C9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | N | sing | 1.46Å | 1.47Å | |
| O3 | C17 | doub | 1.22Å | 1.22Å | |
| N | C17 | sing | 1.35Å | 1.40Å | |
| N | C2 | sing | 1.36Å | 1.38Å | |
| C17 | C16 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.34Å | 1.33Å | |
| C3 | C4 | sing | 1.46Å | 1.44Å | |
| C16 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C16 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| N4 | C7 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C8 | sing | 1.34Å | 1.37Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C9 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.40Å | 1.44Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | F | sing | 1.35Å | 1.35Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | O4 | sing | 1.36Å | 1.36Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C | O1 | sing | 1.34Å | 58.62Å | |
| C | O2 | doub | 1.21Å | 58.62Å | |
| O1 | H7 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 112.5° | 109.5° |
| C | C1 | H10 | 108.7° | 109.5° |
| C | C1 | H11 | 108.7° | 109.5° |
| C1 | C | O1 | 119.9° | 120.0° |
| C1 | C | O2 | 119.9° | 120.0° |
| C1 | N | C17 | 118.4° | 118.9° |
| C1 | N | C2 | 119.0° | 118.8° |
| N | C1 | H10 | 108.7° | 109.5° |
| N | C1 | H11 | 108.7° | 109.5° |
| O3 | C17 | N | 120.4° | 120.3° |
| O3 | C17 | C16 | 124.6° | 120.4° |
| C17 | N | C2 | 122.6° | 122.3° |
| N | C17 | C16 | 115.0° | 119.3° |
| N | C2 | C3 | 122.9° | 122.3° |
| N | C2 | H12 | 118.5° | 118.9° |
| C17 | C16 | N4 | 116.9° | 121.8° |
| C17 | C16 | C4 | 121.3° | 118.0° |
| C2 | C3 | C4 | 120.4° | 119.4° |
| C3 | C2 | H12 | 118.5° | 118.8° |
| C2 | C3 | H13 | 119.8° | 120.3° |
| C3 | C4 | C16 | 117.8° | 118.6° |
| C3 | C4 | C5 | 124.9° | 122.0° |
| C4 | C3 | H13 | 119.8° | 120.3° |
| N4 | C16 | C4 | 121.9° | 120.2° |
| C16 | N4 | C7 | 119.3° | 121.2° |
| C16 | C4 | C5 | 117.3° | 119.4° |
| N4 | C7 | C8 | 116.5° | 119.3° |
| N4 | C7 | C6 | 122.5° | 121.4° |
| C4 | C5 | C6 | 120.9° | 118.1° |
| C4 | C5 | H1 | 119.5° | 120.9° |
| C8 | C7 | C6 | 121.0° | 119.3° |
| C7 | C8 | N3 | 122.8° | 125.7° |
| C7 | C8 | C9 | 129.7° | 125.7° |
| C7 | C6 | C5 | 118.1° | 119.7° |
| C7 | C6 | H2 | 120.9° | 120.1° |
| C8 | N3 | N2 | 109.6° | 109.7° |
| N3 | C8 | C9 | 107.4° | 108.6° |
| N3 | N2 | N1 | 107.2° | 108.3° |
| C6 | C5 | H1 | 119.6° | 120.9° |
| C5 | C6 | H2 | 121.0° | 120.2° |
| C8 | C9 | N1 | 105.8° | 106.7° |
| C8 | C9 | H3 | 127.1° | 126.6° |
| N2 | N1 | C9 | 110.0° | 106.7° |
| N2 | N1 | C10 | 120.0° | 126.7° |
| C9 | N1 | C10 | 130.0° | 126.6° |
| N1 | C9 | H3 | 127.1° | 126.6° |
| N1 | C10 | C15 | 118.1° | 120.0° |
| N1 | C10 | C11 | 121.9° | 120.0° |
| C15 | C10 | C11 | 119.9° | 120.0° |
| C10 | C15 | C14 | 118.8° | 119.9° |
| C10 | C15 | H6 | 120.6° | 120.1° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C10 | C11 | H4 | 119.9° | 120.0° |
| C15 | C14 | F | 119.6° | 120.0° |
| C15 | C14 | C13 | 123.3° | 120.0° |
| C14 | C15 | H6 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.9° | 120.1° |
| C12 | C11 | H4 | 119.9° | 120.0° |
| C11 | C12 | H5 | 119.6° | 120.0° |
| F | C14 | C13 | 117.1° | 120.0° |
| C14 | C13 | C12 | 116.9° | 120.0° |
| C14 | C13 | O4 | 122.6° | 120.1° |
| C12 | C13 | O4 | 120.5° | 120.0° |
| C13 | C12 | H5 | 119.5° | 120.0° |
| C13 | O4 | H14 | 109.5° | 114.0° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| O1 | C | O2 | 0.0° | 120.0° |
| C | O1 | H7 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H10 | 120.4° | 120.0° |
| C | C1 | N | H11 | 120.4° | 120.0° |
| C | C1 | N | C17 | 84.8° | 90.0° |
| C | C1 | N | C2 | 95.3° | 90.2° |
| C | C1 | H10 | H11 | 118.6° | 120.0° |
| C1 | C | O1 | O2 | 90.0° | 179.9° |
| C1 | C | O1 | H7 | 90.0° | 180.0° |
| C1 | N | C17 | O3 | 0.0° | 0.0° |
| C1 | N | C17 | C2 | 179.9° | 179.9° |
| C1 | N | C17 | C16 | 180.0° | 180.0° |
| C1 | N | C2 | C3 | 179.9° | 180.0° |
| N | C1 | H10 | H11 | 118.6° | 120.0° |
| C1 | N | C2 | H12 | 0.0° | 0.1° |
| N | C1 | C | O1 | 13.5° | 180.0° |
| N | C1 | C | O2 | 13.5° | 0.1° |
| O3 | C17 | N | C16 | 180.0° | 180.0° |
| O3 | C17 | N | C2 | 179.8° | 179.8° |
| O3 | C17 | C16 | N4 | 0.1° | 0.0° |
| O3 | C17 | C16 | C4 | 179.9° | 180.0° |
| C17 | N | C2 | C3 | 0.1° | 0.1° |
| N | C17 | C16 | N4 | 179.9° | 180.0° |
| N | C17 | C16 | C4 | 0.1° | 0.1° |
| C17 | N | C1 | H10 | 154.7° | 150.0° |
| C17 | N | C1 | H11 | 35.6° | 30.0° |
| C17 | N | C2 | H12 | 179.9° | 180.0° |
| C2 | N | C17 | C16 | 0.1° | 0.1° |
| N | C2 | C3 | H12 | 180.0° | 179.9° |
| N | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | N | C1 | H10 | 25.2° | 29.8° |
| C2 | N | C1 | H11 | 144.3° | 149.8° |
| N | C2 | C3 | H13 | 179.9° | 179.9° |
| C17 | C16 | C4 | C3 | 0.0° | 0.3° |
| C17 | C16 | N4 | C4 | 179.9° | 180.0° |
| C17 | C16 | N4 | C7 | 179.8° | 179.9° |
| C17 | C16 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C4 | H13 | 180.0° | 180.0° |
| C2 | C3 | C4 | C16 | 0.1° | 0.3° |
| C2 | C3 | C4 | C5 | 180.0° | 179.9° |
| C3 | C4 | C16 | N4 | 180.0° | 179.8° |
| C3 | C4 | C16 | C5 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 180.0° | 179.7° |
| C3 | C4 | C5 | H1 | 0.0° | 0.3° |
| C4 | C3 | C2 | H12 | 180.0° | 179.8° |
| N4 | C16 | C4 | C5 | 0.0° | 0.1° |
| C16 | N4 | C7 | C8 | 179.9° | 180.0° |
| C16 | N4 | C7 | C6 | 0.5° | 0.1° |
| C4 | C16 | N4 | C7 | 0.3° | 0.1° |
| C16 | C4 | C5 | C6 | 0.0° | 0.0° |
| C16 | C4 | C5 | H1 | 180.0° | 180.0° |
| C16 | C4 | C3 | H13 | 179.9° | 179.7° |
| N4 | C7 | C8 | C6 | 179.4° | 179.9° |
| N4 | C7 | C8 | N3 | 11.8° | 179.9° |
| N4 | C7 | C6 | C5 | 0.5° | 0.0° |
| N4 | C7 | C8 | C9 | 168.5° | 0.1° |
| N4 | C7 | C6 | H2 | 179.5° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | H13 | 0.0° | 0.0° |
| C7 | C8 | N3 | C9 | 179.7° | 179.9° |
| C7 | C8 | N3 | N2 | 179.9° | 179.8° |
| C8 | C7 | C6 | C5 | 179.8° | 180.0° |
| C7 | C8 | C9 | N1 | 179.9° | 180.0° |
| C8 | C7 | C6 | H2 | 0.2° | 0.0° |
| C7 | C8 | C9 | H3 | 0.0° | 0.2° |
| C6 | C7 | C8 | N3 | 167.5° | 0.2° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 12.1° | 180.0° |
| C7 | C6 | C5 | H1 | 179.8° | 180.0° |
| C8 | N3 | N2 | N1 | 0.1° | 0.1° |
| N3 | C8 | C9 | N1 | 0.2° | 0.1° |
| N3 | C8 | C9 | H3 | 179.8° | 180.0° |
| N2 | N3 | C8 | C9 | 0.2° | 0.0° |
| N3 | N2 | N1 | C9 | 0.1° | 0.2° |
| N3 | N2 | N1 | C10 | 179.0° | 180.0° |
| C8 | C9 | N1 | N2 | 0.2° | 0.2° |
| C8 | C9 | N1 | H3 | 180.0° | 179.9° |
| C8 | C9 | N1 | C10 | 179.0° | 180.0° |
| N2 | N1 | C9 | C10 | 178.8° | 179.8° |
| N2 | N1 | C10 | C15 | 30.7° | 0.0° |
| N2 | N1 | C10 | C11 | 149.8° | 179.8° |
| N2 | N1 | C9 | H3 | 179.8° | 179.9° |
| C9 | N1 | C10 | C15 | 148.0° | 179.8° |
| C9 | N1 | C10 | C11 | 31.5° | 0.0° |
| N1 | C10 | C15 | C11 | 179.5° | 179.8° |
| N1 | C10 | C15 | C14 | 179.9° | 179.8° |
| N1 | C10 | C11 | C12 | 179.7° | 179.9° |
| C10 | N1 | C9 | H3 | 1.0° | 0.1° |
| N1 | C10 | C11 | H4 | 0.2° | 0.0° |
| N1 | C10 | C15 | H6 | 0.1° | 0.0° |
| C10 | C15 | C14 | H6 | 180.0° | 179.8° |
| C15 | C10 | C11 | C12 | 0.3° | 0.2° |
| C10 | C15 | C14 | F | 179.7° | 179.7° |
| C10 | C15 | C14 | C13 | 0.5° | 0.5° |
| C15 | C10 | C11 | H4 | 179.7° | 179.7° |
| C11 | C10 | C15 | C14 | 0.4° | 0.5° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H5 | 179.8° | 180.0° |
| C11 | C10 | C15 | H6 | 179.6° | 179.7° |
| C15 | C14 | F | C13 | 179.3° | 179.7° |
| C15 | C14 | C13 | C12 | 0.4° | 0.3° |
| C15 | C14 | C13 | O4 | 179.9° | 179.7° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | O4 | 179.9° | 180.0° |
| F | C14 | C13 | C12 | 179.6° | 180.0° |
| F | C14 | C13 | O4 | 0.7° | 0.0° |
| F | C14 | C15 | H6 | 0.3° | 0.0° |
| C14 | C13 | C12 | O4 | 179.7° | 180.0° |
| C14 | C13 | C12 | H5 | 179.8° | 179.9° |
| C13 | C14 | C15 | H6 | 179.6° | 179.7° |
| C14 | C13 | O4 | H14 | 180.0° | 90.0° |
| C13 | C12 | C11 | H4 | 179.8° | 180.0° |
| C12 | C13 | O4 | H14 | 0.3° | 90.0° |
| O4 | C13 | C12 | H5 | 0.1° | 0.1° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H4 | C11 | C12 | H5 | 0.2° | 0.1° |
| H10 | C1 | C | O1 | 133.9° | 60.0° |
| H10 | C1 | C | O2 | 133.9° | 119.9° |
| H11 | C1 | C | O1 | 107.0° | 60.0° |
| H11 | C1 | C | O2 | 107.0° | 120.1° |
| H12 | C2 | C3 | H13 | 0.0° | 0.2° |
| O2 | C | O1 | H7 | 90.0° | 0.1° |
