1° | 120.1° |
| C18 | N3 | H3 | 126.0° | 125.9° |
| H61C | C6 | H62C | 109.5° | 109.4° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H91C | C9 | H93C | 109.4° | 109.5° |
| H92C | C9 | H93C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N3 | 178.7° | 179.8° |
| O1 | C1 | N1 | C2 | 178.6° | 180.0° |
| O1 | C1 | N3 | C18 | 179.3° | 179.8° |
| O1 | C1 | N1 | H1 | 1.4° | 0.0° |
| O1 | C1 | N3 | H3 | 0.7° | 0.1° |
| C1 | N1 | C2 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 179.9° | 180.0° |
| C1 | N1 | C2 | C18 | 2.2° | 0.0° |
| N1 | C1 | N3 | C18 | 2.2° | 0.4° |
| N1 | C1 | N3 | H3 | 177.8° | 179.7° |
| N3 | C1 | N1 | C2 | 2.8° | 0.2° |
| C1 | N3 | C18 | C2 | 0.9° | 0.4° |
| C1 | N3 | C18 | C17 | 177.7° | 179.9° |
| C1 | N3 | C18 | H3 | 180.0° | 179.9° |
| N3 | C1 | N1 | H1 | 177.2° | 179.8° |
| N1 | C2 | C3 | C18 | 177.4° | 179.9° |
| N1 | C2 | C3 | C4 | 178.9° | 180.0° |
| N1 | C2 | C18 | C17 | 179.5° | 180.0° |
| N1 | C2 | C18 | N3 | 0.8° | 0.3° |
| N1 | C2 | C3 | HA | 1.1° | 0.0° |
| C2 | C3 | C4 | HA | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C18 | C17 | 2.5° | 0.0° |
| C3 | C2 | C18 | N3 | 178.7° | 179.8° |
| C3 | C2 | N1 | H1 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C18 | C2 | C3 | C4 | 1.5° | 0.0° |
| C2 | C18 | C17 | C5 | 1.3° | 0.0° |
| C2 | C18 | C17 | N3 | 178.4° | 179.7° |
| C18 | C2 | N1 | H1 | 177.8° | 180.0° |
| C2 | C18 | N3 | H3 | 179.1° | 179.7° |
| C18 | C2 | C3 | HA | 178.5° | 180.0° |
| C2 | C18 | C17 | H17 | 178.7° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 178.2° | 180.0° |
| C3 | C4 | C5 | C17 | 1.8° | 0.0° |
| C4 | C5 | C6 | C17 | 176.5° | 180.0° |
| C4 | C5 | C6 | N2 | 39.4° | 89.9° |
| C4 | C5 | C17 | C18 | 0.9° | 0.0° |
| C5 | C4 | C3 | HA | 179.3° | 179.9° |
| C4 | C5 | C6 | H61C | 81.3° | 150.0° |
| C4 | C5 | C6 | H62C | 160.2° | 30.0° |
| C4 | C5 | C17 | H17 | 179.1° | 180.0° |
| C5 | C6 | N2 | H61C | 120.8° | 120.1° |
| C5 | C6 | N2 | H62C | 120.7° | 120.0° |
| C5 | C6 | N2 | C7 | 89.9° | 180.0° |
| C6 | C5 | C17 | C18 | 177.4° | 180.0° |
| C6 | C5 | C4 | H4 | 1.9° | 0.0° |
| C5 | C6 | H61C | H62C | 117.7° | 120.0° |
| C6 | C5 | C17 | H17 | 2.6° | 0.0° |
| C5 | C6 | N2 | H2 | 90.1° | 0.1° |
| C17 | C5 | C6 | N2 | 144.1° | 90.0° |
| C5 | C17 | C18 | H17 | 180.0° | 180.0° |
| C5 | C17 | C18 | N3 | 179.7° | 179.7° |
| C17 | C5 | C4 | H4 | 178.2° | 180.0° |
| C17 | C5 | C6 | H61C | 95.2° | 30.1° |
| C17 | C5 | C6 | H62C | 23.4° | 150.0° |
| C6 | N2 | C7 | H2 | 180.0° | 180.0° |
| C6 | N2 | C7 | C8 | 179.5° | 180.0° |
| C6 | N2 | C7 | O2 | 0.5° | 0.0° |
| N2 | C6 | H61C | H62C | 117.7° | 119.9° |
| N2 | C7 | C8 | O2 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 43.8° | 0.0° |
| N2 | C7 | C8 | C10 | 138.3° | 180.0° |
| C7 | N2 | C6 | H61C | 149.4° | 59.9° |
| C7 | N2 | C6 | H62C | 30.9° | 60.0° |
| C7 | C8 | C9 | C10 | 177.4° | 180.0° |
| C7 | C8 | C10 | C11 | 178.7° | 173.0° |
| C8 | C7 | N2 | H2 | 0.5° | 0.0° |
| C7 | C8 | C9 | H91C | 180.0° | 87.7° |
| C7 | C8 | C9 | H92C | 60.0° | 152.3° |
| C7 | C8 | C9 | H93C | 60.0° | 32.3° |
| C7 | C8 | C10 | H10 | 1.3° | 7.0° |
| O2 | C7 | C8 | C9 | 136.2° | 180.0° |
| O2 | C7 | C8 | C10 | 41.7° | 0.0° |
| O2 | C7 | N2 | H2 | 179.5° | 180.0° |
| C9 | C8 | C10 | C11 | 1.1° | 7.0° |
| C8 | C9 | H91C | H92C | 120.0° | 120.0° |
| C8 | C9 | H91C | H93C | 120.0° | 120.1° |
| C8 | C9 | H92C | H93C | 120.0° | 120.0° |
| C9 | C8 | C10 | H10 | 178.9° | 173.0° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| C8 | C10 | C11 | C12 | 119.4° | 35.7° |
| C8 | C10 | C11 | C16 | 63.8° | 144.6° |
| C10 | C8 | C9 | H91C | 2.6° | 92.3° |
| C10 | C8 | C9 | H92C | 117.4° | 27.7° |
| C10 | C8 | C9 | H93C | 122.5° | 147.7° |
| C10 | C11 | C12 | C16 | 177.0° | 179.7° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C10 | C11 | C16 | C15 | 179.0° | 179.7° |
| C10 | C11 | C16 | F1 | 2.2° | 0.0° |
| C10 | C11 | C12 | H12 | 0.4° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.1° |
| C12 | C11 | C16 | C15 | 2.2° | 0.6° |
| C12 | C11 | C16 | F1 | 179.0° | 179.8° |
| C12 | C11 | C10 | H10 | 60.6° | 144.3° |
| C11 | C12 | C13 | H13 | 178.6° | 180.0° |
| C16 | C11 | C12 | C13 | 2.6° | 0.2° |
| C11 | C16 | C15 | C14 | 0.5° | 0.7° |
| C11 | C16 | C15 | F1 | 178.8° | 179.7° |
| C16 | C11 | C10 | H10 | 116.2° | 35.4° |
| C16 | C11 | C12 | H12 | 177.4° | 179.7° |
| C11 | C16 | C15 | H15 | 179.5° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C12 | C13 | C14 | H14 | 179.6° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.8° | 0.4° |
| C14 | C13 | C12 | H12 | 178.6° | 180.0° |
| C13 | C14 | C15 | H15 | 179.2° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C14 | C15 | C16 | F1 | 179.4° | 179.7° |
| C15 | C14 | C13 | H13 | 179.7° | 179.9° |
| C16 | C15 | C14 | H14 | 179.2° | 179.7° |
| F1 | C16 | C15 | H15 | 0.7° | 0.0° |
| C17 | C18 | N3 | H3 | 2.3° | 0.0° |
| N3 | C18 | C17 | H17 | 0.3° | 0.3° |
| HA | C3 | C4 | H4 | 0.6° | 0.0° |
| H61C | C6 | N2 | H2 | 30.6° | 120.0° |
| H62C | C6 | N2 | H2 | 149.1° | 120.1° |
| H91C | C9 | H92C | H93C | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 1.4° | 0.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| H14 | C14 | C15 | H15 | 0.8° | 0.1° |
