Y5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | trip | 1.14Å | 1.14Å | |
| C02 | C03 | sing | 1.43Å | 1.43Å | |
| C04 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.33Å | Aromatic |
| C03 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| N05 | C06 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N08 | sing | 1.40Å | 1.41Å | |
| N08 | C09 | sing | 1.35Å | 1.35Å | |
| O10 | C09 | doub | 1.22Å | 1.23Å | |
| C09 | C11 | sing | 1.48Å | 1.50Å | |
| O16 | 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 | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.48Å | 1.46Å | |
| N14 | O15 | doub | 1.22Å | 1.23Å | |
| C13 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| N08 | 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) |
| N01 | C02 | C03 | 178.6° | 180.0° |
| C02 | C03 | C04 | 120.7° | 120.5° |
| C02 | C03 | C21 | 120.4° | 120.6° |
| C03 | C04 | N05 | 122.9° | 120.7° |
| C04 | C03 | C21 | 118.9° | 118.9° |
| C03 | C04 | H1 | 118.5° | 119.7° |
| C04 | N05 | C06 | 117.3° | 121.9° |
| N05 | C04 | H1 | 118.6° | 119.6° |
| C03 | C21 | C07 | 118.5° | 118.2° |
| C03 | C21 | H7 | 120.7° | 120.9° |
| N05 | C06 | C07 | 123.9° | 121.0° |
| N05 | C06 | H2 | 118.1° | 119.5° |
| C21 | C07 | C06 | 118.5° | 119.2° |
| C21 | C07 | N08 | 117.6° | 120.4° |
| C07 | C21 | H7 | 120.7° | 120.9° |
| C06 | C07 | N08 | 123.9° | 120.4° |
| C07 | C06 | H2 | 118.1° | 119.5° |
| C07 | N08 | C09 | 124.2° | 120.0° |
| C07 | N08 | H8 | 117.9° | 120.0° |
| N08 | C09 | O10 | 123.1° | 120.0° |
| N08 | C09 | C11 | 115.4° | 120.0° |
| C09 | N08 | H8 | 117.9° | 120.0° |
| O10 | C09 | C11 | 121.3° | 120.0° |
| C09 | C11 | C12 | 118.4° | 120.1° |
| C09 | C11 | C19 | 122.4° | 120.1° |
| O16 | N14 | C13 | 119.0° | 120.0° |
| O16 | N14 | O15 | 123.5° | 120.0° |
| C11 | C12 | C13 | 119.6° | 119.8° |
| C12 | C11 | C19 | 119.0° | 119.7° |
| C11 | C12 | H3 | 120.2° | 120.1° |
| C12 | C13 | N14 | 119.1° | 119.9° |
| C12 | C13 | C17 | 122.0° | 120.2° |
| C13 | C12 | H3 | 120.2° | 120.1° |
| C11 | C19 | C18 | 120.9° | 119.8° |
| C11 | C19 | CL1 | 115.1° | 120.1° |
| C13 | N14 | O15 | 117.5° | 120.0° |
| N14 | C13 | C17 | 118.9° | 119.9° |
| C13 | C17 | C18 | 119.1° | 120.3° |
| C13 | C17 | H4 | 120.4° | 119.9° |
| C19 | C18 | C17 | 119.3° | 120.1° |
| C19 | C18 | H5 | 120.3° | 120.0° |
| C18 | C19 | CL1 | 124.0° | 120.1° |
| C18 | C17 | H4 | 120.4° | 119.8° |
| C17 | C18 | H5 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C04 | 86.5° | 161.3° |
| N01 | C02 | C03 | C21 | 93.3° | 18.4° |
| C02 | C03 | C04 | C21 | 179.8° | 179.7° |
| C02 | C03 | C04 | N05 | 179.5° | 180.0° |
| C02 | C03 | C21 | C07 | 179.4° | 180.0° |
| C02 | C03 | C04 | H1 | 0.5° | 0.1° |
| C02 | C03 | C21 | H7 | 0.5° | 0.0° |
| C03 | C04 | N05 | H1 | 180.0° | 179.9° |
| C03 | C04 | N05 | C06 | 0.7° | 0.0° |
| C04 | C03 | C21 | C07 | 0.3° | 0.3° |
| C04 | C03 | C21 | H7 | 179.7° | 179.7° |
| N05 | C04 | C03 | C21 | 0.3° | 0.3° |
| C04 | N05 | C06 | C07 | 1.2° | 0.3° |
| C04 | N05 | C06 | H2 | 178.9° | 179.9° |
| C03 | C21 | C07 | H7 | 180.0° | 179.9° |
| C03 | C21 | C07 | C06 | 0.8° | 0.0° |
| C03 | C21 | C07 | N08 | 179.0° | 180.0° |
| C21 | C03 | C04 | H1 | 179.7° | 179.8° |
| N05 | C06 | C07 | C21 | 1.2° | 0.2° |
| N05 | C06 | C07 | H2 | 180.0° | 179.8° |
| N05 | C06 | C07 | N08 | 179.4° | 179.7° |
| C06 | N05 | C04 | H1 | 179.4° | 179.9° |
| C21 | C07 | C06 | N08 | 178.2° | 180.0° |
| C21 | C07 | N08 | C09 | 169.1° | 35.0° |
| C21 | C07 | C06 | H2 | 178.8° | 179.9° |
| C21 | C07 | N08 | H8 | 10.9° | 145.0° |
| C06 | C07 | N08 | C09 | 9.1° | 145.0° |
| C06 | C07 | C21 | H7 | 179.3° | 179.9° |
| C06 | C07 | N08 | H8 | 171.0° | 35.0° |
| C07 | N08 | C09 | H8 | 180.0° | 180.0° |
| C07 | N08 | C09 | O10 | 8.2° | 4.7° |
| C07 | N08 | C09 | C11 | 176.2° | 175.3° |
| N08 | C07 | C06 | H2 | 0.6° | 0.1° |
| N08 | C07 | C21 | H7 | 1.0° | 0.1° |
| N08 | C09 | O10 | C11 | 175.3° | 180.0° |
| N08 | C09 | C11 | C12 | 45.3° | 0.3° |
| N08 | C09 | C11 | C19 | 129.0° | 179.9° |
| O10 | C09 | C11 | C12 | 130.4° | 179.8° |
| O10 | C09 | C11 | C19 | 55.3° | 0.0° |
| O10 | C09 | N08 | H8 | 171.8° | 175.3° |
| C09 | C11 | C12 | C19 | 174.5° | 179.8° |
| C09 | C11 | C12 | C13 | 178.3° | 180.0° |
| C09 | C11 | C19 | C18 | 178.1° | 179.7° |
| C09 | C11 | C12 | H3 | 1.7° | 0.0° |
| C11 | C09 | N08 | H8 | 3.8° | 4.7° |
| C09 | C11 | C19 | CL1 | 3.8° | 0.0° |
| O16 | N14 | C13 | C12 | 1.9° | 180.0° |
| O16 | N14 | C13 | O15 | 178.8° | 180.0° |
| O16 | N14 | C13 | C17 | 178.1° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 177.6° | 180.0° |
| C11 | C12 | C13 | C17 | 2.4° | 0.1° |
| C12 | C11 | C19 | C18 | 3.8° | 0.5° |
| C12 | C11 | C19 | CL1 | 178.1° | 179.8° |
| C13 | C12 | C11 | C19 | 3.8° | 0.2° |
| C12 | C13 | N14 | C17 | 180.0° | 180.0° |
| C12 | C13 | N14 | O15 | 179.3° | 0.0° |
| C12 | C13 | C17 | C18 | 0.8° | 0.0° |
| C12 | C13 | C17 | H4 | 179.2° | 179.9° |
| C11 | C19 | C18 | CL1 | 178.0° | 179.8° |
| C11 | C19 | C18 | C17 | 2.2° | 0.6° |
| C19 | C11 | C12 | H3 | 176.2° | 179.8° |
| C11 | C19 | C18 | H5 | 177.8° | 179.7° |
| N14 | C13 | C17 | C18 | 179.2° | 180.0° |
| N14 | C13 | C12 | H3 | 2.4° | 0.0° |
| N14 | C13 | C17 | H4 | 0.8° | 0.0° |
| O15 | N14 | C13 | C17 | 0.7° | 180.0° |
| C13 | C17 | C18 | C19 | 0.7° | 0.3° |
| C13 | C17 | C18 | H4 | 180.0° | 180.0° |
| C17 | C13 | C12 | H3 | 177.6° | 180.0° |
| C13 | C17 | C18 | H5 | 179.3° | 180.0° |
| C19 | C18 | C17 | H5 | 180.0° | 179.7° |
| C19 | C18 | C17 | H4 | 179.3° | 179.7° |
| C17 | C18 | C19 | CL1 | 179.8° | 179.7° |
| H4 | C17 | C18 | H5 | 0.7° | 0.0° |
| H5 | C18 | C19 | CL1 | 0.2° | 0.0° |
