Y90
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | trip | 1.14Å | 1.12Å | |
| C18 | C17 | sing | 1.43Å | 1.53Å | |
| C17 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 1.31Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| N16 | N15 | doub | 1.28Å | 1.34Å | Aromatic |
| C21 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| N15 | C14 | sing | 1.33Å | 1.30Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.45Å | |
| N13 | C22 | sing | 1.47Å | 1.49Å | |
| N13 | C12 | sing | 1.47Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C23 | N10 | sing | 1.47Å | 1.43Å | |
| C11 | N10 | sing | 1.47Å | 1.42Å | |
| N10 | C01 | sing | 1.35Å | 1.45Å | |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C01 | O24 | doub | 1.21Å | 1.20Å | |
| F13 | C25 | sing | 1.35Å | 1.37Å | |
| C02 | C07 | sing | 1.51Å | 1.53Å | |
| C25 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C08 | sing | 1.51Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C08 | C10 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 178.3° | 180.0° |
| C18 | C17 | C20 | 120.0° | 120.1° |
| C18 | C17 | N16 | 118.5° | 120.1° |
| C20 | C17 | N16 | 121.5° | 119.8° |
| C17 | C20 | C21 | 116.4° | 118.0° |
| C17 | C20 | H14 | 121.8° | 121.0° |
| C17 | N16 | N15 | 122.6° | 122.1° |
| C20 | C21 | C14 | 117.8° | 118.1° |
| C21 | C20 | H14 | 121.8° | 121.0° |
| C20 | C21 | H15 | 121.1° | 121.0° |
| N16 | N15 | C14 | 120.0° | 122.2° |
| C21 | C14 | N15 | 121.6° | 119.9° |
| C21 | C14 | N13 | 119.5° | 120.1° |
| C14 | C21 | H15 | 121.1° | 120.9° |
| N15 | C14 | N13 | 118.8° | 120.0° |
| C14 | N13 | C22 | 122.2° | 111.0° |
| C14 | N13 | C12 | 121.8° | 111.0° |
| C22 | N13 | C12 | 111.1° | 111.3° |
| N13 | C22 | C23 | 108.2° | 109.3° |
| N13 | C22 | H16 | 109.8° | 109.5° |
| N13 | C22 | H17 | 109.8° | 109.5° |
| N13 | C12 | C11 | 109.8° | 109.3° |
| N13 | C12 | H12 | 109.4° | 109.5° |
| N13 | C12 | H13 | 109.4° | 109.5° |
| C22 | C23 | N10 | 113.1° | 108.5° |
| C23 | C22 | H16 | 109.8° | 109.5° |
| C23 | C22 | H17 | 109.8° | 109.5° |
| C22 | C23 | H18 | 108.6° | 109.7° |
| C22 | C23 | H19 | 108.6° | 109.6° |
| C12 | C11 | N10 | 108.2° | 108.5° |
| C12 | C11 | H10 | 109.8° | 109.6° |
| C12 | C11 | H11 | 109.8° | 109.8° |
| C11 | C12 | H12 | 109.4° | 109.5° |
| C11 | C12 | H13 | 109.4° | 109.5° |
| C23 | N10 | C11 | 117.5° | 118.2° |
| C23 | N10 | C01 | 121.5° | 120.9° |
| N10 | C23 | H18 | 108.5° | 109.6° |
| N10 | C23 | H19 | 108.5° | 109.6° |
| C11 | N10 | C01 | 121.0° | 120.9° |
| N10 | C11 | H10 | 109.8° | 109.6° |
| N10 | C11 | H11 | 109.8° | 109.7° |
| N10 | C01 | C02 | 116.1° | 120.0° |
| N10 | C01 | O24 | 118.2° | 120.0° |
| C02 | C01 | O24 | 125.7° | 120.0° |
| C01 | C02 | C07 | 110.4° | 109.5° |
| C01 | C02 | H1 | 109.3° | 109.5° |
| C01 | C02 | H2 | 109.2° | 109.5° |
| F13 | C25 | C07 | 119.9° | 120.0° |
| F13 | C25 | C26 | 120.3° | 120.0° |
| C02 | C07 | C25 | 121.4° | 120.1° |
| C02 | C07 | C06 | 117.8° | 120.0° |
| C07 | C02 | H1 | 109.2° | 109.5° |
| C07 | C02 | H2 | 109.2° | 109.5° |
| C07 | C25 | C26 | 119.7° | 120.0° |
| C25 | C07 | C06 | 120.7° | 119.9° |
| C25 | C26 | C04 | 119.8° | 119.9° |
| C25 | C26 | H20 | 120.1° | 120.0° |
| C07 | C06 | C05 | 119.4° | 120.0° |
| C07 | C06 | H4 | 120.3° | 120.0° |
| C26 | C04 | C05 | 120.2° | 120.0° |
| C26 | C04 | C08 | 120.6° | 120.0° |
| C04 | C26 | H20 | 120.1° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C06 | C05 | H3 | 120.0° | 120.0° |
| C05 | C06 | H4 | 120.3° | 120.0° |
| C05 | C04 | C08 | 119.2° | 120.0° |
| C04 | C05 | H3 | 119.9° | 120.0° |
| C04 | C08 | C09 | 120.8° | 117.5° |
| C04 | C08 | C10 | 119.5° | 117.5° |
| C04 | C08 | H5 | 114.9° | 115.6° |
| C08 | C09 | C10 | 60.2° | 60.0° |
| C09 | C08 | C10 | 60.3° | 60.0° |
| C09 | C08 | H5 | 115.3° | 117.5° |
| C08 | C09 | H6 | 120.0° | 117.5° |
| C08 | C09 | H7 | 120.0° | 117.5° |
| C09 | C10 | C08 | 59.6° | 60.0° |
| C10 | C09 | H6 | 120.0° | 117.5° |
| C10 | C09 | H7 | 120.0° | 117.5° |
| C09 | C10 | H8 | 120.1° | 117.5° |
| C09 | C10 | H9 | 120.1° | 117.5° |
| C10 | C08 | H5 | 115.2° | 117.5° |
| C08 | C10 | H8 | 120.1° | 117.5° |
| C08 | C10 | H9 | 120.1° | 117.5° |
| H1 | C02 | H2 | 109.5° | 109.4° |
| H6 | C09 | H7 | 109.5° | 115.6° |
| H8 | C10 | H9 | 109.5° | 115.6° |
| H10 | C11 | H11 | 109.5° | 109.6° |
| H12 | C12 | H13 | 109.5° | 109.6° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | C20 | 26.2° | 82.5° |
| N19 | C18 | C17 | N16 | 154.8° | 97.3° |
| C18 | C17 | C20 | N16 | 178.9° | 179.8° |
| C18 | C17 | C20 | C21 | 178.7° | 180.0° |
| C18 | C17 | N16 | N15 | 179.6° | 180.0° |
| C18 | C17 | C20 | H14 | 1.3° | 0.3° |
| C17 | C20 | C21 | H14 | 180.0° | 179.7° |
| C20 | C17 | N16 | N15 | 0.6° | 0.2° |
| C17 | C20 | C21 | C14 | 0.8° | 0.0° |
| C17 | C20 | C21 | H15 | 179.2° | 179.9° |
| N16 | C17 | C20 | C21 | 0.3° | 0.2° |
| C17 | N16 | N15 | C14 | 1.0° | 0.1° |
| N16 | C17 | C20 | H14 | 179.7° | 180.0° |
| C20 | C21 | C14 | H15 | 180.0° | 179.9° |
| C20 | C21 | C14 | N15 | 0.4° | 0.3° |
| C20 | C21 | C14 | N13 | 179.6° | 180.0° |
| N16 | N15 | C14 | C21 | 0.5° | 0.3° |
| N16 | N15 | C14 | N13 | 178.7° | 180.0° |
| C21 | C14 | N15 | N13 | 179.2° | 179.8° |
| C21 | C14 | N13 | C22 | 28.2° | 180.0° |
| C21 | C14 | N13 | C12 | 178.9° | 55.7° |
| C14 | C21 | C20 | H14 | 179.2° | 179.7° |
| N15 | C14 | N13 | C22 | 152.6° | 0.3° |
| N15 | C14 | N13 | C12 | 0.3° | 124.6° |
| N15 | C14 | C21 | H15 | 179.6° | 179.7° |
| C14 | N13 | C22 | C12 | 155.4° | 124.1° |
| C14 | N13 | C22 | C23 | 149.0° | 172.7° |
| C14 | N13 | C12 | C11 | 143.9° | 172.7° |
| C14 | N13 | C12 | H12 | 96.1° | 52.8° |
| C14 | N13 | C12 | H13 | 23.8° | 67.3° |
| N13 | C14 | C21 | H15 | 0.4° | 0.1° |
| C14 | N13 | C22 | H16 | 29.2° | 67.3° |
| C14 | N13 | C22 | H17 | 91.2° | 52.8° |
| N13 | C22 | C23 | H16 | 119.8° | 119.9° |
| N13 | C22 | C23 | H17 | 119.8° | 119.9° |
| C22 | N13 | C12 | C11 | 60.5° | 63.1° |
| N13 | C22 | C23 | N10 | 50.3° | 53.9° |
| C22 | N13 | C12 | H12 | 59.5° | 177.0° |
| C22 | N13 | C12 | H13 | 179.4° | 56.8° |
| N13 | C22 | H16 | H17 | 120.6° | 120.0° |
| N13 | C22 | C23 | H18 | 70.3° | 65.9° |
| N13 | C22 | C23 | H19 | 170.8° | 173.6° |
| C12 | N13 | C22 | C23 | 55.6° | 63.2° |
| N13 | C12 | C11 | H12 | 120.0° | 119.9° |
| N13 | C12 | C11 | H13 | 120.0° | 119.9° |
| N13 | C12 | C11 | N10 | 56.5° | 53.8° |
| N13 | C12 | C11 | H10 | 176.3° | 173.5° |
| N13 | C12 | C11 | H11 | 63.3° | 66.0° |
| N13 | C12 | H12 | H13 | 119.8° | 120.2° |
| C12 | N13 | C22 | H16 | 175.3° | 56.8° |
| C12 | N13 | C22 | H17 | 64.2° | 176.9° |
| C22 | C23 | N10 | H18 | 120.6° | 119.8° |
| C22 | C23 | N10 | H19 | 120.6° | 119.7° |
| C22 | C23 | N10 | C11 | 52.8° | 51.2° |
| C22 | C23 | N10 | C01 | 128.8° | 128.7° |
| C23 | C22 | H16 | H17 | 120.6° | 120.1° |
| C22 | C23 | H18 | H19 | 118.3° | 120.5° |
| C12 | C11 | N10 | C23 | 54.4° | 51.2° |
| C12 | C11 | N10 | H10 | 119.8° | 119.6° |
| C12 | C11 | N10 | H11 | 119.8° | 119.9° |
| C12 | C11 | N10 | C01 | 127.2° | 128.8° |
| C12 | C11 | H10 | H11 | 120.6° | 120.6° |
| C11 | C12 | H12 | H13 | 119.9° | 120.1° |
| C23 | N10 | C11 | C01 | 178.4° | 180.0° |
| C23 | N10 | C01 | C02 | 0.2° | 0.0° |
| C23 | N10 | C01 | O24 | 178.1° | 179.8° |
| C23 | N10 | C11 | H10 | 174.2° | 170.9° |
| C23 | N10 | C11 | H11 | 65.4° | 68.7° |
| N10 | C23 | C22 | H16 | 170.1° | 66.0° |
| N10 | C23 | C22 | H17 | 69.5° | 173.8° |
| N10 | C23 | H18 | H19 | 118.3° | 120.4° |
| C11 | N10 | C01 | C02 | 178.6° | 180.0° |
| C11 | N10 | C01 | O24 | 0.3° | 0.3° |
| N10 | C11 | H10 | H11 | 120.6° | 120.4° |
| N10 | C11 | C12 | H12 | 63.6° | 173.8° |
| N10 | C11 | C12 | H13 | 176.5° | 66.1° |
| C11 | N10 | C23 | H18 | 67.8° | 68.6° |
| C11 | N10 | C23 | H19 | 173.3° | 170.9° |
| N10 | C01 | C02 | O24 | 178.1° | 179.7° |
| N10 | C01 | C02 | C07 | 155.3° | 179.7° |
| N10 | C01 | C02 | H1 | 35.1° | 59.7° |
| N10 | C01 | C02 | H2 | 84.6° | 60.3° |
| C01 | N10 | C11 | H10 | 7.4° | 9.1° |
| C01 | N10 | C11 | H11 | 113.0° | 111.3° |
| C01 | N10 | C23 | H18 | 110.6° | 111.5° |
| C01 | N10 | C23 | H19 | 8.3° | 9.1° |
| C01 | C02 | C07 | H1 | 120.2° | 120.0° |
| C01 | C02 | C07 | H2 | 120.1° | 120.0° |
| C01 | C02 | C07 | C25 | 68.8° | 80.1° |
| C01 | C02 | C07 | C06 | 108.7° | 100.0° |
| C01 | C02 | H1 | H2 | 119.6° | 120.0° |
| O24 | C01 | C02 | C07 | 22.8° | 0.0° |
| O24 | C01 | C02 | H1 | 143.0° | 120.0° |
| O24 | C01 | C02 | H2 | 97.3° | 120.0° |
| F13 | C25 | C07 | C02 | 1.8° | 0.1° |
| F13 | C25 | C07 | C26 | 179.7° | 179.8° |
| F13 | C25 | C07 | C06 | 179.2° | 180.0° |
| F13 | C25 | C26 | C04 | 179.0° | 179.7° |
| F13 | C25 | C26 | H20 | 1.0° | 0.3° |
| C02 | C07 | C25 | C06 | 177.4° | 179.9° |
| C02 | C07 | C25 | C26 | 178.5° | 179.7° |
| C02 | C07 | C06 | C05 | 179.7° | 179.9° |
| C07 | C02 | H1 | H2 | 119.5° | 120.0° |
| C02 | C07 | C06 | H4 | 0.3° | 0.0° |
| C07 | C25 | C26 | C04 | 0.7° | 0.5° |
| C25 | C07 | C06 | C05 | 2.1° | 0.0° |
| C25 | C07 | C02 | H1 | 51.4° | 159.9° |
| C25 | C07 | C02 | H2 | 171.0° | 40.0° |
| C25 | C07 | C06 | H4 | 177.9° | 179.9° |
| C07 | C25 | C26 | H20 | 179.2° | 179.9° |
| C26 | C25 | C07 | C06 | 1.1° | 0.2° |
| C25 | C26 | C04 | H20 | 180.0° | 179.4° |
| C25 | C26 | C04 | C05 | 1.4° | 0.5° |
| C25 | C26 | C04 | C08 | 179.5° | 179.7° |
| C07 | C06 | C05 | H4 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 1.4° | 0.0° |
| C06 | C07 | C02 | H1 | 131.1° | 20.0° |
| C06 | C07 | C02 | H2 | 11.4° | 140.0° |
| C07 | C06 | C05 | H3 | 178.6° | 180.0° |
| C26 | C04 | C05 | C06 | 0.4° | 0.3° |
| C26 | C04 | C05 | C08 | 179.0° | 179.8° |
| C26 | C04 | C08 | C09 | 40.6° | 8.9° |
| C26 | C04 | C08 | C10 | 30.4° | 59.8° |
| C26 | C04 | C05 | H3 | 179.6° | 179.7° |
| C26 | C04 | C08 | H5 | 173.6° | 154.6° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C08 | 179.4° | 179.9° |
| C05 | C04 | C08 | C09 | 140.4° | 171.4° |
| C05 | C04 | C08 | C10 | 148.6° | 120.0° |
| C04 | C05 | C06 | H4 | 178.6° | 179.9° |
| C05 | C04 | C08 | H5 | 5.4° | 25.6° |
| C05 | C04 | C26 | H20 | 178.5° | 179.9° |
| C04 | C08 | C09 | C10 | 108.6° | 107.5° |
| C04 | C08 | C09 | H5 | 145.7° | 145.1° |
| C04 | C08 | C10 | H5 | 143.2° | 145.0° |
| C08 | C04 | C05 | H3 | 0.6° | 0.0° |
| C04 | C08 | C09 | H6 | 0.9° | 0.0° |
| C04 | C08 | C09 | H7 | 141.9° | 145.1° |
| C04 | C08 | C10 | H8 | 1.5° | 145.0° |
| C04 | C08 | C10 | H9 | 139.8° | 0.1° |
| C08 | C04 | C26 | H20 | 0.5° | 0.3° |
| C08 | C09 | C10 | H6 | 109.5° | 107.5° |
| C08 | C09 | C10 | H7 | 109.5° | 107.5° |
| C09 | C08 | C10 | H5 | 106.0° | 107.5° |
| C08 | C09 | H6 | H7 | 144.6° | 145.7° |
| C08 | C09 | C10 | H8 | 109.4° | 107.5° |
| C08 | C09 | C10 | H9 | 109.4° | 107.5° |
| C10 | C09 | H6 | H7 | 144.6° | 145.7° |
| C09 | C10 | H8 | H9 | 144.9° | 145.6° |
| C08 | C10 | H8 | H9 | 145.0° | 145.7° |
| H3 | C05 | C06 | H4 | 1.4° | 0.1° |
| H5 | C08 | C09 | H6 | 144.7° | 145.1° |
| H5 | C08 | C09 | H7 | 3.8° | 0.0° |
| H5 | C08 | C10 | H8 | 144.7° | 0.0° |
| H5 | C08 | C10 | H9 | 3.3° | 145.0° |
| H6 | C09 | C10 | H8 | 0.2° | 145.0° |
| H6 | C09 | C10 | H9 | 141.1° | 0.0° |
| H7 | C09 | C10 | H8 | 141.1° | 0.0° |
| H7 | C09 | C10 | H9 | 0.1° | 145.0° |
| H10 | C11 | C12 | H12 | 56.2° | 66.5° |
| H10 | C11 | C12 | H13 | 63.7° | 53.6° |
| H11 | C11 | C12 | H12 | 176.6° | 53.9° |
| H11 | C11 | C12 | H13 | 56.7° | 174.0° |
| H14 | C20 | C21 | H15 | 0.8° | 0.3° |
| H16 | C22 | C23 | H18 | 49.5° | 174.2° |
| H16 | C22 | C23 | H19 | 69.4° | 53.6° |
| H17 | C22 | C23 | H18 | 169.9° | 54.0° |
| H17 | C22 | C23 | H19 | 51.0° | 66.5° |
