8Y6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.37Å | 1.42Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C15 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C20 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.41Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | F1 | sing | 1.35Å | 1.34Å | |
| C7 | C11 | sing | 1.48Å | 1.44Å | |
| C7 | C16 | sing | 1.42Å | 1.53Å | |
| C7 | C19 | doub | 1.39Å | 1.36Å | |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.47Å | 1.44Å | Aromatic |
| C8 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | N1 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C15 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C14 | sing | 1.42Å | 1.46Å | |
| C12 | C13 | sing | 1.37Å | 1.41Å | Aromatic |
| C12 | F2 | sing | 1.35Å | 1.34Å | |
| C12 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | O1 | doub | 1.22Å | 1.21Å | |
| C14 | O3 | sing | 1.35Å | 1.36Å | |
| C16 | N2 | sing | 1.35Å | 1.39Å | |
| C16 | O2 | doub | 1.22Å | 1.24Å | |
| N2 | C17 | sing | 1.36Å | 1.38Å | |
| C17 | C18 | doub | 1.36Å | 1.35Å | |
| C18 | C19 | sing | 1.40Å | 1.45Å | |
| C20 | O4 | doub | 1.22Å | 1.23Å | |
| C20 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C21 | sing | 1.36Å | 1.37Å | |
| N4 | C21 | doub | 1.30Å | 1.30Å | |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.47Å | 1.41Å | Aromatic |
| C23 | O5 | sing | 1.35Å | 1.32Å | Aromatic |
| O5 | C24 | sing | 1.34Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| N2 | HA | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N3 | HB | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.4° | 120.6° |
| C2 | C1 | C15 | 121.3° | 119.7° |
| C1 | C2 | C3 | 120.4° | 119.7° |
| C1 | C2 | H2 | 119.8° | 120.2° |
| C6 | C1 | C15 | 121.3° | 119.7° |
| C1 | C6 | C5 | 122.5° | 120.8° |
| C1 | C6 | F1 | 119.5° | 119.6° |
| C1 | C15 | N1 | 107.5° | 109.5° |
| C1 | C15 | H151 | 110.0° | 109.5° |
| C1 | C15 | H152 | 109.9° | 109.5° |
| C2 | C3 | C4 | 120.8° | 120.1° |
| C2 | C3 | C20 | 121.6° | 121.9° |
| C3 | C2 | H2 | 119.8° | 120.2° |
| C4 | C3 | C20 | 117.6° | 117.9° |
| C3 | C4 | C5 | 118.6° | 119.3° |
| C3 | C4 | N4 | 122.5° | 119.1° |
| C3 | C20 | O4 | 122.2° | 121.3° |
| C3 | C20 | N3 | 114.6° | 117.4° |
| C5 | C4 | N4 | 118.8° | 121.7° |
| C4 | C5 | C6 | 120.2° | 119.5° |
| C4 | C5 | H5 | 119.9° | 120.2° |
| C4 | N4 | C21 | 117.3° | 121.6° |
| C5 | C6 | F1 | 118.0° | 119.6° |
| C6 | C5 | H5 | 119.9° | 120.2° |
| C11 | C7 | C16 | 120.4° | 120.6° |
| C11 | C7 | C19 | 122.4° | 120.6° |
| C7 | C11 | C8 | 131.2° | 126.8° |
| C7 | C11 | C10 | 123.4° | 126.8° |
| C16 | C7 | C19 | 117.1° | 118.9° |
| C7 | C16 | N2 | 116.4° | 119.8° |
| C7 | C16 | O2 | 121.8° | 120.1° |
| C7 | C19 | C18 | 122.3° | 119.0° |
| C7 | C19 | H19 | 118.8° | 120.5° |
| C9 | C8 | C11 | 109.0° | 106.7° |
| C9 | C8 | C23 | 119.2° | 119.9° |
| C8 | C9 | N1 | 107.1° | 108.0° |
| C8 | C9 | C13 | 121.0° | 119.8° |
| C11 | C8 | C23 | 131.8° | 133.4° |
| C8 | C11 | C10 | 105.3° | 106.4° |
| C8 | C23 | C22 | 122.1° | 119.0° |
| C8 | C23 | O5 | 125.9° | 133.6° |
| N1 | C9 | C13 | 131.8° | 132.2° |
| C9 | N1 | C10 | 111.2° | 110.1° |
| C9 | N1 | C15 | 122.0° | 124.9° |
| C9 | C13 | C12 | 118.5° | 120.5° |
| C9 | C13 | H13 | 120.7° | 119.8° |
| C10 | N1 | C15 | 126.6° | 124.9° |
| N1 | C10 | C11 | 107.3° | 108.8° |
| N1 | C10 | C14 | 125.3° | 125.7° |
| N1 | C15 | H151 | 110.0° | 109.5° |
| N1 | C15 | H152 | 110.0° | 109.4° |
| C11 | C10 | C14 | 127.3° | 125.6° |
| C10 | C14 | O1 | 125.5° | 120.1° |
| C10 | C14 | O3 | 112.9° | 120.0° |
| C13 | C12 | F2 | 117.3° | 119.8° |
| C13 | C12 | C22 | 122.0° | 120.4° |
| C12 | C13 | H13 | 120.7° | 119.7° |
| F2 | C12 | C22 | 120.7° | 119.8° |
| C12 | C22 | C23 | 117.1° | 120.4° |
| C12 | C22 | C25 | 137.8° | 134.1° |
| O1 | C14 | O3 | 121.6° | 120.0° |
| C14 | O3 | H3 | 109.5° | 114.0° |
| N2 | C16 | O2 | 121.9° | 120.1° |
| C16 | N2 | C17 | 124.2° | 121.0° |
| C16 | N2 | HA | 117.9° | 119.5° |
| N2 | C17 | C18 | 119.8° | 121.2° |
| C17 | N2 | HA | 117.9° | 119.5° |
| N2 | C17 | H17 | 120.1° | 119.4° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H17 | 120.1° | 119.4° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | H19 | 118.9° | 120.5° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| O4 | C20 | N3 | 123.1° | 121.3° |
| C20 | N3 | C21 | 123.2° | 120.7° |
| C20 | N3 | HB | 118.4° | 119.6° |
| N3 | C21 | N4 | 124.7° | 123.4° |
| C21 | N3 | HB | 118.4° | 119.7° |
| N3 | C21 | H21 | 117.7° | 118.3° |
| N4 | C21 | H21 | 117.6° | 118.4° |
| C23 | C22 | C25 | 105.1° | 105.5° |
| C22 | C23 | O5 | 112.0° | 107.4° |
| C22 | C25 | C24 | 105.9° | 106.2° |
| C22 | C25 | H25 | 127.0° | 126.9° |
| C23 | O5 | C24 | 105.7° | 110.9° |
| O5 | C24 | C25 | 111.3° | 110.0° |
| O5 | C24 | H24 | 124.3° | 125.0° |
| C25 | C24 | H24 | 124.3° | 125.0° |
| C24 | C25 | H25 | 127.1° | 126.9° |
| H151 | C15 | H152 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C15 | 179.2° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.6° | 0.0° |
| C1 | C2 | C3 | C20 | 178.3° | 180.0° |
| C2 | C1 | C6 | C5 | 2.3° | 0.0° |
| C2 | C1 | C6 | F1 | 178.7° | 180.0° |
| C2 | C1 | C15 | N1 | 0.9° | 100.0° |
| C2 | C1 | C15 | H151 | 118.8° | 140.0° |
| C2 | C1 | C15 | H152 | 120.6° | 19.9° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C1 | C6 | C5 | C4 | 1.6° | 0.0° |
| C1 | C6 | C5 | F1 | 179.0° | 180.0° |
| C6 | C1 | C15 | N1 | 180.0° | 80.3° |
| C6 | C1 | C2 | H2 | 179.2° | 179.9° |
| C6 | C1 | C15 | H151 | 60.3° | 39.7° |
| C6 | C1 | C15 | H152 | 60.2° | 159.8° |
| C1 | C6 | C5 | H5 | 178.4° | 180.0° |
| C15 | C1 | C2 | C3 | 179.9° | 179.7° |
| C15 | C1 | C6 | C5 | 178.5° | 179.7° |
| C15 | C1 | C6 | F1 | 0.5° | 0.3° |
| C1 | C15 | N1 | C9 | 93.9° | 90.0° |
| C1 | C15 | N1 | C10 | 80.3° | 90.0° |
| C1 | C15 | N1 | H151 | 119.7° | 120.0° |
| C1 | C15 | N1 | H152 | 119.7° | 120.0° |
| C15 | C1 | C2 | H2 | 0.1° | 0.4° |
| C1 | C15 | H151 | H152 | 120.9° | 120.0° |
| C2 | C3 | C4 | C20 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 2.4° | 0.0° |
| C2 | C3 | C4 | N4 | 178.4° | 180.0° |
| C2 | C3 | C20 | O4 | 2.5° | 0.0° |
| C2 | C3 | C20 | N3 | 179.3° | 180.0° |
| C3 | C4 | C5 | N4 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C4 | C3 | C20 | O4 | 177.4° | 180.0° |
| C4 | C3 | C20 | N3 | 0.9° | 0.0° |
| C3 | C4 | N4 | C21 | 0.7° | 0.0° |
| C4 | C3 | C2 | H2 | 178.4° | 179.9° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C20 | C3 | C4 | C5 | 177.5° | 180.0° |
| C20 | C3 | C4 | N4 | 1.7° | 0.0° |
| C3 | C20 | O4 | N3 | 178.1° | 180.0° |
| C3 | C20 | N3 | C21 | 0.9° | 0.0° |
| C20 | C3 | C2 | H2 | 1.7° | 0.1° |
| C3 | C20 | N3 | HB | 179.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | F1 | 179.4° | 180.0° |
| C5 | C4 | N4 | C21 | 178.5° | 180.0° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | N4 | C21 | N3 | 1.3° | 0.1° |
| N4 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | N4 | C21 | H21 | 178.7° | 180.0° |
| F1 | C6 | C5 | H5 | 0.6° | 0.0° |
| C11 | C7 | C16 | C19 | 177.4° | 179.8° |
| C7 | C11 | C8 | C9 | 176.5° | 180.0° |
| C7 | C11 | C8 | C10 | 176.8° | 180.0° |
| C7 | C11 | C8 | C23 | 2.6° | 0.3° |
| C7 | C11 | C10 | N1 | 177.1° | 180.0° |
| C7 | C11 | C10 | C14 | 0.9° | 0.0° |
| C11 | C7 | C16 | N2 | 176.8° | 180.0° |
| C11 | C7 | C16 | O2 | 3.2° | 0.0° |
| C11 | C7 | C19 | C18 | 178.2° | 179.7° |
| C11 | C7 | C19 | H19 | 1.8° | 0.1° |
| C16 | C7 | C11 | C8 | 134.6° | 90.0° |
| C16 | C7 | C11 | C10 | 49.2° | 89.9° |
| C7 | C16 | N2 | O2 | 179.9° | 179.9° |
| C7 | C16 | N2 | C17 | 1.5° | 0.1° |
| C16 | C7 | C19 | C18 | 0.9° | 0.5° |
| C16 | C7 | C19 | H19 | 179.1° | 179.7° |
| C7 | C16 | N2 | HA | 178.5° | 180.0° |
| C19 | C7 | C11 | C8 | 48.2° | 89.8° |
| C19 | C7 | C11 | C10 | 128.1° | 90.3° |
| C19 | C7 | C16 | N2 | 0.6° | 0.2° |
| C19 | C7 | C16 | O2 | 179.5° | 179.8° |
| C7 | C19 | C18 | C17 | 1.6° | 0.5° |
| C7 | C19 | C18 | H19 | 180.0° | 179.8° |
| C7 | C19 | C18 | H18 | 178.4° | 179.7° |
| C9 | C8 | C11 | C23 | 179.0° | 179.8° |
| C8 | C9 | N1 | C13 | 178.5° | 179.9° |
| C8 | C9 | N1 | C10 | 0.5° | 0.0° |
| C8 | C9 | N1 | C15 | 175.6° | 180.0° |
| C9 | C8 | C11 | C10 | 0.3° | 0.0° |
| C8 | C9 | C13 | C12 | 0.2° | 0.0° |
| C9 | C8 | C23 | C22 | 0.9° | 0.1° |
| C9 | C8 | C23 | O5 | 179.1° | 180.0° |
| C8 | C9 | C13 | H13 | 179.8° | 180.0° |
| C11 | C8 | C9 | N1 | 0.5° | 0.0° |
| C11 | C8 | C9 | C13 | 178.2° | 179.9° |
| C8 | C11 | C10 | N1 | 0.0° | 0.0° |
| C8 | C11 | C10 | C14 | 178.0° | 180.0° |
| C11 | C8 | C23 | C22 | 178.0° | 179.7° |
| C11 | C8 | C23 | O5 | 2.0° | 0.2° |
| C23 | C8 | C9 | N1 | 179.7° | 179.8° |
| C23 | C8 | C9 | C13 | 0.9° | 0.3° |
| C23 | C8 | C11 | C10 | 179.3° | 179.8° |
| C8 | C23 | C22 | C12 | 0.3° | 0.6° |
| C8 | C23 | C22 | O5 | 180.0° | 179.9° |
| C8 | C23 | C22 | C25 | 179.9° | 179.9° |
| C8 | C23 | O5 | C24 | 179.3° | 179.9° |
| C9 | N1 | C10 | C15 | 174.8° | 180.0° |
| C9 | N1 | C10 | C11 | 0.3° | 0.0° |
| C9 | N1 | C10 | C14 | 177.7° | 180.0° |
| N1 | C9 | C13 | C12 | 178.1° | 180.0° |
| C9 | N1 | C15 | H151 | 146.3° | 30.1° |
| C9 | N1 | C15 | H152 | 25.7° | 150.0° |
| N1 | C9 | C13 | H13 | 1.9° | 0.1° |
| C13 | C9 | N1 | C10 | 178.0° | 179.9° |
| C13 | C9 | N1 | C15 | 3.0° | 0.1° |
| C9 | C13 | C12 | H13 | 180.0° | 180.0° |
| C9 | C13 | C12 | F2 | 178.1° | 180.0° |
| C9 | C13 | C12 | C22 | 1.5° | 0.6° |
| N1 | C10 | C11 | C14 | 178.0° | 180.0° |
| N1 | C10 | C14 | O1 | 142.5° | 180.0° |
| N1 | C10 | C14 | O3 | 36.0° | 0.0° |
| C10 | N1 | C15 | H151 | 39.4° | 150.0° |
| C10 | N1 | C15 | H152 | 160.0° | 30.0° |
| C15 | N1 | C10 | C11 | 175.1° | 180.0° |
| C15 | N1 | C10 | C14 | 2.9° | 0.0° |
| N1 | C15 | H151 | H152 | 120.9° | 120.0° |
| C11 | C10 | C14 | O1 | 35.1° | 0.0° |
| C11 | C10 | C14 | O3 | 146.3° | 180.0° |
| C10 | C14 | O1 | O3 | 178.4° | 180.0° |
| C10 | C14 | O3 | H3 | 178.6° | 179.9° |
| C13 | C12 | F2 | C22 | 179.6° | 179.4° |
| C13 | C12 | C22 | C23 | 1.5° | 0.9° |
| C13 | C12 | C22 | C25 | 179.0° | 179.9° |
| F2 | C12 | C22 | C23 | 178.0° | 179.7° |
| F2 | C12 | C22 | C25 | 1.5° | 0.5° |
| F2 | C12 | C13 | H13 | 1.9° | 0.0° |
| C12 | C22 | C23 | C25 | 179.7° | 179.4° |
| C12 | C22 | C23 | O5 | 179.7° | 179.4° |
| C12 | C22 | C25 | C24 | 179.7° | 179.3° |
| C22 | C12 | C13 | H13 | 178.5° | 179.4° |
| C12 | C22 | C25 | H25 | 0.3° | 0.0° |
| O1 | C14 | O3 | H3 | 0.0° | 0.0° |
| C16 | N2 | C17 | HA | 180.0° | 179.9° |
| C16 | N2 | C17 | C18 | 0.8° | 0.1° |
| C16 | N2 | C17 | H17 | 179.2° | 180.0° |
| O2 | C16 | N2 | C17 | 178.6° | 180.0° |
| O2 | C16 | N2 | HA | 1.4° | 0.1° |
| N2 | C17 | C18 | H17 | 180.0° | 179.9° |
| N2 | C17 | C18 | C19 | 0.8° | 0.3° |
| N2 | C17 | C18 | H18 | 179.3° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | H19 | 178.4° | 179.7° |
| C18 | C17 | N2 | HA | 179.2° | 180.0° |
| C19 | C18 | C17 | H17 | 179.2° | 179.8° |
| O4 | C20 | N3 | C21 | 179.2° | 180.0° |
| O4 | C20 | N3 | HB | 0.8° | 0.0° |
| C20 | N3 | C21 | HB | 180.0° | 180.0° |
| C20 | N3 | C21 | N4 | 2.2° | 0.1° |
| C20 | N3 | C21 | H21 | 177.8° | 180.0° |
| N3 | C21 | N4 | H21 | 180.0° | 180.0° |
| N4 | C21 | N3 | HB | 177.8° | 180.0° |
| C22 | C23 | O5 | C24 | 0.7° | 0.0° |
| C23 | C22 | C25 | C24 | 0.8° | 0.0° |
| C23 | C22 | C25 | H25 | 179.2° | 179.3° |
| C25 | C22 | C23 | O5 | 0.1° | 0.0° |
| C22 | C25 | C24 | O5 | 1.3° | 0.1° |
| C22 | C25 | C24 | H25 | 180.0° | 179.3° |
| C22 | C25 | C24 | H24 | 178.8° | 180.0° |
| C23 | O5 | C24 | C25 | 1.2° | 0.0° |
| C23 | O5 | C24 | H24 | 178.8° | 180.0° |
| O5 | C24 | C25 | H24 | 180.0° | 179.9° |
| O5 | C24 | C25 | H25 | 178.7° | 179.3° |
| H19 | C19 | C18 | H18 | 1.6° | 0.1° |
| HA | N2 | C17 | H17 | 0.8° | 0.1° |
| H17 | C17 | C18 | H18 | 0.7° | 0.0° |
| HB | N3 | C21 | H21 | 2.2° | 0.0° |
| H24 | C24 | C25 | H25 | 1.3° | 0.6° |
