Y8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL22 | C19 | sing | 1.74Å | 1.78Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| O23 | C02 | sing | 1.36Å | 1.40Å | |
| O23 | C24 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | N07 | sing | 1.38Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.41Å | 1.37Å | Aromatic |
| C15 | N07 | sing | 1.46Å | 1.46Å | |
| C01 | C06 | sing | 1.40Å | 1.42Å | Aromatic |
| N07 | C08 | sing | 1.37Å | 1.37Å | Aromatic |
| C06 | C09 | sing | 1.40Å | 1.45Å | Aromatic |
| C08 | C09 | doub | 1.37Å | 1.38Å | Aromatic |
| C08 | C10 | sing | 1.47Å | 1.53Å | |
| C09 | C13 | sing | 1.51Å | 1.55Å | |
| C10 | C14 | sing | 1.51Å | 1.53Å | |
| C10 | N11 | doub | 1.30Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL22 | C19 | C18 | 119.7° | 120.0° |
| CL22 | C19 | C20 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.3° | 119.9° |
| C19 | C18 | C17 | 119.8° | 120.0° |
| C19 | C18 | H14 | 120.1° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H15 | 120.1° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C18 | C17 | H13 | 119.8° | 120.0° |
| C17 | C18 | H14 | 120.1° | 120.0° |
| C20 | C21 | C16 | 120.2° | 120.0° |
| C21 | C20 | H15 | 120.1° | 120.0° |
| C20 | C21 | H16 | 119.9° | 120.0° |
| C17 | C16 | C21 | 119.6° | 120.0° |
| C17 | C16 | C15 | 118.6° | 120.0° |
| C16 | C17 | H13 | 119.8° | 120.0° |
| C04 | C03 | C02 | 120.0° | 120.5° |
| C03 | C04 | C05 | 120.0° | 120.2° |
| C04 | C03 | H2 | 120.0° | 119.8° |
| C03 | C04 | H3 | 120.0° | 119.9° |
| C03 | C02 | O23 | 120.4° | 119.8° |
| C03 | C02 | C01 | 120.0° | 120.4° |
| C02 | C03 | H2 | 120.0° | 119.8° |
| C02 | O23 | C24 | 113.5° | 117.0° |
| O23 | C02 | C01 | 119.6° | 119.8° |
| O23 | C24 | H17 | 109.5° | 109.5° |
| O23 | C24 | H18 | 109.4° | 109.5° |
| O23 | C24 | H19 | 109.5° | 109.4° |
| C04 | C05 | N07 | 130.8° | 132.8° |
| C04 | C05 | C06 | 119.8° | 119.7° |
| C05 | C04 | H3 | 120.0° | 119.9° |
| C21 | C16 | C15 | 121.8° | 120.0° |
| C16 | C21 | H16 | 119.9° | 120.0° |
| C16 | C15 | N07 | 114.3° | 109.5° |
| C16 | C15 | H11 | 108.2° | 109.5° |
| C16 | C15 | H12 | 108.3° | 109.5° |
| C02 | C01 | C06 | 119.8° | 119.8° |
| C02 | C01 | H1 | 120.1° | 120.1° |
| N07 | C05 | C06 | 109.3° | 107.6° |
| C05 | N07 | C15 | 121.9° | 125.6° |
| C05 | N07 | C08 | 109.8° | 108.6° |
| C05 | C06 | C01 | 120.4° | 119.4° |
| C05 | C06 | C09 | 106.1° | 106.7° |
| C15 | N07 | C08 | 128.3° | 125.7° |
| N07 | C15 | H11 | 108.3° | 109.4° |
| N07 | C15 | H12 | 108.2° | 109.5° |
| C01 | C06 | C09 | 133.6° | 133.9° |
| C06 | C01 | H1 | 120.1° | 120.1° |
| N07 | C08 | C09 | 107.7° | 109.2° |
| N07 | C08 | C10 | 134.2° | 130.8° |
| C06 | C09 | C08 | 107.1° | 108.0° |
| C06 | C09 | C13 | 131.9° | 131.0° |
| C09 | C08 | C10 | 118.1° | 120.0° |
| C08 | C09 | C13 | 121.1° | 121.1° |
| C08 | C10 | C14 | 123.6° | 121.2° |
| C08 | C10 | N11 | 119.7° | 117.5° |
| C09 | C13 | C12 | 112.9° | 108.4° |
| C09 | C13 | H6 | 108.6° | 109.7° |
| C09 | C13 | H7 | 108.6° | 109.7° |
| C14 | C10 | N11 | 115.9° | 121.2° |
| C10 | C14 | H8 | 109.5° | 109.5° |
| C10 | C14 | H9 | 109.5° | 109.5° |
| C10 | C14 | H10 | 109.4° | 109.5° |
| C10 | N11 | C12 | 120.7° | 123.9° |
| C13 | C12 | N11 | 112.2° | 112.9° |
| C13 | C12 | H4 | 108.8° | 108.8° |
| C13 | C12 | H5 | 108.8° | 108.8° |
| C12 | C13 | H6 | 108.6° | 109.7° |
| C12 | C13 | H7 | 108.6° | 109.7° |
| N11 | C12 | H4 | 108.8° | 108.8° |
| N11 | C12 | H5 | 108.8° | 108.7° |
| H4 | C12 | H5 | 109.5° | 108.8° |
| H6 | C13 | H7 | 109.5° | 109.7° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL22 | C19 | C18 | C20 | 179.8° | 180.0° |
| CL22 | C19 | C18 | C17 | 179.9° | 179.9° |
| CL22 | C19 | C20 | C21 | 179.8° | 179.8° |
| CL22 | C19 | C18 | H14 | 0.1° | 0.0° |
| CL22 | C19 | C20 | H15 | 0.2° | 0.0° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | H15 | 179.6° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | H15 | 180.0° | 179.8° |
| C19 | C20 | C21 | C16 | 0.3° | 0.5° |
| C20 | C19 | C18 | H14 | 179.8° | 180.0° |
| C19 | C20 | C21 | H16 | 179.7° | 180.0° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C18 | C17 | C16 | C21 | 0.1° | 0.2° |
| C18 | C17 | C16 | C15 | 179.6° | 180.0° |
| C20 | C21 | C16 | C17 | 0.1° | 0.5° |
| C20 | C21 | C16 | H16 | 180.0° | 179.5° |
| C20 | C21 | C16 | C15 | 179.5° | 179.7° |
| C17 | C16 | C21 | C15 | 179.5° | 179.8° |
| C17 | C16 | C15 | N07 | 154.3° | 96.1° |
| C17 | C16 | C15 | H11 | 33.6° | 143.9° |
| C17 | C16 | C15 | H12 | 85.0° | 23.9° |
| C16 | C17 | C18 | H14 | 180.0° | 180.0° |
| C17 | C16 | C21 | H16 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | O23 | 180.0° | 179.9° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C03 | C04 | C05 | N07 | 179.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C03 | C02 | O23 | C01 | 179.8° | 179.9° |
| C03 | C02 | O23 | C24 | 98.8° | 0.1° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.1° |
| C03 | C02 | C01 | H1 | 179.8° | 179.7° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| O23 | C02 | C01 | C06 | 179.9° | 180.0° |
| O23 | C02 | C01 | H1 | 0.0° | 0.4° |
| O23 | C02 | C03 | H2 | 0.1° | 0.0° |
| C02 | O23 | C24 | H17 | 180.0° | 60.0° |
| C02 | O23 | C24 | H18 | 60.0° | 60.0° |
| C02 | O23 | C24 | H19 | 60.0° | 180.0° |
| C24 | O23 | C02 | C01 | 81.0° | 180.0° |
| O23 | C24 | H17 | H18 | 120.0° | 120.0° |
| O23 | C24 | H17 | H19 | 120.0° | 120.0° |
| O23 | C24 | H18 | H19 | 120.0° | 120.0° |
| C04 | C05 | N07 | C06 | 179.9° | 179.9° |
| C04 | C05 | N07 | C15 | 0.8° | 0.2° |
| C04 | C05 | C06 | C01 | 0.3° | 0.1° |
| C04 | C05 | N07 | C08 | 179.6° | 179.8° |
| C04 | C05 | C06 | C09 | 179.8° | 179.7° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C21 | C16 | C15 | N07 | 26.1° | 84.1° |
| C21 | C16 | C15 | H11 | 146.9° | 35.9° |
| C21 | C16 | C15 | H12 | 94.6° | 155.9° |
| C21 | C16 | C17 | H13 | 179.9° | 179.7° |
| C16 | C21 | C20 | H15 | 179.7° | 179.7° |
| C16 | C15 | N07 | C05 | 100.1° | 89.3° |
| C16 | C15 | N07 | H11 | 120.7° | 120.0° |
| C16 | C15 | N07 | H12 | 120.7° | 120.1° |
| C16 | C15 | N07 | C08 | 81.3° | 90.8° |
| C16 | C15 | H11 | H12 | 117.8° | 120.0° |
| C15 | C16 | C17 | H13 | 0.4° | 0.1° |
| C15 | C16 | C21 | H16 | 0.5° | 0.2° |
| C02 | C01 | C06 | C05 | 0.1° | 0.1° |
| C02 | C01 | C06 | H1 | 180.0° | 179.6° |
| C02 | C01 | C06 | C09 | 179.9° | 179.7° |
| C01 | C02 | C03 | H2 | 179.9° | 180.0° |
| C05 | N07 | C15 | C08 | 178.6° | 179.9° |
| N07 | C05 | C06 | C01 | 179.8° | 179.9° |
| N07 | C05 | C06 | C09 | 0.1° | 0.2° |
| C05 | N07 | C08 | C09 | 0.4° | 0.0° |
| C05 | N07 | C08 | C10 | 179.9° | 179.6° |
| N07 | C05 | C04 | H3 | 0.1° | 0.1° |
| C05 | N07 | C15 | H11 | 20.6° | 150.7° |
| C05 | N07 | C15 | H12 | 139.1° | 30.8° |
| C06 | C05 | N07 | C15 | 179.1° | 179.9° |
| C05 | C06 | C01 | C09 | 179.8° | 179.8° |
| C06 | C05 | N07 | C08 | 0.3° | 0.1° |
| C05 | C06 | C09 | C08 | 0.1° | 0.2° |
| C05 | C06 | C09 | C13 | 179.7° | 179.9° |
| C05 | C06 | C01 | H1 | 179.9° | 179.8° |
| C06 | C05 | C04 | H3 | 179.7° | 179.9° |
| C15 | N07 | C08 | C09 | 179.1° | 180.0° |
| C15 | N07 | C08 | C10 | 1.2° | 0.3° |
| N07 | C15 | H11 | H12 | 117.8° | 120.0° |
| C01 | C06 | C09 | C08 | 180.0° | 180.0° |
| C01 | C06 | C09 | C13 | 0.1° | 0.2° |
| N07 | C08 | C09 | C06 | 0.3° | 0.1° |
| N07 | C08 | C09 | C10 | 179.8° | 179.7° |
| N07 | C08 | C09 | C13 | 179.6° | 179.9° |
| N07 | C08 | C10 | C14 | 1.9° | 16.2° |
| N07 | C08 | C10 | N11 | 167.4° | 163.7° |
| C08 | N07 | C15 | H11 | 158.0° | 29.2° |
| C08 | N07 | C15 | H12 | 39.5° | 149.2° |
| C06 | C09 | C08 | C13 | 179.9° | 179.7° |
| C06 | C09 | C08 | C10 | 179.9° | 179.8° |
| C06 | C09 | C13 | C12 | 151.1° | 150.1° |
| C09 | C06 | C01 | H1 | 0.1° | 0.1° |
| C06 | C09 | C13 | H6 | 88.3° | 90.1° |
| C06 | C09 | C13 | H7 | 30.6° | 30.4° |
| C09 | C08 | C10 | C14 | 177.8° | 163.4° |
| C09 | C08 | C10 | N11 | 12.9° | 16.6° |
| C08 | C09 | C13 | C12 | 29.0° | 29.6° |
| C08 | C09 | C13 | H6 | 91.5° | 90.2° |
| C08 | C09 | C13 | H7 | 149.5° | 149.3° |
| C10 | C08 | C09 | C13 | 0.2° | 0.4° |
| C08 | C10 | C14 | N11 | 169.7° | 180.0° |
| C08 | C10 | N11 | C12 | 5.8° | 1.9° |
| C08 | C10 | C14 | H8 | 169.7° | 84.3° |
| C08 | C10 | C14 | H9 | 49.7° | 155.7° |
| C08 | C10 | C14 | H10 | 70.3° | 35.7° |
| C09 | C13 | C12 | H6 | 120.5° | 119.7° |
| C09 | C13 | C12 | H7 | 120.5° | 119.8° |
| C09 | C13 | C12 | N11 | 44.8° | 44.5° |
| C09 | C13 | C12 | H4 | 165.2° | 165.4° |
| C09 | C13 | C12 | H5 | 75.6° | 76.2° |
| C09 | C13 | H6 | H7 | 118.4° | 120.5° |
| C14 | C10 | N11 | C12 | 164.4° | 178.1° |
| C10 | C14 | H8 | H9 | 120.0° | 120.0° |
| C10 | C14 | H8 | H10 | 120.0° | 120.0° |
| C10 | C14 | H9 | H10 | 119.9° | 120.0° |
| C10 | N11 | C12 | C13 | 34.6° | 33.9° |
| C10 | N11 | C12 | H4 | 154.9° | 154.8° |
| C10 | N11 | C12 | H5 | 85.9° | 86.9° |
| N11 | C10 | C14 | H8 | 0.0° | 95.7° |
| N11 | C10 | C14 | H9 | 120.0° | 24.3° |
| N11 | C10 | C14 | H10 | 120.0° | 144.3° |
| C13 | C12 | N11 | H4 | 120.4° | 120.9° |
| C13 | C12 | N11 | H5 | 120.4° | 120.8° |
| C13 | C12 | H4 | H5 | 118.8° | 118.4° |
| C12 | C13 | H6 | H7 | 118.4° | 120.5° |
| N11 | C12 | H4 | H5 | 118.7° | 118.2° |
| N11 | C12 | C13 | H6 | 75.7° | 75.2° |
| N11 | C12 | C13 | H7 | 165.3° | 164.3° |
| H2 | C03 | C04 | H3 | 0.0° | 0.1° |
| H4 | C12 | C13 | H6 | 44.7° | 45.7° |
| H4 | C12 | C13 | H7 | 74.3° | 74.9° |
| H5 | C12 | C13 | H6 | 163.9° | 164.1° |
| H5 | C12 | C13 | H7 | 44.9° | 43.6° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H13 | C17 | C18 | H14 | 0.0° | 0.1° |
| H15 | C20 | C21 | H16 | 0.3° | 0.2° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
