4Y4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| O17 | C16 | doub | 1.21Å | 1.22Å | |
| C18 | C16 | sing | 1.51Å | 1.54Å | |
| C16 | C11 | sing | 1.47Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.59Å | |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C03 | N04 | sing | 1.47Å | 1.50Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C06 | sing | 1.53Å | 1.61Å | |
| C08 | O09 | sing | 1.43Å | 1.32Å | |
| C10 | O09 | sing | 1.36Å | 1.43Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | O07 | sing | 1.43Å | 1.42Å | |
| N04 | C05 | sing | 1.47Å | 1.43Å | |
| C14 | C15 | sing | 1.38Å | 1.45Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N04 | H27 | sing | 1.01Å | 1.00Å | |
| O07 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 120.3° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C23 | C24 | H5 | 120.0° | 120.0° |
| C24 | C23 | H24 | 119.9° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H4 | 120.1° | 120.0° |
| C22 | C23 | H24 | 119.8° | 119.9° |
| C24 | C25 | C20 | 120.0° | 120.0° |
| C25 | C24 | H5 | 120.0° | 120.0° |
| C24 | C25 | H25 | 120.0° | 120.0° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C22 | C21 | H3 | 120.1° | 120.0° |
| C21 | C22 | H4 | 120.1° | 120.0° |
| C25 | C20 | C21 | 120.1° | 120.0° |
| C25 | C20 | C19 | 119.8° | 120.0° |
| C20 | C25 | H25 | 120.0° | 120.0° |
| C21 | C20 | C19 | 120.1° | 120.0° |
| C20 | C21 | H3 | 120.1° | 120.0° |
| C20 | C19 | C18 | 111.4° | 109.5° |
| C20 | C19 | H22 | 109.0° | 109.4° |
| C20 | C19 | H23 | 109.0° | 109.5° |
| C19 | C18 | C16 | 112.9° | 109.5° |
| C19 | C18 | H20 | 108.6° | 109.5° |
| C19 | C18 | H21 | 108.6° | 109.5° |
| C18 | C19 | H22 | 108.9° | 109.5° |
| C18 | C19 | H23 | 109.0° | 109.5° |
| C01 | C02 | C03 | 112.2° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 108.8° | 109.5° |
| C01 | C02 | H10 | 108.8° | 109.5° |
| O17 | C16 | C18 | 120.8° | 120.0° |
| O17 | C16 | C11 | 120.4° | 120.0° |
| C18 | C16 | C11 | 118.8° | 120.0° |
| C16 | C18 | H20 | 108.6° | 109.4° |
| C16 | C18 | H21 | 108.6° | 109.5° |
| C16 | C11 | C12 | 119.8° | 120.2° |
| C16 | C11 | C10 | 119.8° | 120.2° |
| C02 | C03 | N04 | 110.7° | 109.5° |
| C03 | C02 | H9 | 108.8° | 109.4° |
| C03 | C02 | H10 | 108.8° | 109.5° |
| C02 | C03 | H11 | 109.1° | 109.5° |
| C02 | C03 | H12 | 109.1° | 109.5° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C12 | C11 | C10 | 120.4° | 119.5° |
| C11 | C12 | H18 | 120.0° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.3° |
| C12 | C13 | H1 | 120.0° | 119.8° |
| C13 | C12 | H18 | 120.0° | 120.1° |
| C11 | C10 | O09 | 119.9° | 120.2° |
| C11 | C10 | C15 | 119.7° | 119.7° |
| C03 | N04 | C05 | 109.3° | 111.0° |
| N04 | C03 | H11 | 109.2° | 109.4° |
| N04 | C03 | H12 | 109.2° | 109.5° |
| C03 | N04 | H27 | 109.6° | 110.9° |
| C13 | C14 | C15 | 120.0° | 120.5° |
| C14 | C13 | H1 | 120.0° | 119.8° |
| C13 | C14 | H19 | 120.0° | 119.8° |
| C06 | C08 | O09 | 108.1° | 109.4° |
| C08 | C06 | C05 | 113.2° | 109.4° |
| C08 | C06 | O07 | 108.2° | 109.5° |
| C08 | C06 | H15 | 108.0° | 109.5° |
| C06 | C08 | H16 | 109.8° | 109.4° |
| C06 | C08 | H17 | 109.8° | 109.5° |
| C08 | O09 | C10 | 114.8° | 117.0° |
| O09 | C08 | H16 | 109.8° | 109.5° |
| O09 | C08 | H17 | 109.8° | 109.5° |
| O09 | C10 | C15 | 120.4° | 120.2° |
| C10 | C15 | C14 | 120.0° | 120.1° |
| C10 | C15 | H2 | 120.0° | 120.0° |
| C05 | C06 | O07 | 107.7° | 109.5° |
| C06 | C05 | N04 | 111.1° | 109.5° |
| C06 | C05 | H13 | 109.1° | 109.5° |
| C06 | C05 | H14 | 109.0° | 109.5° |
| C05 | C06 | H15 | 109.2° | 109.4° |
| O07 | C06 | H15 | 110.6° | 109.5° |
| C06 | O07 | H28 | 109.5° | 114.0° |
| N04 | C05 | H13 | 109.1° | 109.4° |
| N04 | C05 | H14 | 109.1° | 109.4° |
| C05 | N04 | H27 | 109.5° | 111.0° |
| C14 | C15 | H2 | 120.0° | 120.0° |
| C15 | C14 | H19 | 120.0° | 119.7° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H24 | 180.0° | 179.8° |
| C23 | C24 | C25 | H5 | 180.0° | 179.4° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C23 | C24 | C25 | C20 | 0.1° | 0.5° |
| C24 | C23 | C22 | H4 | 180.0° | 180.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C22 | C21 | H4 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H3 | 180.0° | 180.0° |
| C22 | C23 | C24 | H5 | 180.0° | 179.7° |
| C24 | C25 | C20 | H25 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.1° | 0.5° |
| C24 | C25 | C20 | C19 | 179.9° | 179.8° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 0.1° | 0.3° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 179.9° | 180.0° |
| C21 | C22 | C23 | H24 | 180.0° | 179.8° |
| C25 | C20 | C21 | C19 | 180.0° | 179.7° |
| C25 | C20 | C19 | C18 | 108.8° | 89.7° |
| C25 | C20 | C21 | H3 | 179.9° | 179.8° |
| C20 | C25 | C24 | H5 | 179.9° | 180.0° |
| C25 | C20 | C19 | H22 | 130.9° | 30.3° |
| C25 | C20 | C19 | H23 | 11.5° | 150.2° |
| C21 | C20 | C19 | C18 | 71.2° | 90.0° |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C21 | C20 | C19 | H22 | 49.1° | 150.0° |
| C21 | C20 | C19 | H23 | 168.5° | 30.0° |
| C21 | C20 | C25 | H25 | 179.9° | 180.0° |
| C20 | C19 | C18 | H22 | 120.3° | 120.0° |
| C20 | C19 | C18 | H23 | 120.3° | 120.0° |
| C20 | C19 | C18 | C16 | 77.6° | 180.0° |
| C19 | C20 | C21 | H3 | 0.1° | 0.1° |
| C20 | C19 | C18 | H20 | 161.9° | 60.0° |
| C20 | C19 | C18 | H21 | 42.9° | 60.0° |
| C20 | C19 | H22 | H23 | 119.1° | 120.0° |
| C19 | C20 | C25 | H25 | 0.1° | 0.3° |
| C19 | C18 | C16 | O17 | 9.3° | 0.0° |
| C19 | C18 | C16 | H20 | 120.5° | 120.0° |
| C19 | C18 | C16 | H21 | 120.5° | 120.0° |
| C19 | C18 | C16 | C11 | 170.6° | 180.0° |
| C19 | C18 | H20 | H21 | 118.5° | 120.0° |
| C18 | C19 | H22 | H23 | 119.1° | 120.0° |
| C01 | C02 | C03 | H9 | 120.4° | 120.0° |
| C01 | C02 | C03 | H10 | 120.4° | 120.0° |
| C01 | C02 | C03 | N04 | 169.2° | 180.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 119.9° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | H9 | H10 | 118.8° | 120.1° |
| C01 | C02 | C03 | H11 | 70.6° | 60.0° |
| C01 | C02 | C03 | H12 | 49.0° | 60.0° |
| O17 | C16 | C18 | C11 | 179.9° | 180.0° |
| O17 | C16 | C11 | C12 | 95.7° | 180.0° |
| O17 | C16 | C11 | C10 | 84.8° | 0.0° |
| O17 | C16 | C18 | H20 | 129.9° | 120.0° |
| O17 | C16 | C18 | H21 | 111.2° | 120.0° |
| C18 | C16 | C11 | C12 | 84.3° | 0.0° |
| C18 | C16 | C11 | C10 | 95.2° | 180.0° |
| C16 | C18 | H20 | H21 | 118.4° | 120.0° |
| C16 | C18 | C19 | H22 | 42.7° | 60.0° |
| C16 | C18 | C19 | H23 | 162.1° | 60.0° |
| C16 | C11 | C12 | C10 | 179.5° | 180.0° |
| C16 | C11 | C12 | C13 | 179.6° | 180.0° |
| C16 | C11 | C10 | O09 | 0.4° | 0.0° |
| C16 | C11 | C10 | C15 | 179.7° | 179.7° |
| C16 | C11 | C12 | H18 | 0.4° | 0.0° |
| C11 | C16 | C18 | H20 | 50.1° | 60.0° |
| C11 | C16 | C18 | H21 | 68.9° | 59.9° |
| C02 | C03 | N04 | H11 | 120.2° | 120.0° |
| C02 | C03 | N04 | H12 | 120.2° | 120.0° |
| C02 | C03 | N04 | C05 | 62.6° | 180.0° |
| C03 | C02 | C01 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.1° |
| C03 | C02 | H9 | H10 | 118.7° | 120.0° |
| C02 | C03 | H11 | H12 | 119.4° | 120.1° |
| C02 | C03 | N04 | H27 | 177.4° | 56.1° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C10 | O09 | 179.8° | 180.0° |
| C12 | C11 | C10 | C15 | 0.2° | 0.3° |
| C11 | C12 | C13 | H1 | 179.9° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C11 | C10 | O09 | C08 | 56.8° | 179.7° |
| C11 | C10 | O09 | C15 | 180.0° | 179.7° |
| C11 | C10 | C15 | C14 | 0.1° | 0.3° |
| C11 | C10 | C15 | H2 | 179.9° | 179.7° |
| C10 | C11 | C12 | H18 | 179.9° | 180.0° |
| C03 | N04 | C05 | C06 | 38.2° | 180.0° |
| C03 | N04 | C05 | H27 | 120.0° | 123.9° |
| N04 | C03 | C02 | H9 | 48.8° | 60.0° |
| N04 | C03 | C02 | H10 | 70.3° | 60.0° |
| N04 | C03 | H11 | H12 | 119.4° | 120.0° |
| C03 | N04 | C05 | H13 | 82.1° | 60.0° |
| C03 | N04 | C05 | H14 | 158.4° | 60.0° |
| C13 | C14 | C15 | C10 | 0.0° | 0.0° |
| C13 | C14 | C15 | H19 | 180.0° | 179.7° |
| C13 | C14 | C15 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | H18 | 180.0° | 179.7° |
| C06 | C08 | O09 | H16 | 119.8° | 120.0° |
| C06 | C08 | O09 | H17 | 119.8° | 120.0° |
| C06 | C08 | O09 | C10 | 171.0° | 180.0° |
| C08 | C06 | C05 | O07 | 119.6° | 120.0° |
| C08 | C06 | C05 | H15 | 120.4° | 120.0° |
| C08 | C06 | O07 | H15 | 118.1° | 120.0° |
| C08 | C06 | C05 | N04 | 153.1° | 175.0° |
| C08 | C06 | C05 | H13 | 32.9° | 55.0° |
| C08 | C06 | C05 | H14 | 86.6° | 65.0° |
| C06 | C08 | H16 | H17 | 120.6° | 120.0° |
| C08 | C06 | O07 | H28 | 180.0° | 60.0° |
| C08 | O09 | C10 | C15 | 123.2° | 0.0° |
| O09 | C08 | C06 | C05 | 47.7° | 175.0° |
| O09 | C08 | C06 | O07 | 71.5° | 65.0° |
| O09 | C08 | C06 | H15 | 168.7° | 55.0° |
| O09 | C08 | H16 | H17 | 120.6° | 120.1° |
| O09 | C10 | C15 | C14 | 179.9° | 180.0° |
| O09 | C10 | C15 | H2 | 0.1° | 0.0° |
| C10 | O09 | C08 | H16 | 69.2° | 60.0° |
| C10 | O09 | C08 | H17 | 51.2° | 60.1° |
| C10 | C15 | C14 | H2 | 180.0° | 180.0° |
| C10 | C15 | C14 | H19 | 180.0° | 179.7° |
| C05 | C06 | O07 | H15 | 119.2° | 120.0° |
| C06 | C05 | N04 | H13 | 120.3° | 120.0° |
| C06 | C05 | N04 | H14 | 120.2° | 120.0° |
| C06 | C05 | H13 | H14 | 119.2° | 120.1° |
| C05 | C06 | C08 | H16 | 72.0° | 65.0° |
| C05 | C06 | C08 | H17 | 167.5° | 55.0° |
| C06 | C05 | N04 | H27 | 81.8° | 56.1° |
| C05 | C06 | O07 | H28 | 57.3° | 60.0° |
| O07 | C06 | C05 | N04 | 87.3° | 65.0° |
| O07 | C06 | C05 | H13 | 152.5° | 175.0° |
| O07 | C06 | C05 | H14 | 33.0° | 55.0° |
| O07 | C06 | C08 | H16 | 168.7° | 55.0° |
| O07 | C06 | C08 | H17 | 48.3° | 175.0° |
| C05 | N04 | C03 | H11 | 57.6° | 60.0° |
| C05 | N04 | C03 | H12 | 177.2° | 60.0° |
| N04 | C05 | H13 | H14 | 119.3° | 119.9° |
| N04 | C05 | C06 | H15 | 32.8° | 55.0° |
| C15 | C14 | C13 | H1 | 180.0° | 179.9° |
| H1 | C13 | C12 | H18 | 0.1° | 0.1° |
| H1 | C13 | C14 | H19 | 0.0° | 0.4° |
| H2 | C15 | C14 | H19 | 0.0° | 0.2° |
| H3 | C21 | C22 | H4 | 0.1° | 0.1° |
| H4 | C22 | C23 | H24 | 0.0° | 0.2° |
| H5 | C24 | C23 | H24 | 0.0° | 0.5° |
| H5 | C24 | C25 | H25 | 0.1° | 0.5° |
| H6 | C01 | H7 | H8 | 119.9° | 120.1° |
| H6 | C01 | C02 | H9 | 59.6° | 60.0° |
| H6 | C01 | C02 | H10 | 59.6° | 60.0° |
| H7 | C01 | C02 | H9 | 60.4° | 59.9° |
| H7 | C01 | C02 | H10 | 179.6° | 180.0° |
| H8 | C01 | C02 | H9 | 179.6° | 180.0° |
| H8 | C01 | C02 | H10 | 60.4° | 59.9° |
| H9 | C02 | C03 | H11 | 169.0° | 180.0° |
| H9 | C02 | C03 | H12 | 71.4° | 60.0° |
| H10 | C02 | C03 | H11 | 49.9° | 60.0° |
| H10 | C02 | C03 | H12 | 169.5° | 180.0° |
| H11 | C03 | N04 | H27 | 62.4° | 176.1° |
| H12 | C03 | N04 | H27 | 57.2° | 64.0° |
| H13 | C05 | C06 | H15 | 87.5° | 65.0° |
| H13 | C05 | N04 | H27 | 157.9° | 63.9° |
| H14 | C05 | C06 | H15 | 153.0° | 175.0° |
| H14 | C05 | N04 | H27 | 38.4° | 176.1° |
| H15 | C06 | C08 | H16 | 49.0° | 175.0° |
| H15 | C06 | C08 | H17 | 71.5° | 65.0° |
| H15 | C06 | O07 | H28 | 61.9° | 179.9° |
| H20 | C18 | C19 | H22 | 77.8° | 60.0° |
| H20 | C18 | C19 | H23 | 41.5° | NaN° |
| H21 | C18 | C19 | H22 | 163.2° | 180.0° |
| H21 | C18 | C19 | H23 | 77.4° | 60.0° |
