YT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C13 | doub | 1.22Å | 1.21Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.48Å | |
| C13 | N1 | sing | 1.34Å | 1.36Å | |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C15 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C4 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.49Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| N | C2 | sing | 1.47Å | 1.46Å | |
| N | C14 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | F | sing | 1.35Å | 1.36Å | |
| C19 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C13 | C12 | 128.8° | 124.8° |
| O | C13 | N1 | 125.3° | 124.9° |
| C10 | C11 | C12 | 119.1° | 119.8° |
| C11 | C10 | C9 | 120.4° | 120.3° |
| C11 | C10 | H7 | 119.8° | 119.9° |
| C10 | C11 | H15 | 120.5° | 120.1° |
| C11 | C12 | C13 | 130.5° | 132.4° |
| C11 | C12 | C7 | 120.4° | 119.4° |
| C12 | C11 | H15 | 120.5° | 120.1° |
| C12 | C13 | N1 | 105.9° | 110.3° |
| C13 | C12 | C7 | 109.1° | 108.2° |
| C13 | N1 | C5 | 123.2° | 125.6° |
| C13 | N1 | C6 | 113.7° | 108.7° |
| C10 | C9 | C8 | 120.2° | 120.2° |
| C10 | C9 | H6 | 119.9° | 119.9° |
| C9 | C10 | H7 | 119.8° | 119.8° |
| C12 | C7 | C6 | 109.0° | 106.5° |
| C12 | C7 | C8 | 120.2° | 120.3° |
| N1 | C5 | C4 | 116.7° | 109.4° |
| C5 | N1 | C6 | 123.0° | 125.6° |
| N1 | C5 | H1 | 107.6° | 109.4° |
| N1 | C5 | H2 | 107.6° | 109.5° |
| C5 | C4 | C | 107.1° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.5° |
| C4 | C5 | H1 | 107.6° | 109.5° |
| C4 | C5 | H2 | 107.6° | 109.5° |
| C5 | C4 | H14 | 109.7° | 109.5° |
| N1 | C6 | C7 | 102.1° | 106.3° |
| N1 | C6 | H3 | 111.3° | 110.1° |
| N1 | C6 | H4 | 111.3° | 110.1° |
| C9 | C8 | C7 | 119.7° | 119.9° |
| C9 | C8 | H5 | 120.1° | 120.0° |
| C8 | C9 | H6 | 119.9° | 119.9° |
| O1 | C15 | C16 | 120.7° | 120.1° |
| O1 | C15 | C14 | 120.3° | 119.9° |
| C6 | C7 | C8 | 130.8° | 133.2° |
| C7 | C6 | H3 | 111.3° | 110.1° |
| C7 | C6 | H4 | 111.3° | 110.1° |
| C7 | C8 | H5 | 120.1° | 120.0° |
| C4 | C | C1 | 115.0° | 109.2° |
| C | C4 | C3 | 110.9° | 109.2° |
| C | C4 | H14 | 109.5° | 109.6° |
| C4 | C | H19 | 108.1° | 109.5° |
| C4 | C | H20 | 108.1° | 109.5° |
| C | C1 | N | 110.0° | 109.6° |
| C | C1 | H12 | 109.3° | 109.4° |
| C | C1 | H13 | 109.3° | 109.4° |
| C1 | C | H19 | 108.0° | 109.5° |
| C1 | C | H20 | 108.1° | 109.5° |
| C4 | C3 | C2 | 116.2° | 109.3° |
| C4 | C3 | H8 | 107.8° | 109.5° |
| C4 | C3 | H9 | 107.8° | 109.5° |
| C3 | C4 | H14 | 109.5° | 109.5° |
| C3 | C2 | N | 110.0° | 109.5° |
| C2 | C3 | H8 | 107.8° | 109.5° |
| C2 | C3 | H9 | 107.8° | 109.5° |
| C3 | C2 | H10 | 109.3° | 109.4° |
| C3 | C2 | H11 | 109.3° | 109.5° |
| C18 | C17 | C16 | 120.9° | 119.9° |
| C17 | C18 | C19 | 118.3° | 120.1° |
| C18 | C17 | H21 | 119.6° | 120.1° |
| C17 | C18 | H22 | 120.8° | 120.0° |
| C17 | C16 | C15 | 119.2° | 120.2° |
| C17 | C16 | C21 | 118.8° | 119.7° |
| C16 | C17 | H21 | 119.6° | 120.1° |
| C16 | C15 | C14 | 118.9° | 120.0° |
| C15 | C16 | C21 | 121.9° | 120.1° |
| C15 | C14 | N | 115.9° | 109.5° |
| C15 | C14 | H16 | 107.8° | 109.5° |
| C15 | C14 | H17 | 107.9° | 109.4° |
| C1 | N | C2 | 107.5° | 111.2° |
| C1 | N | C14 | 111.7° | 111.0° |
| N | C1 | H12 | 109.3° | 109.5° |
| N | C1 | H13 | 109.3° | 109.5° |
| C2 | N | C14 | 113.1° | 111.0° |
| N | C2 | H10 | 109.4° | 109.4° |
| N | C2 | H11 | 109.4° | 109.5° |
| N | C14 | H16 | 107.8° | 109.5° |
| N | C14 | H17 | 107.8° | 109.5° |
| C18 | C19 | F | 118.5° | 119.8° |
| C18 | C19 | C20 | 122.9° | 120.3° |
| C19 | C18 | H22 | 120.9° | 119.9° |
| C16 | C21 | C20 | 120.8° | 119.9° |
| C16 | C21 | H24 | 119.6° | 120.1° |
| F | C19 | C20 | 118.6° | 119.8° |
| C19 | C20 | C21 | 118.3° | 120.1° |
| C19 | C20 | H23 | 120.8° | 119.9° |
| C21 | C20 | H23 | 120.8° | 119.9° |
| C20 | C21 | H24 | 119.6° | 120.1° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 110.1° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H19 | C | H20 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C13 | C12 | C11 | 0.7° | 0.1° |
| O | C13 | C12 | N1 | 179.9° | 180.0° |
| O | C13 | C12 | C7 | 179.8° | 180.0° |
| O | C13 | N1 | C5 | 0.6° | 0.0° |
| O | C13 | N1 | C6 | 179.6° | 180.0° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 178.8° | 179.9° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.2° | 0.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C7 | 179.1° | 179.9° |
| C11 | C12 | C13 | N1 | 179.2° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C7 | C6 | 179.8° | 179.9° |
| C11 | C12 | C7 | C8 | 0.1° | 0.1° |
| C12 | C11 | C10 | H7 | 179.8° | 179.9° |
| C12 | C13 | N1 | C5 | 179.3° | 180.0° |
| C12 | C13 | N1 | C6 | 0.5° | 0.0° |
| C13 | C12 | C7 | C6 | 0.6° | 0.0° |
| C13 | C12 | C7 | C8 | 179.1° | 180.0° |
| C13 | C12 | C11 | H15 | 1.2° | 0.1° |
| N1 | C13 | C12 | C7 | 0.1° | 0.0° |
| C13 | N1 | C5 | C6 | 179.7° | 180.0° |
| C13 | N1 | C5 | C4 | 149.7° | 90.0° |
| C13 | N1 | C6 | C7 | 0.8° | 0.0° |
| C13 | N1 | C5 | H1 | 28.6° | 30.0° |
| C13 | N1 | C5 | H2 | 89.3° | 150.0° |
| C13 | N1 | C6 | H3 | 118.0° | 119.2° |
| C13 | N1 | C6 | H4 | 119.6° | 119.2° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C10 | C9 | C8 | H5 | 179.9° | 179.9° |
| C9 | C10 | C11 | H15 | 179.9° | 179.9° |
| C12 | C7 | C6 | N1 | 0.8° | 0.0° |
| C12 | C7 | C8 | C9 | 0.0° | 0.0° |
| C12 | C7 | C6 | C8 | 179.6° | 180.0° |
| C12 | C7 | C6 | H3 | 118.0° | 119.2° |
| C12 | C7 | C6 | H4 | 119.6° | 119.3° |
| C12 | C7 | C8 | H5 | 180.0° | 179.9° |
| C7 | C12 | C11 | H15 | 179.8° | 180.0° |
| N1 | C5 | C4 | H1 | 121.1° | 120.0° |
| N1 | C5 | C4 | H2 | 121.1° | 120.0° |
| C5 | N1 | C6 | C7 | 179.0° | 180.0° |
| N1 | C5 | C4 | C | 157.8° | 65.3° |
| N1 | C5 | C4 | C3 | 81.6° | 175.0° |
| N1 | C5 | H1 | H2 | 116.7° | 120.0° |
| C5 | N1 | C6 | H3 | 62.2° | 60.8° |
| C5 | N1 | C6 | H4 | 60.2° | 60.8° |
| N1 | C5 | C4 | H14 | 39.0° | 54.9° |
| C4 | C5 | N1 | C6 | 30.6° | 90.0° |
| C5 | C4 | C | C3 | 120.1° | 119.9° |
| C5 | C4 | C | H14 | 118.9° | 120.2° |
| C5 | C4 | C | C1 | 156.8° | 177.5° |
| C5 | C4 | C3 | H14 | 120.7° | 120.1° |
| C5 | C4 | C3 | C2 | 153.2° | 177.6° |
| C4 | C5 | H1 | H2 | 116.7° | 120.0° |
| C5 | C4 | C3 | H8 | 85.8° | 57.6° |
| C5 | C4 | C3 | H9 | 32.2° | 62.5° |
| C5 | C4 | C | H19 | 36.1° | 62.6° |
| C5 | C4 | C | H20 | 82.3° | 57.6° |
| N1 | C6 | C7 | H3 | 118.8° | 119.2° |
| N1 | C6 | C7 | H4 | 118.8° | 119.3° |
| N1 | C6 | C7 | C8 | 178.8° | 180.0° |
| C6 | N1 | C5 | H1 | 151.7° | 150.0° |
| C6 | N1 | C5 | H2 | 90.4° | 30.0° |
| N1 | C6 | H3 | H4 | 123.4° | 121.6° |
| C9 | C8 | C7 | C6 | 179.6° | 179.9° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | H7 | 180.0° | 179.9° |
| O1 | C15 | C16 | C17 | 0.3° | 179.7° |
| O1 | C15 | C16 | C14 | 179.8° | 180.0° |
| O1 | C15 | C14 | N | 4.6° | 0.0° |
| O1 | C15 | C16 | C21 | 177.5° | 0.0° |
| O1 | C15 | C14 | H16 | 125.5° | 120.0° |
| O1 | C15 | C14 | H17 | 116.4° | 120.1° |
| C7 | C6 | H3 | H4 | 123.4° | 121.6° |
| C6 | C7 | C8 | H5 | 0.5° | 0.0° |
| C8 | C7 | C6 | H3 | 62.4° | 60.8° |
| C8 | C7 | C6 | H4 | 60.0° | 60.7° |
| C7 | C8 | C9 | H6 | 179.9° | 180.0° |
| C4 | C | C1 | H19 | 120.8° | 119.9° |
| C4 | C | C1 | H20 | 120.8° | 119.9° |
| C | C4 | C3 | H14 | 121.0° | 120.0° |
| C | C4 | C3 | C2 | 34.9° | 57.7° |
| C4 | C | C1 | N | 54.7° | 59.2° |
| C | C4 | C5 | H1 | 81.2° | 174.7° |
| C | C4 | C5 | H2 | 36.7° | 54.7° |
| C | C4 | C3 | H8 | 155.8° | 62.3° |
| C | C4 | C3 | H9 | 86.1° | 177.6° |
| C4 | C | C1 | H12 | 174.7° | 60.9° |
| C4 | C | C1 | H13 | 65.4° | 179.2° |
| C4 | C | H19 | H20 | 117.5° | 120.1° |
| C1 | C | C4 | C3 | 36.7° | 57.7° |
| C | C1 | N | H12 | 120.1° | 120.1° |
| C | C1 | N | H13 | 120.1° | 120.0° |
| C | C1 | N | C2 | 68.3° | 61.7° |
| C | C1 | N | C14 | 167.1° | 174.1° |
| C | C1 | H12 | H13 | 119.7° | 119.9° |
| C1 | C | C4 | H14 | 84.3° | 62.3° |
| C1 | C | H19 | H20 | 117.5° | 120.1° |
| C4 | C3 | C2 | H8 | 121.0° | 119.9° |
| C4 | C3 | C2 | H9 | 121.0° | 120.0° |
| C4 | C3 | C2 | N | 50.2° | 59.2° |
| C3 | C4 | C5 | H1 | 39.5° | 55.0° |
| C3 | C4 | C5 | H2 | 157.4° | 65.0° |
| C4 | C3 | H8 | H9 | 116.9° | 120.1° |
| C4 | C3 | C2 | H10 | 69.9° | 60.8° |
| C4 | C3 | C2 | H11 | 170.3° | 179.2° |
| C3 | C4 | C | H19 | 84.1° | 177.6° |
| C3 | C4 | C | H20 | 157.5° | 62.2° |
| C3 | C2 | N | C1 | 65.6° | 61.7° |
| C3 | C2 | N | H10 | 120.1° | 119.9° |
| C3 | C2 | N | H11 | 120.1° | 120.1° |
| C3 | C2 | N | C14 | 170.7° | 174.2° |
| C2 | C3 | H8 | H9 | 116.9° | 120.1° |
| C3 | C2 | H10 | H11 | 119.7° | 120.0° |
| C2 | C3 | C4 | H14 | 86.1° | 62.3° |
| C18 | C17 | C16 | H21 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 177.1° | 179.9° |
| C17 | C18 | C19 | H22 | 180.0° | 179.9° |
| C18 | C17 | C16 | C21 | 0.8° | 0.3° |
| C17 | C18 | C19 | F | 178.6° | 179.9° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C17 | C16 | C15 | C21 | 177.8° | 179.7° |
| C17 | C16 | C15 | C14 | 179.9° | 0.3° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C21 | C20 | 0.7° | 0.6° |
| C16 | C17 | C18 | H22 | 179.8° | 180.0° |
| C17 | C16 | C21 | H24 | 179.3° | 179.8° |
| C16 | C15 | C14 | N | 175.2° | 180.0° |
| C15 | C16 | C21 | C20 | 177.1° | 179.7° |
| C16 | C15 | C14 | H16 | 54.3° | 60.0° |
| C16 | C15 | C14 | H17 | 63.8° | 60.0° |
| C15 | C16 | C17 | H21 | 2.9° | 0.0° |
| C15 | C16 | C21 | H24 | 2.9° | 0.1° |
| C15 | C14 | N | C1 | 76.0° | 170.0° |
| C15 | C14 | N | C2 | 162.6° | 65.8° |
| C15 | C14 | N | H16 | 120.9° | 120.0° |
| C15 | C14 | N | H17 | 121.0° | 120.0° |
| C14 | C15 | C16 | C21 | 2.3° | 179.9° |
| C15 | C14 | H16 | H17 | 117.1° | 119.9° |
| C1 | N | C2 | C14 | 123.7° | 124.1° |
| C1 | N | C2 | H10 | 54.5° | 58.3° |
| C1 | N | C2 | H11 | 174.3° | 178.2° |
| N | C1 | H12 | H13 | 119.8° | 120.0° |
| C1 | N | C14 | H16 | 163.0° | 70.0° |
| C1 | N | C14 | H17 | 44.9° | 50.0° |
| N | C1 | C | H19 | 66.1° | 179.1° |
| N | C1 | C | H20 | 175.5° | 60.7° |
| N | C2 | C3 | H8 | 171.2° | 60.8° |
| N | C2 | C3 | H9 | 70.8° | 179.1° |
| N | C2 | H10 | H11 | 119.8° | 120.0° |
| C2 | N | C1 | H12 | 171.6° | 58.3° |
| C2 | N | C1 | H13 | 51.7° | 178.3° |
| C2 | N | C14 | H16 | 41.6° | 54.2° |
| C2 | N | C14 | H17 | 76.4° | 174.2° |
| C14 | N | C2 | H10 | 69.3° | 65.8° |
| C14 | N | C2 | H11 | 50.6° | 54.1° |
| C14 | N | C1 | H12 | 47.0° | 65.8° |
| C14 | N | C1 | H13 | 72.8° | 54.2° |
| N | C14 | H16 | H17 | 117.0° | 120.0° |
| C18 | C19 | F | C20 | 179.2° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C19 | C18 | C17 | H21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H23 | 179.4° | 180.0° |
| C16 | C21 | C20 | C19 | 0.1° | 0.6° |
| C16 | C21 | C20 | H24 | 180.0° | 179.6° |
| C21 | C16 | C17 | H21 | 179.2° | 179.7° |
| C16 | C21 | C20 | H23 | 179.9° | 179.7° |
| F | C19 | C20 | C21 | 178.5° | 179.7° |
| F | C19 | C18 | H22 | 1.4° | 0.0° |
| F | C19 | C20 | H23 | 1.4° | 0.1° |
| C19 | C20 | C21 | H23 | 180.0° | 179.7° |
| C20 | C19 | C18 | H22 | 179.4° | 179.9° |
| C19 | C20 | C21 | H24 | 179.9° | 179.7° |
| H1 | C5 | C4 | H14 | 160.1° | 65.1° |
| H2 | C5 | C4 | H14 | 82.1° | 174.9° |
| H5 | C8 | C9 | H6 | 0.1° | 0.1° |
| H6 | C9 | C10 | H7 | 0.0° | 0.1° |
| H7 | C10 | C11 | H15 | 0.1° | 0.0° |
| H8 | C3 | C2 | H10 | 51.1° | 179.2° |
| H8 | C3 | C2 | H11 | 68.7° | 59.3° |
| H8 | C3 | C4 | H14 | 34.9° | 177.8° |
| H9 | C3 | C2 | H10 | 169.1° | 59.2° |
| H9 | C3 | C2 | H11 | 49.3° | 60.8° |
| H9 | C3 | C4 | H14 | 152.9° | 57.6° |
| H12 | C1 | C | H19 | 53.9° | 59.0° |
| H12 | C1 | C | H20 | 64.4° | 179.2° |
| H13 | C1 | C | H19 | 173.8° | 60.9° |
| H13 | C1 | C | H20 | 55.4° | 59.3° |
| H14 | C4 | C | H19 | 154.9° | 57.6° |
| H14 | C4 | C | H20 | 36.6° | 177.8° |
| H21 | C17 | C18 | H22 | 0.2° | 0.1° |
| H23 | C20 | C21 | H24 | 0.1° | 0.1° |
