Y5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.22Å | 1.19Å | |
| O19 | C17 | sing | 1.35Å | 1.46Å | |
| C17 | C12 | sing | 1.48Å | 1.53Å | |
| F25 | C13 | sing | 1.35Å | 1.37Å | |
| O10 | C4 | doub | 1.22Å | 1.40Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| N3 | C2 | sing | 1.36Å | 1.33Å | |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C2 | sing | 1.37Å | 1.45Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.41Å | 1.43Å | |
| C2 | N1 | doub | 1.31Å | 1.32Å | |
| C15 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | doub | 1.40Å | 1.37Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| N1 | C9 | sing | 1.35Å | 1.36Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | N7 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C9 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| N7 | C6 | sing | 1.36Å | 1.32Å | Aromatic |
| C5 | C6 | doub | 1.35Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| N11 | H14 | sing | 0.97Å | 1.00Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| O19 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | O19 | 120.0° | 120.0° |
| O18 | C17 | C12 | 119.8° | 120.0° |
| O19 | C17 | C12 | 120.2° | 120.0° |
| C17 | O19 | H17 | 109.5° | 117.0° |
| C17 | C12 | C13 | 119.7° | 120.2° |
| C17 | C12 | C14 | 120.4° | 120.2° |
| F25 | C13 | C12 | 119.8° | 120.1° |
| F25 | C13 | C15 | 120.1° | 120.2° |
| O10 | C4 | N3 | 119.5° | 120.7° |
| O10 | C4 | C8 | 121.4° | 120.8° |
| C13 | C12 | C14 | 119.9° | 119.6° |
| C12 | C13 | C15 | 120.0° | 119.8° |
| C12 | C14 | C16 | 120.1° | 119.9° |
| C12 | C14 | H1 | 120.0° | 120.1° |
| C4 | N3 | C2 | 121.3° | 120.4° |
| N3 | C4 | C8 | 119.1° | 118.5° |
| C4 | N3 | H16 | 119.3° | 119.8° |
| N3 | C2 | N11 | 119.0° | 119.1° |
| N3 | C2 | N1 | 121.5° | 121.9° |
| C2 | N3 | H16 | 119.3° | 119.8° |
| C13 | C15 | C24 | 120.1° | 120.2° |
| C13 | C15 | H2 | 119.9° | 119.9° |
| N11 | C2 | N1 | 119.5° | 119.0° |
| C2 | N11 | H14 | 120.0° | 120.0° |
| C2 | N11 | H15 | 120.0° | 120.0° |
| C14 | C16 | C24 | 120.0° | 120.2° |
| C16 | C14 | H1 | 120.0° | 120.0° |
| C14 | C16 | H3 | 120.0° | 119.9° |
| C4 | C8 | C9 | 117.8° | 118.7° |
| C4 | C8 | N7 | 133.0° | 134.0° |
| C2 | N1 | C9 | 120.8° | 120.9° |
| C15 | C24 | C16 | 119.8° | 120.4° |
| C15 | C24 | C23 | 119.7° | 119.9° |
| C24 | C15 | H2 | 119.9° | 119.9° |
| C16 | C24 | C23 | 120.5° | 119.8° |
| C24 | C16 | H3 | 120.0° | 119.9° |
| C24 | C23 | C22 | 113.5° | 109.5° |
| C24 | C23 | H10 | 108.4° | 109.5° |
| C24 | C23 | H11 | 108.4° | 109.5° |
| C9 | C8 | N7 | 109.2° | 107.3° |
| C8 | C9 | N1 | 119.4° | 119.6° |
| C8 | C9 | C5 | 106.5° | 106.6° |
| C8 | N7 | C20 | 123.6° | 125.6° |
| C8 | N7 | C6 | 108.7° | 108.8° |
| N1 | C9 | C5 | 134.1° | 133.9° |
| C23 | C22 | C21 | 112.4° | 109.5° |
| C23 | C22 | H8 | 108.7° | 109.5° |
| C23 | C22 | H9 | 108.8° | 109.5° |
| C22 | C23 | H10 | 108.5° | 109.4° |
| C22 | C23 | H11 | 108.4° | 109.4° |
| N7 | C20 | C21 | 110.6° | 109.4° |
| C20 | N7 | C6 | 122.6° | 125.6° |
| N7 | C20 | H4 | 109.2° | 109.5° |
| N7 | C20 | H5 | 109.2° | 109.5° |
| C20 | C21 | C22 | 112.5° | 109.5° |
| C21 | C20 | H4 | 109.2° | 109.5° |
| C21 | C20 | H5 | 109.2° | 109.5° |
| C20 | C21 | H6 | 108.7° | 109.5° |
| C20 | C21 | H7 | 108.7° | 109.5° |
| C22 | C21 | H6 | 108.7° | 109.5° |
| C22 | C21 | H7 | 108.7° | 109.4° |
| C21 | C22 | H8 | 108.8° | 109.5° |
| C21 | C22 | H9 | 108.8° | 109.4° |
| C9 | C5 | C6 | 105.4° | 107.9° |
| C9 | C5 | H12 | 127.3° | 126.0° |
| N7 | C6 | C5 | 110.2° | 109.5° |
| N7 | C6 | H13 | 124.9° | 125.3° |
| C6 | C5 | H12 | 127.3° | 126.1° |
| C5 | C6 | H13 | 124.9° | 125.2° |
| H4 | C20 | H5 | 109.4° | 109.5° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.4° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H14 | N11 | H15 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | O19 | C12 | 179.7° | 180.0° |
| O18 | C17 | C12 | C13 | 6.5° | 0.0° |
| O18 | C17 | C12 | C14 | 173.5° | 179.7° |
| O18 | C17 | O19 | H17 | 0.0° | 0.0° |
| O19 | C17 | C12 | C13 | 173.1° | 180.0° |
| O19 | C17 | C12 | C14 | 6.8° | 0.3° |
| C17 | C12 | C13 | F25 | 0.0° | 0.3° |
| C17 | C12 | C13 | C14 | 180.0° | 179.7° |
| C17 | C12 | C13 | C15 | 179.9° | 179.7° |
| C17 | C12 | C14 | C16 | 180.0° | 179.7° |
| C17 | C12 | C14 | H1 | 0.0° | 0.2° |
| C12 | C17 | O19 | H17 | 179.7° | 180.0° |
| F25 | C13 | C12 | C15 | 179.9° | 180.0° |
| F25 | C13 | C12 | C14 | 180.0° | 180.0° |
| F25 | C13 | C15 | C24 | 180.0° | 180.0° |
| F25 | C13 | C15 | H2 | 0.0° | 0.0° |
| O10 | C4 | N3 | C8 | 179.8° | 179.7° |
| O10 | C4 | N3 | C2 | 180.0° | 179.7° |
| O10 | C4 | C8 | C9 | 180.0° | 180.0° |
| O10 | C4 | C8 | N7 | 0.4° | 0.3° |
| O10 | C4 | N3 | H16 | 0.0° | 0.3° |
| C13 | C12 | C14 | C16 | 0.0° | 0.0° |
| C12 | C13 | C15 | C24 | 0.1° | 0.0° |
| C13 | C12 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C15 | H2 | 179.9° | 180.0° |
| C14 | C12 | C13 | C15 | 0.0° | 0.0° |
| C12 | C14 | C16 | H1 | 180.0° | 180.0° |
| C12 | C14 | C16 | C24 | 0.0° | 0.0° |
| C12 | C14 | C16 | H3 | 180.0° | 180.0° |
| C4 | N3 | C2 | H16 | 180.0° | 180.0° |
| C4 | N3 | C2 | N11 | 179.9° | 179.7° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | C8 | C9 | 0.2° | 0.3° |
| N3 | C4 | C8 | N7 | 179.7° | 180.0° |
| N3 | C2 | N11 | N1 | 180.0° | 179.8° |
| C2 | N3 | C4 | C8 | 0.2° | 0.0° |
| N3 | C2 | N1 | C9 | 0.0° | 0.2° |
| N3 | C2 | N11 | H14 | 180.0° | 179.7° |
| N3 | C2 | N11 | H15 | 0.0° | 0.2° |
| C13 | C15 | C24 | H2 | 180.0° | 180.0° |
| C13 | C15 | C24 | C16 | 0.1° | 0.0° |
| C13 | C15 | C24 | C23 | 180.0° | 180.0° |
| N11 | C2 | N1 | C9 | 180.0° | 180.0° |
| C2 | N11 | H14 | H15 | 180.0° | 179.9° |
| N11 | C2 | N3 | H16 | 0.1° | 0.3° |
| C14 | C16 | C24 | C15 | 0.0° | 0.0° |
| C14 | C16 | C24 | H3 | 180.0° | 180.0° |
| C14 | C16 | C24 | C23 | 180.0° | 180.0° |
| C4 | C8 | C9 | N7 | 179.7° | 179.8° |
| C4 | C8 | C9 | N1 | 0.1° | 0.5° |
| C4 | C8 | N7 | C20 | 24.7° | 0.0° |
| C4 | C8 | C9 | C5 | 179.9° | 180.0° |
| C4 | C8 | N7 | C6 | 180.0° | 180.0° |
| C8 | C4 | N3 | H16 | 179.8° | 180.0° |
| C2 | N1 | C9 | C8 | 0.0° | 0.5° |
| C2 | N1 | C9 | C5 | 180.0° | 179.8° |
| N1 | C2 | N11 | H14 | 0.0° | 0.1° |
| N1 | C2 | N11 | H15 | 180.0° | 180.0° |
| N1 | C2 | N3 | H16 | 179.9° | 180.0° |
| C15 | C24 | C16 | C23 | 180.0° | 180.0° |
| C15 | C24 | C23 | C22 | 175.2° | 90.0° |
| C15 | C24 | C16 | H3 | 180.0° | 180.0° |
| C15 | C24 | C23 | H10 | 64.2° | 30.0° |
| C15 | C24 | C23 | H11 | 54.6° | 150.0° |
| C16 | C24 | C23 | C22 | 4.8° | 90.0° |
| C24 | C16 | C14 | H1 | 180.0° | 180.0° |
| C16 | C24 | C15 | H2 | 180.0° | 180.0° |
| C16 | C24 | C23 | H10 | 115.8° | 150.0° |
| C16 | C24 | C23 | H11 | 125.4° | 30.0° |
| C24 | C23 | C22 | H10 | 120.6° | 120.0° |
| C24 | C23 | C22 | H11 | 120.6° | 120.1° |
| C24 | C23 | C22 | C21 | 170.3° | 180.0° |
| C23 | C24 | C15 | H2 | 0.0° | 0.0° |
| C23 | C24 | C16 | H3 | 0.0° | 0.0° |
| C24 | C23 | C22 | H8 | 69.2° | 60.0° |
| C24 | C23 | C22 | H9 | 49.8° | 60.0° |
| C24 | C23 | H10 | H11 | 118.1° | 120.1° |
| C8 | C9 | N1 | C5 | 180.0° | 179.3° |
| C9 | C8 | N7 | C20 | 154.9° | 179.7° |
| C9 | C8 | N7 | C6 | 0.4° | 0.2° |
| C8 | C9 | C5 | C6 | 0.1° | 0.1° |
| C8 | C9 | C5 | H12 | 179.9° | 179.9° |
| N7 | C8 | C9 | N1 | 179.7° | 179.7° |
| C8 | N7 | C20 | C6 | 152.0° | 179.9° |
| C8 | N7 | C20 | C21 | 119.6° | 85.0° |
| N7 | C8 | C9 | C5 | 0.3° | 0.2° |
| C8 | N7 | C6 | C5 | 0.4° | 0.1° |
| C8 | N7 | C20 | H4 | 120.2° | 34.9° |
| C8 | N7 | C20 | H5 | 0.6° | 155.0° |
| C8 | N7 | C6 | H13 | 179.7° | 179.8° |
| N1 | C9 | C5 | C6 | 180.0° | 179.5° |
| N1 | C9 | C5 | H12 | 0.1° | 0.5° |
| C23 | C22 | C21 | C20 | 112.5° | 180.0° |
| C23 | C22 | C21 | H8 | 120.4° | 120.0° |
| C23 | C22 | C21 | H9 | 120.4° | 120.0° |
| C23 | C22 | C21 | H6 | 127.0° | 60.0° |
| C23 | C22 | C21 | H7 | 8.0° | 60.0° |
| C23 | C22 | H8 | H9 | 118.7° | 120.0° |
| C22 | C23 | H10 | H11 | 118.1° | 119.9° |
| N7 | C20 | C21 | H4 | 120.2° | 120.0° |
| N7 | C20 | C21 | H5 | 120.2° | 120.0° |
| N7 | C20 | C21 | C22 | 82.9° | 180.0° |
| C20 | N7 | C6 | C5 | 155.3° | 179.8° |
| N7 | C20 | H4 | H5 | 119.5° | 120.0° |
| N7 | C20 | C21 | H6 | 37.5° | 60.0° |
| N7 | C20 | C21 | H7 | 156.6° | 60.0° |
| C20 | N7 | C6 | H13 | 24.7° | 0.3° |
| C20 | C21 | C22 | H6 | 120.5° | 120.0° |
| C20 | C21 | C22 | H7 | 120.5° | 120.0° |
| C21 | C20 | N7 | C6 | 32.4° | 95.0° |
| C21 | C20 | H4 | H5 | 119.5° | 120.0° |
| C20 | C21 | H6 | H7 | 118.6° | 120.0° |
| C20 | C21 | C22 | H8 | 127.1° | 60.0° |
| C20 | C21 | C22 | H9 | 7.9° | 60.0° |
| C22 | C21 | C20 | H4 | 156.9° | 60.0° |
| C22 | C21 | C20 | H5 | 37.2° | 60.0° |
| C22 | C21 | H6 | H7 | 118.6° | 120.0° |
| C21 | C22 | H8 | H9 | 118.7° | 120.0° |
| C21 | C22 | C23 | H10 | 49.7° | 60.0° |
| C21 | C22 | C23 | H11 | 69.1° | 60.0° |
| C9 | C5 | C6 | N7 | 0.2° | 0.0° |
| C9 | C5 | C6 | H12 | 180.0° | 179.9° |
| C9 | C5 | C6 | H13 | 179.8° | 179.9° |
| N7 | C6 | C5 | H13 | 180.0° | 179.9° |
| C6 | N7 | C20 | H4 | 87.8° | 145.0° |
| C6 | N7 | C20 | H5 | 152.6° | 24.9° |
| N7 | C6 | C5 | H12 | 179.8° | 180.0° |
| H1 | C14 | C16 | H3 | 0.0° | 0.0° |
| H4 | C20 | C21 | H6 | 82.7° | 60.0° |
| H4 | C20 | C21 | H7 | 36.4° | 180.0° |
| H5 | C20 | C21 | H6 | 157.7° | 180.0° |
| H5 | C20 | C21 | H7 | 83.2° | 59.9° |
| H6 | C21 | C22 | H8 | 6.6° | 180.0° |
| H6 | C21 | C22 | H9 | 112.5° | 60.0° |
| H7 | C21 | C22 | H8 | 112.5° | 60.0° |
| H7 | C21 | C22 | H9 | 128.4° | 180.0° |
| H8 | C22 | C23 | H10 | 170.2° | 180.0° |
| H8 | C22 | C23 | H11 | 51.3° | 60.1° |
| H9 | C22 | C23 | H10 | 70.7° | 60.0° |
| H9 | C22 | C23 | H11 | 170.4° | 179.9° |
| H12 | C5 | C6 | H13 | 0.2° | 0.0° |
