F1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | C04 | sing | 1.51Å | 1.54Å | |
| O16 | N15 | sing | 1.42Å | 1.37Å | |
| N15 | C13 | sing | 1.35Å | 1.42Å | |
| C13 | C10 | sing | 1.48Å | 1.49Å | |
| C13 | O14 | doub | 1.22Å | 1.25Å | |
| C04 | N23 | sing | 1.34Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| N23 | C22 | doub | 1.32Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.37Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | N06 | sing | 1.39Å | 1.41Å | |
| N06 | C05 | sing | 1.40Å | 1.41Å | |
| C05 | N17 | sing | 1.37Å | 1.42Å | Aromatic |
| C22 | N17 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.45Å | Aromatic |
| N17 | C18 | sing | 1.37Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| N06 | H14 | sing | 0.97Å | 1.00Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 118.0° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C01 | C02 | H6 | 107.3° | 109.5° |
| C01 | C02 | H17 | 107.3° | 109.5° |
| C02 | C03 | C04 | 121.1° | 109.5° |
| C03 | C02 | H6 | 107.3° | 109.5° |
| C02 | C03 | H7 | 106.5° | 109.5° |
| C03 | C02 | H17 | 107.3° | 109.5° |
| C02 | C03 | H18 | 106.5° | 109.4° |
| C03 | C04 | N23 | 123.4° | 125.7° |
| C03 | C04 | C05 | 126.7° | 125.7° |
| C04 | C03 | H7 | 106.5° | 109.5° |
| C04 | C03 | H18 | 106.5° | 109.4° |
| O16 | N15 | C13 | 117.5° | 119.9° |
| O16 | N15 | H15 | 121.3° | 120.0° |
| N15 | O16 | H16 | 109.5° | 114.0° |
| N15 | C13 | C10 | 123.4° | 120.0° |
| N15 | C13 | O14 | 116.5° | 120.0° |
| C13 | N15 | H15 | 121.3° | 120.0° |
| C10 | C13 | O14 | 120.0° | 120.0° |
| C13 | C10 | C11 | 123.4° | 120.1° |
| C13 | C10 | C09 | 121.4° | 120.1° |
| N23 | C04 | C05 | 109.9° | 108.6° |
| C04 | N23 | C22 | 105.8° | 109.3° |
| C04 | C05 | N06 | 130.2° | 126.5° |
| C04 | C05 | N17 | 106.0° | 107.1° |
| C10 | C11 | C12 | 122.9° | 120.0° |
| C11 | C10 | C09 | 115.1° | 119.8° |
| C10 | C11 | H10 | 118.6° | 120.0° |
| C11 | C12 | C07 | 121.4° | 120.0° |
| C12 | C11 | H10 | 118.6° | 120.0° |
| C11 | C12 | H11 | 119.3° | 120.0° |
| C10 | C09 | C08 | 122.8° | 119.9° |
| C10 | C09 | H9 | 118.6° | 120.0° |
| C12 | C07 | C08 | 116.8° | 120.1° |
| C12 | C07 | N06 | 123.1° | 119.9° |
| C07 | C12 | H11 | 119.3° | 120.0° |
| N23 | C22 | N17 | 111.0° | 108.1° |
| N23 | C22 | C21 | 129.7° | 132.4° |
| C09 | C08 | C07 | 121.0° | 120.1° |
| C09 | C08 | H8 | 119.5° | 120.0° |
| C08 | C09 | H9 | 118.6° | 120.1° |
| C08 | C07 | N06 | 120.2° | 120.0° |
| C07 | C08 | H8 | 119.5° | 120.0° |
| C07 | N06 | C05 | 122.2° | 120.0° |
| C07 | N06 | H14 | 118.9° | 120.0° |
| N06 | C05 | N17 | 123.9° | 126.5° |
| C05 | N06 | H14 | 118.9° | 120.0° |
| C05 | N17 | C22 | 107.3° | 107.0° |
| C05 | N17 | C18 | 131.0° | 132.6° |
| N17 | C22 | C21 | 119.3° | 119.5° |
| C22 | N17 | C18 | 121.7° | 120.4° |
| C22 | C21 | C20 | 118.5° | 119.4° |
| C22 | C21 | H2 | 120.7° | 120.3° |
| N17 | C18 | C19 | 118.2° | 120.6° |
| N17 | C18 | H12 | 120.9° | 119.7° |
| C21 | C20 | C19 | 121.0° | 119.8° |
| C21 | C20 | H1 | 119.5° | 120.1° |
| C20 | C21 | H2 | 120.7° | 120.4° |
| C18 | C19 | C20 | 121.3° | 120.4° |
| C19 | C18 | H12 | 120.9° | 119.7° |
| C18 | C19 | H13 | 119.4° | 119.9° |
| C19 | C20 | H1 | 119.5° | 120.1° |
| C20 | C19 | H13 | 119.4° | 119.8° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C02 | H17 | 109.5° | 109.4° |
| H7 | C03 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H6 | 121.2° | 120.0° |
| C01 | C02 | C03 | H17 | 121.2° | 120.0° |
| C01 | C02 | C03 | C04 | 6.9° | 180.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.1° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | H6 | H17 | 116.1° | 120.0° |
| C01 | C02 | C03 | H7 | 128.6° | 60.0° |
| C01 | C02 | C03 | H18 | 114.7° | 60.0° |
| C02 | C03 | C04 | H7 | 121.6° | 120.0° |
| C02 | C03 | C04 | H18 | 121.6° | 120.0° |
| C02 | C03 | C04 | N23 | 60.7° | 90.0° |
| C02 | C03 | C04 | C05 | 120.5° | 90.0° |
| C03 | C02 | C01 | H3 | 180.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 180.0° |
| C03 | C02 | C01 | H5 | 60.0° | 60.0° |
| C03 | C02 | H6 | H17 | 116.2° | 120.0° |
| C02 | C03 | H7 | H18 | 114.7° | 120.0° |
| C03 | C04 | N23 | C05 | 179.0° | 180.0° |
| C03 | C04 | N23 | C22 | 179.7° | 180.0° |
| C03 | C04 | C05 | N06 | 1.4° | 0.0° |
| C03 | C04 | C05 | N17 | 179.7° | 180.0° |
| C04 | C03 | C02 | H6 | 114.3° | 60.0° |
| C04 | C03 | H7 | H18 | 114.7° | 120.0° |
| C04 | C03 | C02 | H17 | 128.1° | 60.0° |
| O16 | N15 | C13 | H15 | 180.0° | 180.0° |
| O16 | N15 | C13 | C10 | 179.9° | 180.0° |
| O16 | N15 | C13 | O14 | 0.1° | 0.1° |
| N15 | C13 | C10 | O14 | 179.9° | 179.9° |
| N15 | C13 | C10 | C11 | 9.9° | 0.2° |
| N15 | C13 | C10 | C09 | 170.1° | 180.0° |
| C13 | N15 | O16 | H16 | 0.0° | 180.0° |
| C13 | C10 | C11 | C09 | 180.0° | 179.7° |
| C13 | C10 | C11 | C12 | 180.0° | 179.7° |
| C13 | C10 | C09 | C08 | 180.0° | 180.0° |
| C13 | C10 | C09 | H9 | 0.0° | 0.0° |
| C13 | C10 | C11 | H10 | 0.0° | 0.2° |
| C10 | C13 | N15 | H15 | 0.1° | 0.0° |
| O14 | C13 | C10 | C11 | 170.2° | 179.7° |
| O14 | C13 | C10 | C09 | 9.8° | 0.0° |
| O14 | C13 | N15 | H15 | 180.0° | 179.9° |
| N23 | C04 | C05 | N06 | 179.7° | 180.0° |
| N23 | C04 | C05 | N17 | 0.8° | 0.0° |
| C04 | N23 | C22 | N17 | 0.3° | 0.0° |
| C04 | N23 | C22 | C21 | 179.8° | 180.0° |
| N23 | C04 | C03 | H7 | 61.0° | 30.0° |
| N23 | C04 | C03 | H18 | 177.7° | 150.1° |
| C05 | C04 | N23 | C22 | 0.6° | 0.0° |
| C04 | C05 | N06 | C07 | 91.0° | 111.4° |
| C04 | C05 | N06 | N17 | 178.7° | 179.9° |
| C04 | C05 | N17 | C22 | 0.6° | 0.0° |
| C04 | C05 | N17 | C18 | 179.7° | 179.6° |
| C05 | C04 | C03 | H7 | 117.9° | 150.0° |
| C04 | C05 | N06 | H14 | 89.0° | 68.7° |
| C05 | C04 | C03 | H18 | 1.2° | 29.9° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C07 | 0.1° | 0.1° |
| C11 | C10 | C09 | C08 | 0.1° | 0.3° |
| C11 | C10 | C09 | H9 | 179.9° | 179.8° |
| C10 | C11 | C12 | H11 | 179.9° | 180.0° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C11 | C12 | C07 | H11 | 180.0° | 179.9° |
| C11 | C12 | C07 | C08 | 0.1° | 0.2° |
| C11 | C12 | C07 | N06 | 179.9° | 179.7° |
| C10 | C09 | C08 | H9 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.1° | 0.6° |
| C10 | C09 | C08 | H8 | 180.0° | 179.4° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C12 | C07 | C08 | C09 | 0.0° | 0.5° |
| C12 | C07 | C08 | N06 | 180.0° | 179.5° |
| C12 | C07 | N06 | C05 | 6.7° | 6.0° |
| C12 | C07 | C08 | H8 | 179.9° | 179.5° |
| C07 | C12 | C11 | H10 | 179.9° | 180.0° |
| C12 | C07 | N06 | H14 | 173.3° | 174.1° |
| N23 | C22 | N17 | C05 | 0.2° | 0.0° |
| N23 | C22 | N17 | C21 | 179.9° | 180.0° |
| N23 | C22 | N17 | C18 | 180.0° | 179.7° |
| N23 | C22 | C21 | C20 | 179.9° | 180.0° |
| N23 | C22 | C21 | H2 | 0.1° | 0.0° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | N06 | 180.0° | 180.0° |
| C08 | C07 | N06 | C05 | 173.3° | 174.6° |
| C07 | C08 | C09 | H9 | 180.0° | 179.5° |
| C08 | C07 | C12 | H11 | 179.9° | 179.7° |
| C08 | C07 | N06 | H14 | 6.7° | 5.3° |
| C07 | N06 | C05 | H14 | 180.0° | 179.9° |
| C07 | N06 | C05 | N17 | 87.7° | 68.5° |
| N06 | C07 | C08 | H8 | 0.1° | 0.0° |
| N06 | C07 | C12 | H11 | 0.1° | 0.2° |
| N06 | C05 | N17 | C22 | 179.6° | 180.0° |
| N06 | C05 | N17 | C18 | 0.7° | 0.4° |
| C05 | N17 | C22 | C18 | 179.8° | 179.7° |
| C05 | N17 | C22 | C21 | 179.7° | 180.0° |
| C05 | N17 | C18 | C19 | 179.7° | 179.9° |
| C05 | N17 | C18 | H12 | 0.3° | 0.5° |
| N17 | C05 | N06 | H14 | 92.3° | 111.4° |
| N17 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | N17 | C18 | C19 | 0.1° | 0.6° |
| N17 | C22 | C21 | H2 | 180.0° | 179.9° |
| C22 | N17 | C18 | H12 | 179.9° | 180.0° |
| C21 | C22 | N17 | C18 | 0.0° | 0.3° |
| C22 | C21 | C20 | H2 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C22 | C21 | C20 | H1 | 180.0° | 179.7° |
| N17 | C18 | C19 | H12 | 180.0° | 179.4° |
| N17 | C18 | C19 | C20 | 0.0° | 0.6° |
| N17 | C18 | C19 | H13 | 180.0° | 179.4° |
| C21 | C20 | C19 | C18 | 0.0° | 0.2° |
| C21 | C20 | C19 | H1 | 180.0° | 179.7° |
| C21 | C20 | C19 | H13 | 180.0° | 179.8° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | H1 | 180.0° | 179.9° |
| C19 | C20 | C21 | H2 | 180.0° | 180.0° |
| C20 | C19 | C18 | H12 | 180.0° | 179.9° |
| H1 | C20 | C21 | H2 | 0.0° | 0.3° |
| H1 | C20 | C19 | H13 | 0.0° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 119.9° |
| H3 | C01 | C02 | H6 | 58.8° | 180.0° |
| H3 | C01 | C02 | H17 | 58.8° | 60.1° |
| H4 | C01 | C02 | H6 | 61.2° | 60.0° |
| H4 | C01 | C02 | H17 | 178.8° | 60.0° |
| H5 | C01 | C02 | H6 | 178.8° | 60.1° |
| H5 | C01 | C02 | H17 | 61.2° | 180.0° |
| H6 | C02 | C03 | H7 | 7.4° | 180.0° |
| H6 | C02 | C03 | H18 | 124.1° | 60.0° |
| H7 | C03 | C02 | H17 | 110.2° | 60.0° |
| H8 | C08 | C09 | H9 | 0.0° | 0.5° |
| H10 | C11 | C12 | H11 | 0.1° | 0.1° |
| H12 | C18 | C19 | H13 | 0.0° | 0.0° |
| H15 | N15 | O16 | H16 | 180.0° | 0.0° |
| H17 | C02 | C03 | H18 | 6.5° | 179.9° |
