Y5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F09 | C08 | sing | 1.35Å | 1.36Å | |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | N06 | sing | 1.32Å | 1.33Å | Aromatic |
| C08 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| N06 | C05 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.42Å | |
| N03 | C02 | sing | 1.35Å | 1.36Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C02 | C11 | sing | 1.48Å | 1.50Å | |
| O15 | N14 | sing | 1.22Å | 1.22Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| N14 | C13 | sing | 1.48Å | 1.46Å | |
| N14 | O16 | doub | 1.22Å | 1.22Å | |
| C13 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| N03 | H8 | sing | 0.97Å | 1.00Å | |
| C19 | CL1 | sing | 1.74Å | 1.77Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F09 | C08 | C07 | 120.6° | 120.4° |
| F09 | C08 | C10 | 120.3° | 120.4° |
| C08 | C07 | N06 | 122.4° | 120.9° |
| C07 | C08 | C10 | 119.1° | 119.2° |
| C08 | C07 | H5 | 118.8° | 119.5° |
| C07 | N06 | C05 | 118.4° | 121.8° |
| N06 | C07 | H5 | 118.8° | 119.5° |
| C08 | C10 | C04 | 119.6° | 118.3° |
| C08 | C10 | H1 | 120.2° | 120.8° |
| N06 | C05 | C04 | 123.4° | 120.7° |
| N06 | C05 | H4 | 118.3° | 119.6° |
| C10 | C04 | C05 | 117.1° | 119.1° |
| C10 | C04 | N03 | 120.9° | 120.5° |
| C04 | C10 | H1 | 120.2° | 120.8° |
| C05 | C04 | N03 | 121.9° | 120.4° |
| C04 | C05 | H4 | 118.3° | 119.7° |
| C04 | N03 | C02 | 127.3° | 120.0° |
| C04 | N03 | H8 | 116.3° | 120.0° |
| N03 | C02 | O01 | 123.9° | 120.0° |
| N03 | C02 | C11 | 116.4° | 120.0° |
| C02 | N03 | H8 | 116.4° | 120.0° |
| O01 | C02 | C11 | 119.4° | 120.0° |
| C02 | C11 | C12 | 119.4° | 120.2° |
| C02 | C11 | C19 | 121.9° | 120.2° |
| O15 | N14 | C13 | 118.4° | 119.9° |
| O15 | N14 | O16 | 123.7° | 120.1° |
| C11 | C12 | C13 | 119.4° | 119.9° |
| C12 | C11 | C19 | 118.6° | 119.6° |
| C11 | C12 | H6 | 120.3° | 120.0° |
| C12 | C13 | N14 | 118.3° | 120.0° |
| C12 | C13 | C17 | 122.9° | 120.2° |
| C13 | C12 | H6 | 120.3° | 120.0° |
| C11 | C19 | C18 | 121.2° | 119.8° |
| C11 | C19 | CL1 | 120.2° | 120.1° |
| C13 | N14 | O16 | 117.8° | 120.0° |
| N14 | C13 | C17 | 118.7° | 119.9° |
| C13 | C17 | C18 | 117.9° | 120.3° |
| C13 | C17 | H2 | 121.1° | 119.9° |
| C19 | C18 | C17 | 119.8° | 120.2° |
| C19 | C18 | H3 | 120.1° | 119.9° |
| C18 | C19 | CL1 | 118.5° | 120.1° |
| C18 | C17 | H2 | 121.0° | 119.8° |
| C17 | C18 | H3 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F09 | C08 | C07 | C10 | 179.8° | 179.5° |
| F09 | C08 | C07 | N06 | 179.5° | 180.0° |
| F09 | C08 | C10 | C04 | 179.2° | 179.4° |
| F09 | C08 | C10 | H1 | 0.8° | 0.3° |
| F09 | C08 | C07 | H5 | 0.5° | 0.5° |
| C08 | C07 | N06 | H5 | 180.0° | 179.5° |
| C08 | C07 | N06 | C05 | 1.2° | 0.8° |
| C07 | C08 | C10 | C04 | 1.0° | 0.0° |
| C07 | C08 | C10 | H1 | 179.0° | 179.8° |
| N06 | C07 | C08 | C10 | 0.7° | 0.5° |
| C07 | N06 | C05 | C04 | 2.0° | 0.6° |
| C07 | N06 | C05 | H4 | 178.0° | 179.4° |
| C08 | C10 | C04 | H1 | 180.0° | 179.7° |
| C08 | C10 | C04 | C05 | 1.8° | 0.3° |
| C08 | C10 | C04 | N03 | 177.7° | 179.7° |
| C10 | C08 | C07 | H5 | 179.3° | 180.0° |
| N06 | C05 | C04 | C10 | 2.3° | 0.0° |
| N06 | C05 | C04 | H4 | 180.0° | 180.0° |
| N06 | C05 | C04 | N03 | 178.3° | 180.0° |
| C05 | N06 | C07 | H5 | 178.9° | 179.7° |
| C10 | C04 | C05 | N03 | 175.9° | 180.0° |
| C10 | C04 | N03 | C02 | 163.9° | 35.0° |
| C10 | C04 | C05 | H4 | 177.7° | 180.0° |
| C10 | C04 | N03 | H8 | 16.1° | 145.1° |
| C05 | C04 | N03 | C02 | 11.9° | 145.0° |
| C05 | C04 | C10 | H1 | 178.3° | 180.0° |
| C05 | C04 | N03 | H8 | 168.1° | 34.9° |
| C04 | N03 | C02 | H8 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 2.0° | 4.7° |
| C04 | N03 | C02 | C11 | 171.9° | 175.3° |
| N03 | C04 | C10 | H1 | 2.3° | 0.0° |
| N03 | C04 | C05 | H4 | 1.7° | 0.0° |
| N03 | C02 | O01 | C11 | 173.7° | 180.0° |
| N03 | C02 | C11 | C12 | 49.4° | 0.9° |
| N03 | C02 | C11 | C19 | 127.5° | 180.0° |
| O01 | C02 | C11 | C12 | 136.5° | 179.1° |
| O01 | C02 | C11 | C19 | 46.6° | 0.0° |
| O01 | C02 | N03 | H8 | 178.0° | 175.3° |
| C02 | C11 | C12 | C19 | 177.0° | 179.2° |
| C02 | C11 | C12 | C13 | 179.7° | 179.8° |
| C02 | C11 | C19 | C18 | 179.6° | 180.0° |
| C02 | C11 | C12 | H6 | 0.3° | 0.9° |
| C11 | C02 | N03 | H8 | 8.1° | 4.7° |
| C02 | C11 | C19 | CL1 | 3.4° | 0.8° |
| O15 | N14 | C13 | C12 | 0.4° | 0.2° |
| O15 | N14 | C13 | O16 | 177.4° | 179.9° |
| O15 | N14 | C13 | C17 | 179.8° | 180.0° |
| C11 | C12 | C13 | H6 | 180.0° | 179.4° |
| C11 | C12 | C13 | N14 | 178.7° | 179.8° |
| C11 | C12 | C13 | C17 | 2.0° | 0.0° |
| C12 | C11 | C19 | C18 | 3.5° | 0.9° |
| C12 | C11 | C19 | CL1 | 179.6° | 180.0° |
| C13 | C12 | C11 | C19 | 3.3° | 0.6° |
| C12 | C13 | N14 | C17 | 179.3° | 179.8° |
| C12 | C13 | N14 | O16 | 177.8° | 179.7° |
| C12 | C13 | C17 | C18 | 0.6° | 0.2° |
| C12 | C13 | C17 | H2 | 179.4° | 179.8° |
| C11 | C19 | C18 | CL1 | 176.2° | 179.2° |
| C11 | C19 | C18 | C17 | 2.2° | 0.6° |
| C11 | C19 | C18 | H3 | 177.8° | 179.5° |
| C19 | C11 | C12 | H6 | 176.7° | 180.0° |
| N14 | C13 | C17 | C18 | 180.0° | 180.0° |
| N14 | C13 | C17 | H2 | 0.0° | 0.0° |
| N14 | C13 | C12 | H6 | 1.3° | 0.4° |
| O16 | N14 | C13 | C17 | 2.9° | 0.1° |
| C13 | C17 | C18 | C19 | 0.7° | 0.1° |
| C13 | C17 | C18 | H2 | 180.0° | 180.0° |
| C13 | C17 | C18 | H3 | 179.3° | 180.0° |
| C17 | C13 | C12 | H6 | 178.0° | 179.4° |
| C19 | C18 | C17 | H3 | 180.0° | 179.9° |
| C19 | C18 | C17 | H2 | 179.3° | 180.0° |
| C17 | C18 | C19 | CL1 | 178.4° | 179.8° |
| H2 | C17 | C18 | H3 | 0.7° | 0.0° |
| H3 | C18 | C19 | CL1 | 1.6° | 0.3° |
