Y7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.29Å | 1.30Å | |
| C1 | N5 | sing | 1.37Å | 1.40Å | |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| N2 | N3 | sing | 1.40Å | 1.41Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | N5 | sing | 1.35Å | 1.35Å | |
| C4 | O24 | doub | 1.22Å | 1.21Å | |
| N5 | C23 | sing | 1.46Å | 1.47Å | |
| N6 | C7 | sing | 1.35Å | 1.35Å | |
| N6 | C10 | sing | 1.40Å | 1.41Å | |
| N6 | C16 | sing | 1.47Å | 1.47Å | |
| C7 | O8 | doub | 1.21Å | 1.20Å | |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.08Å | 1.08Å | |
| C12 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C15 | H32 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.08Å | 1.08Å | |
| C19 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H38 | sing | 1.08Å | 1.08Å | |
| C22 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N5 | 108.8° | 108.8° |
| N2 | C1 | C9 | 123.7° | 125.6° |
| C1 | N2 | N3 | 107.5° | 108.1° |
| N5 | C1 | C9 | 127.4° | 125.6° |
| C1 | N5 | C4 | 107.7° | 108.3° |
| C1 | N5 | C23 | 127.7° | 125.9° |
| C1 | C9 | C7 | 112.8° | 109.5° |
| C1 | C9 | H27 | 108.6° | 109.4° |
| C1 | C9 | H26 | 108.7° | 109.5° |
| N2 | N3 | C4 | 108.3° | 107.3° |
| N2 | N3 | H25 | 125.9° | 126.4° |
| N3 | C4 | N5 | 107.6° | 107.4° |
| N3 | C4 | O24 | 126.1° | 126.3° |
| C4 | N3 | H25 | 125.9° | 126.3° |
| N5 | C4 | O24 | 126.2° | 126.3° |
| C4 | N5 | C23 | 124.6° | 125.8° |
| N5 | C23 | H40 | 109.5° | 109.5° |
| N5 | C23 | H42 | 109.4° | 109.5° |
| N5 | C23 | H41 | 109.5° | 109.5° |
| C7 | N6 | C10 | 123.5° | 120.0° |
| C7 | N6 | C16 | 116.3° | 120.0° |
| N6 | C7 | O8 | 117.6° | 120.0° |
| N6 | C7 | C9 | 122.8° | 120.0° |
| C10 | N6 | C16 | 120.2° | 120.0° |
| N6 | C10 | C11 | 120.0° | 120.1° |
| N6 | C10 | C15 | 120.0° | 120.1° |
| N6 | C16 | C17 | 106.7° | 109.5° |
| N6 | C16 | H34 | 110.2° | 109.4° |
| N6 | C16 | H33 | 110.2° | 109.5° |
| O8 | C7 | C9 | 119.6° | 120.1° |
| C7 | C9 | H27 | 108.6° | 109.5° |
| C7 | C9 | H26 | 108.6° | 109.5° |
| C11 | C10 | C15 | 120.0° | 119.9° |
| C10 | C11 | C14 | 119.3° | 119.9° |
| C10 | C11 | H28 | 120.4° | 120.0° |
| C10 | C15 | C13 | 120.3° | 119.9° |
| C10 | C15 | H32 | 119.9° | 120.0° |
| C11 | C14 | C12 | 120.6° | 120.1° |
| C14 | C11 | H28 | 120.3° | 120.1° |
| C11 | C14 | H31 | 119.7° | 119.9° |
| C13 | C12 | C14 | 119.8° | 120.2° |
| C12 | C13 | C15 | 120.0° | 120.1° |
| C13 | C12 | H29 | 120.1° | 119.9° |
| C12 | C13 | H30 | 120.0° | 120.0° |
| C14 | C12 | H29 | 120.1° | 119.9° |
| C12 | C14 | H31 | 119.7° | 120.0° |
| C15 | C13 | H30 | 120.0° | 119.9° |
| C13 | C15 | H32 | 119.8° | 120.1° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C16 | C17 | C22 | 120.9° | 120.0° |
| C17 | C16 | H34 | 110.2° | 109.5° |
| C17 | C16 | H33 | 110.2° | 109.5° |
| C18 | C17 | C22 | 119.8° | 120.0° |
| C17 | C18 | C21 | 120.1° | 120.0° |
| C17 | C18 | H35 | 119.9° | 119.9° |
| C17 | C22 | C20 | 119.5° | 120.0° |
| C17 | C22 | H39 | 120.2° | 120.0° |
| C18 | C21 | C19 | 120.3° | 120.0° |
| C21 | C18 | H35 | 120.0° | 120.0° |
| C18 | C21 | H38 | 119.8° | 120.0° |
| C20 | C19 | C21 | 119.4° | 120.0° |
| C19 | C20 | C22 | 120.7° | 120.0° |
| C20 | C19 | H36 | 120.3° | 120.0° |
| C19 | C20 | H37 | 119.6° | 120.0° |
| C21 | C19 | H36 | 120.3° | 120.0° |
| C19 | C21 | H38 | 119.8° | 120.0° |
| C22 | C20 | H37 | 119.7° | 120.0° |
| C20 | C22 | H39 | 120.3° | 120.0° |
| H27 | C9 | H26 | 109.4° | 109.5° |
| H34 | C16 | H33 | 109.5° | 109.4° |
| H40 | C23 | H42 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.4° | 109.5° |
| H42 | C23 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N5 | C9 | 176.7° | 179.7° |
| C1 | N2 | N3 | C4 | 0.8° | 0.0° |
| N2 | C1 | N5 | C4 | 0.8° | 0.0° |
| N2 | C1 | N5 | C23 | 178.8° | 180.0° |
| N2 | C1 | C9 | C7 | 111.8° | 0.0° |
| C1 | N2 | N3 | H25 | 179.2° | 180.0° |
| N2 | C1 | C9 | H27 | 127.7° | 120.0° |
| N2 | C1 | C9 | H26 | 8.7° | 120.0° |
| N5 | C1 | N2 | N3 | 1.0° | 0.0° |
| C1 | N5 | C4 | N3 | 0.3° | 0.0° |
| C1 | N5 | C4 | C23 | 179.6° | 180.0° |
| C1 | N5 | C4 | O24 | 180.0° | 180.0° |
| N5 | C1 | C9 | C7 | 71.9° | 179.7° |
| N5 | C1 | C9 | H27 | 48.6° | 60.3° |
| N5 | C1 | C9 | H26 | 167.6° | 59.7° |
| C1 | N5 | C23 | H40 | 180.0° | 90.0° |
| C1 | N5 | C23 | H42 | 60.0° | 150.0° |
| C1 | N5 | C23 | H41 | 60.0° | 30.0° |
| C9 | C1 | N2 | N3 | 177.8° | 179.7° |
| C9 | C1 | N5 | C4 | 177.5° | 179.7° |
| C9 | C1 | N5 | C23 | 2.1° | 0.3° |
| C1 | C9 | C7 | N6 | 167.0° | 174.1° |
| C1 | C9 | C7 | O8 | 13.7° | 5.9° |
| C1 | C9 | C7 | H27 | 120.5° | 120.0° |
| C1 | C9 | C7 | H26 | 120.5° | 120.0° |
| C1 | C9 | H27 | H26 | 118.5° | 120.0° |
| N2 | N3 | C4 | H25 | 180.0° | 180.0° |
| N2 | N3 | C4 | N5 | 0.3° | 0.0° |
| N2 | N3 | C4 | O24 | 179.4° | 180.0° |
| N3 | C4 | N5 | O24 | 179.7° | 180.0° |
| N3 | C4 | N5 | C23 | 179.3° | 180.0° |
| N5 | C4 | N3 | H25 | 179.7° | 180.0° |
| C4 | N5 | C23 | H40 | 0.5° | 90.0° |
| C4 | N5 | C23 | H42 | 119.5° | 30.0° |
| C4 | N5 | C23 | H41 | 120.5° | 150.0° |
| O24 | C4 | N5 | C23 | 0.4° | 0.0° |
| O24 | C4 | N3 | H25 | 0.5° | 0.0° |
| N5 | C23 | H40 | H42 | 120.0° | 120.0° |
| N5 | C23 | H40 | H41 | 120.0° | 120.0° |
| N5 | C23 | H42 | H41 | 120.0° | 120.0° |
| C7 | N6 | C10 | C16 | 178.6° | 180.0° |
| N6 | C7 | O8 | C9 | 179.3° | 179.9° |
| C7 | N6 | C10 | C11 | 41.1° | 111.7° |
| C7 | N6 | C10 | C15 | 140.6° | 68.5° |
| C7 | N6 | C16 | C17 | 83.9° | 90.0° |
| N6 | C7 | C9 | H27 | 46.5° | 65.9° |
| N6 | C7 | C9 | H26 | 72.4° | 54.1° |
| C7 | N6 | C16 | H34 | 156.5° | 150.0° |
| C7 | N6 | C16 | H33 | 35.6° | 30.0° |
| C10 | N6 | C7 | O8 | 178.4° | 174.9° |
| C10 | N6 | C7 | C9 | 0.8° | 5.1° |
| N6 | C10 | C11 | C15 | 178.3° | 179.7° |
| N6 | C10 | C11 | C14 | 179.0° | 180.0° |
| N6 | C10 | C15 | C13 | 179.3° | 180.0° |
| C10 | N6 | C16 | C17 | 97.4° | 90.0° |
| N6 | C10 | C11 | H28 | 1.0° | 0.0° |
| N6 | C10 | C15 | H32 | 0.7° | 0.0° |
| C10 | N6 | C16 | H34 | 22.2° | 30.1° |
| C10 | N6 | C16 | H33 | 143.0° | 150.0° |
| C16 | N6 | C7 | O8 | 0.2° | 5.1° |
| C16 | N6 | C7 | C9 | 179.5° | 175.0° |
| C16 | N6 | C10 | C11 | 137.5° | 68.3° |
| C16 | N6 | C10 | C15 | 40.8° | 111.5° |
| N6 | C16 | C17 | H34 | 119.6° | 120.0° |
| N6 | C16 | C17 | H33 | 119.6° | 120.0° |
| N6 | C16 | C17 | C18 | 6.9° | 90.0° |
| N6 | C16 | C17 | C22 | 173.2° | 90.3° |
| N6 | C16 | H34 | H33 | 121.3° | 119.9° |
| O8 | C7 | C9 | H27 | 134.2° | 114.0° |
| O8 | C7 | C9 | H26 | 106.8° | 125.9° |
| C7 | C9 | H27 | H26 | 118.4° | 120.0° |
| C10 | C11 | C14 | H28 | 180.0° | 179.9° |
| C10 | C11 | C14 | C12 | 0.3° | 0.1° |
| C11 | C10 | C15 | C13 | 1.0° | 0.3° |
| C10 | C11 | C14 | H31 | 179.8° | 180.0° |
| C11 | C10 | C15 | H32 | 179.0° | 179.8° |
| C15 | C10 | C11 | C14 | 0.7° | 0.2° |
| C10 | C15 | C13 | C12 | 0.8° | 0.0° |
| C10 | C15 | C13 | H32 | 180.0° | 180.0° |
| C15 | C10 | C11 | H28 | 179.3° | 179.7° |
| C10 | C15 | C13 | H30 | 179.2° | 179.7° |
| C11 | C14 | C12 | C13 | 0.1° | 0.3° |
| C11 | C14 | C12 | H31 | 180.0° | 180.0° |
| C11 | C14 | C12 | H29 | 179.9° | 180.0° |
| C13 | C12 | C14 | H29 | 180.0° | 179.6° |
| C12 | C13 | C15 | H30 | 180.0° | 179.7° |
| C13 | C12 | C14 | H31 | 179.9° | 179.7° |
| C12 | C13 | C15 | H32 | 179.2° | 180.0° |
| C14 | C12 | C13 | C15 | 0.4° | 0.3° |
| C12 | C14 | C11 | H28 | 179.7° | 180.0° |
| C14 | C12 | C13 | H30 | 179.6° | 180.0° |
| C15 | C13 | C12 | H29 | 179.6° | 179.9° |
| C16 | C17 | C18 | C22 | 179.9° | 179.7° |
| C16 | C17 | C18 | C21 | 179.9° | 179.9° |
| C16 | C17 | C22 | C20 | 179.6° | 180.0° |
| C17 | C16 | H34 | H33 | 121.3° | 120.0° |
| C16 | C17 | C18 | H35 | 0.1° | 0.0° |
| C16 | C17 | C22 | H39 | 0.4° | 0.1° |
| C17 | C18 | C21 | H35 | 180.0° | 179.9° |
| C17 | C18 | C21 | C19 | 0.7° | 0.1° |
| C18 | C17 | C22 | C20 | 0.5° | 0.3° |
| C18 | C17 | C16 | H34 | 126.5° | 30.0° |
| C18 | C17 | C16 | H33 | 112.6° | 150.0° |
| C17 | C18 | C21 | H38 | 179.3° | 180.0° |
| C18 | C17 | C22 | H39 | 179.5° | 179.6° |
| C22 | C17 | C18 | C21 | 0.2° | 0.3° |
| C17 | C22 | C20 | C19 | 0.1° | 0.1° |
| C17 | C22 | C20 | H39 | 180.0° | 179.9° |
| C22 | C17 | C16 | H34 | 53.6° | 149.8° |
| C22 | C17 | C16 | H33 | 67.3° | 29.8° |
| C22 | C17 | C18 | H35 | 179.8° | 179.8° |
| C17 | C22 | C20 | H37 | 179.8° | 179.8° |
| C18 | C21 | C19 | C20 | 1.3° | 0.1° |
| C18 | C21 | C19 | H38 | 180.0° | 179.9° |
| C18 | C21 | C19 | H36 | 178.7° | 180.0° |
| C20 | C19 | C21 | H36 | 180.0° | 179.9° |
| C19 | C20 | C22 | H37 | 180.0° | 179.8° |
| C20 | C19 | C21 | H38 | 178.7° | 179.8° |
| C19 | C20 | C22 | H39 | 179.8° | 179.9° |
| C21 | C19 | C20 | C22 | 1.0° | 0.1° |
| C19 | C21 | C18 | H35 | 179.3° | 180.0° |
| C21 | C19 | C20 | H37 | 178.9° | 180.0° |
| C22 | C20 | C19 | H36 | 179.0° | 180.0° |
| H28 | C11 | C14 | H31 | 0.2° | 0.0° |
| H29 | C12 | C13 | H30 | 0.4° | 0.4° |
| H29 | C12 | C14 | H31 | 0.1° | 0.1° |
| H30 | C13 | C15 | H32 | 0.8° | 0.3° |
| H35 | C18 | C21 | H38 | 0.7° | 0.1° |
| H36 | C19 | C20 | H37 | 1.1° | 0.1° |
| H36 | C19 | C21 | H38 | 1.3° | 0.1° |
| H37 | C20 | C22 | H39 | 0.2° | 0.3° |
| H40 | C23 | H42 | H41 | 120.0° | 120.0° |
