Y92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL18 | C17 | sing | 1.74Å | 1.77Å | |
| C17 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | N16 | sing | 1.32Å | 1.31Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| N16 | N15 | doub | 1.28Å | 1.33Å | Aromatic |
| C21 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.32Å | 1.30Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.44Å | |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| N13 | C02 | sing | 1.47Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.47Å | 1.41Å | |
| C01 | N10 | sing | 1.47Å | 1.41Å | |
| N10 | C09 | sing | 1.35Å | 1.46Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | O24 | doub | 1.21Å | 1.18Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C25 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C22 | sing | 1.51Å | 1.55Å | |
| C05 | F05 | sing | 1.35Å | 1.37Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL18 | C17 | C20 | 119.4° | 120.0° |
| CL18 | C17 | N16 | 118.2° | 120.0° |
| C20 | C17 | N16 | 122.4° | 120.0° |
| C17 | C20 | C21 | 117.2° | 118.1° |
| C17 | C20 | H12 | 121.4° | 121.0° |
| C17 | N16 | N15 | 120.2° | 122.2° |
| C20 | C21 | C14 | 116.2° | 117.9° |
| C21 | C20 | H12 | 121.4° | 121.0° |
| C20 | C21 | H13 | 121.9° | 121.1° |
| N16 | N15 | C14 | 121.6° | 122.1° |
| C21 | C14 | N15 | 122.4° | 119.7° |
| C21 | C14 | N13 | 120.1° | 120.2° |
| C14 | C21 | H13 | 121.9° | 121.0° |
| N15 | C14 | N13 | 117.5° | 120.1° |
| C14 | N13 | C12 | 123.6° | 111.0° |
| C14 | N13 | C02 | 121.7° | 111.0° |
| C12 | N13 | C02 | 114.5° | 111.3° |
| N13 | C12 | C11 | 108.9° | 109.3° |
| N13 | C12 | H10 | 109.6° | 109.5° |
| N13 | C12 | H11 | 109.6° | 109.5° |
| N13 | C02 | C01 | 111.6° | 109.3° |
| N13 | C02 | H3 | 108.9° | 109.5° |
| N13 | C02 | H4 | 109.0° | 109.5° |
| C12 | C11 | N10 | 110.5° | 108.5° |
| C12 | C11 | H8 | 109.2° | 109.7° |
| C12 | C11 | H9 | 109.2° | 109.8° |
| C11 | C12 | H10 | 109.6° | 109.5° |
| C11 | C12 | H11 | 109.6° | 109.5° |
| C02 | C01 | N10 | 108.8° | 108.6° |
| C02 | C01 | H1 | 109.6° | 109.6° |
| C02 | C01 | H2 | 109.6° | 109.7° |
| C01 | C02 | H3 | 108.9° | 109.5° |
| C01 | C02 | H4 | 108.9° | 109.4° |
| C11 | N10 | C01 | 114.7° | 118.2° |
| C11 | N10 | C09 | 121.7° | 120.9° |
| N10 | C11 | H8 | 109.2° | 109.6° |
| N10 | C11 | H9 | 109.2° | 109.6° |
| C01 | N10 | C09 | 123.6° | 120.9° |
| N10 | C01 | H1 | 109.7° | 109.7° |
| N10 | C01 | H2 | 109.7° | 109.6° |
| N10 | C09 | C08 | 117.3° | 120.0° |
| N10 | C09 | O24 | 120.5° | 120.0° |
| C08 | C09 | O24 | 122.2° | 120.0° |
| C09 | C08 | C07 | 108.3° | 109.5° |
| C09 | C08 | H6 | 109.8° | 109.5° |
| C09 | C08 | H7 | 109.7° | 109.4° |
| C08 | C07 | C25 | 122.1° | 120.0° |
| C08 | C07 | C06 | 116.6° | 120.0° |
| C07 | C08 | H6 | 109.8° | 109.5° |
| C07 | C08 | H7 | 109.8° | 109.4° |
| C07 | C25 | C26 | 119.3° | 120.0° |
| C25 | C07 | C06 | 121.3° | 120.0° |
| C07 | C25 | H19 | 120.3° | 120.0° |
| C25 | C26 | C04 | 118.8° | 120.0° |
| C26 | C25 | H19 | 120.3° | 120.0° |
| C25 | C26 | H20 | 120.6° | 120.0° |
| C07 | C06 | C05 | 119.5° | 120.0° |
| C07 | C06 | H5 | 120.2° | 120.0° |
| C26 | C04 | C05 | 121.0° | 120.0° |
| C26 | C04 | C22 | 122.8° | 120.0° |
| C04 | C26 | H20 | 120.6° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C06 | C05 | F05 | 120.0° | 120.0° |
| C05 | C06 | H5 | 120.2° | 120.0° |
| C05 | C04 | C22 | 116.2° | 120.0° |
| C04 | C05 | F05 | 119.9° | 120.1° |
| C04 | C22 | C23 | 121.1° | 117.5° |
| C04 | C22 | C24 | 123.4° | 117.5° |
| C04 | C22 | H14 | 113.8° | 115.5° |
| C23 | C22 | C24 | 60.2° | 60.0° |
| C22 | C23 | C24 | 60.0° | 60.0° |
| C23 | C22 | H14 | 114.1° | 117.5° |
| C22 | C23 | H15 | 120.0° | 117.5° |
| C22 | C23 | H16 | 120.0° | 117.5° |
| C22 | C24 | C23 | 59.8° | 60.0° |
| C24 | C22 | H14 | 114.1° | 117.6° |
| C22 | C24 | H17 | 120.0° | 117.5° |
| C22 | C24 | H18 | 120.0° | 117.5° |
| C24 | C23 | H15 | 120.0° | 117.5° |
| C24 | C23 | H16 | 120.0° | 117.5° |
| C23 | C24 | H17 | 120.0° | 117.5° |
| C23 | C24 | H18 | 120.0° | 117.5° |
| H1 | C01 | H2 | 109.5° | 109.6° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.7° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.4° | 115.6° |
| H17 | C24 | H18 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL18 | C17 | C20 | N16 | 179.8° | 179.8° |
| CL18 | C17 | C20 | C21 | 179.1° | 180.0° |
| CL18 | C17 | N16 | N15 | 179.5° | 179.9° |
| CL18 | C17 | C20 | H12 | 0.9° | 0.2° |
| C17 | C20 | C21 | H12 | 180.0° | 179.8° |
| C20 | C17 | N16 | N15 | 0.2° | 0.2° |
| C17 | C20 | C21 | C14 | 0.7° | 0.1° |
| C17 | C20 | C21 | H13 | 179.3° | 179.9° |
| N16 | C17 | C20 | C21 | 0.6° | 0.2° |
| C17 | N16 | N15 | C14 | 0.1° | 0.0° |
| N16 | C17 | C20 | H12 | 179.4° | 180.0° |
| C20 | C21 | C14 | H13 | 180.0° | 180.0° |
| C20 | C21 | C14 | N15 | 0.4° | 0.3° |
| C20 | C21 | C14 | N13 | 179.8° | 180.0° |
| N16 | N15 | C14 | C21 | 0.0° | 0.2° |
| N16 | N15 | C14 | N13 | 179.8° | 180.0° |
| C21 | C14 | N15 | N13 | 179.8° | 179.7° |
| C21 | C14 | N13 | C12 | 15.3° | 180.0° |
| C21 | C14 | N13 | C02 | 170.6° | 55.7° |
| C14 | C21 | C20 | H12 | 179.4° | 179.7° |
| N15 | C14 | N13 | C12 | 164.8° | 0.3° |
| N15 | C14 | N13 | C02 | 9.2° | 124.6° |
| N15 | C14 | C21 | H13 | 179.6° | 179.7° |
| C14 | N13 | C12 | C02 | 174.4° | 124.1° |
| C14 | N13 | C12 | C11 | 137.8° | 172.7° |
| C14 | N13 | C02 | C01 | 137.9° | 172.8° |
| C14 | N13 | C02 | H3 | 101.7° | 52.8° |
| C14 | N13 | C02 | H4 | 17.6° | 67.3° |
| C14 | N13 | C12 | H10 | 17.9° | 67.3° |
| C14 | N13 | C12 | H11 | 102.3° | 52.8° |
| N13 | C14 | C21 | H13 | 0.2° | 0.0° |
| N13 | C12 | C11 | H10 | 119.9° | 120.0° |
| N13 | C12 | C11 | H11 | 119.9° | 120.0° |
| C12 | N13 | C02 | C01 | 47.5° | 63.1° |
| N13 | C12 | C11 | N10 | 53.7° | 53.9° |
| C12 | N13 | C02 | H3 | 72.8° | 176.9° |
| C12 | N13 | C02 | H4 | 167.8° | 56.8° |
| N13 | C12 | C11 | H8 | 66.4° | 65.8° |
| N13 | C12 | C11 | H9 | 173.9° | 173.6° |
| N13 | C12 | H10 | H11 | 120.2° | 120.0° |
| C02 | N13 | C12 | C11 | 47.8° | 63.1° |
| N13 | C02 | C01 | H3 | 120.3° | 120.0° |
| N13 | C02 | C01 | H4 | 120.3° | 119.9° |
| N13 | C02 | C01 | N10 | 50.9° | 53.8° |
| N13 | C02 | C01 | H1 | 170.8° | 173.5° |
| N13 | C02 | C01 | H2 | 69.0° | 66.0° |
| N13 | C02 | H3 | H4 | 119.0° | 120.1° |
| C02 | N13 | C12 | H10 | 167.7° | 56.9° |
| C02 | N13 | C12 | H11 | 72.1° | 176.9° |
| C12 | C11 | N10 | H8 | 120.1° | 119.7° |
| C12 | C11 | N10 | H9 | 120.1° | 119.9° |
| C12 | C11 | N10 | C01 | 64.1° | 51.2° |
| C12 | C11 | N10 | C09 | 114.5° | 128.8° |
| C12 | C11 | H8 | H9 | 119.5° | 120.7° |
| C11 | C12 | H10 | H11 | 120.3° | 120.1° |
| C02 | C01 | N10 | C11 | 61.4° | 51.2° |
| C02 | C01 | N10 | H1 | 119.9° | 119.8° |
| C02 | C01 | N10 | H2 | 119.9° | 119.9° |
| C02 | C01 | N10 | C09 | 117.1° | 128.9° |
| C02 | C01 | H1 | H2 | 120.3° | 120.5° |
| C01 | C02 | H3 | H4 | 119.0° | 120.0° |
| C11 | N10 | C01 | C09 | 178.5° | 179.9° |
| C11 | N10 | C09 | C08 | 1.6° | 0.1° |
| C11 | N10 | C09 | O24 | 179.7° | 180.0° |
| C11 | N10 | C01 | H1 | 178.7° | 170.9° |
| C11 | N10 | C01 | H2 | 58.4° | 68.7° |
| N10 | C11 | H8 | H9 | 119.6° | 120.3° |
| N10 | C11 | C12 | H10 | 173.6° | 66.1° |
| N10 | C11 | C12 | H11 | 66.2° | 173.8° |
| C01 | N10 | C09 | C08 | 180.0° | 180.0° |
| C01 | N10 | C09 | O24 | 1.8° | 0.0° |
| N10 | C01 | H1 | H2 | 120.3° | 120.4° |
| N10 | C01 | C02 | H3 | 69.4° | 173.8° |
| N10 | C01 | C02 | H4 | 171.3° | 66.2° |
| C01 | N10 | C11 | H8 | 56.0° | 68.5° |
| C01 | N10 | C11 | H9 | 175.8° | 171.1° |
| N10 | C09 | C08 | O24 | 178.1° | 179.9° |
| N10 | C09 | C08 | C07 | 151.8° | 180.0° |
| C09 | N10 | C01 | H1 | 2.8° | 9.1° |
| C09 | N10 | C01 | H2 | 123.0° | 111.2° |
| N10 | C09 | C08 | H6 | 32.0° | 59.9° |
| N10 | C09 | C08 | H7 | 88.4° | 60.1° |
| C09 | N10 | C11 | H8 | 125.4° | 111.4° |
| C09 | N10 | C11 | H9 | 5.7° | 9.0° |
| C09 | C08 | C07 | H6 | 119.8° | 120.1° |
| C09 | C08 | C07 | H7 | 119.8° | 120.0° |
| C09 | C08 | C07 | C25 | 71.9° | 90.0° |
| C09 | C08 | C07 | C06 | 107.4° | 90.0° |
| C09 | C08 | H6 | H7 | 120.5° | 120.0° |
| O24 | C09 | C08 | C07 | 26.4° | 0.1° |
| O24 | C09 | C08 | H6 | 146.2° | 120.0° |
| O24 | C09 | C08 | H7 | 93.5° | 120.0° |
| C08 | C07 | C25 | C06 | 179.3° | 180.0° |
| C08 | C07 | C25 | C26 | 179.7° | 179.7° |
| C08 | C07 | C06 | C05 | 179.6° | 180.0° |
| C08 | C07 | C06 | H5 | 0.4° | 0.1° |
| C07 | C08 | H6 | H7 | 120.6° | 120.0° |
| C08 | C07 | C25 | H19 | 0.3° | 0.0° |
| C07 | C25 | C26 | H19 | 180.0° | 179.8° |
| C07 | C25 | C26 | C04 | 0.0° | 0.5° |
| C25 | C07 | C06 | C05 | 0.2° | 0.0° |
| C25 | C07 | C06 | H5 | 179.7° | 179.9° |
| C25 | C07 | C08 | H6 | 47.9° | 30.0° |
| C25 | C07 | C08 | H7 | 168.3° | 150.0° |
| C07 | C25 | C26 | H20 | 180.0° | 179.9° |
| C26 | C25 | C07 | C06 | 0.4° | 0.3° |
| C25 | C26 | C04 | H20 | 180.0° | 179.4° |
| C25 | C26 | C04 | C05 | 0.6° | 0.6° |
| C25 | C26 | C04 | C22 | 180.0° | 179.8° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.3° | 0.1° |
| C07 | C06 | C05 | F05 | 179.9° | 179.9° |
| C06 | C07 | C08 | H6 | 132.8° | 150.0° |
| C06 | C07 | C08 | H7 | 12.4° | 30.0° |
| C06 | C07 | C25 | H19 | 179.6° | 180.0° |
| C26 | C04 | C05 | C06 | 0.7° | 0.4° |
| C26 | C04 | C05 | C22 | 179.5° | 179.7° |
| C26 | C04 | C05 | F05 | 179.7° | 179.7° |
| C26 | C04 | C22 | C23 | 32.6° | 60.3° |
| C26 | C04 | C22 | C24 | 40.0° | 8.3° |
| C26 | C04 | C22 | H14 | 174.5° | 154.0° |
| C04 | C26 | C25 | H19 | 180.0° | 179.7° |
| C06 | C05 | C04 | F05 | 179.6° | 180.0° |
| C06 | C05 | C04 | C22 | 179.8° | 180.0° |
| C05 | C04 | C22 | C23 | 147.9° | 120.0° |
| C05 | C04 | C22 | C24 | 139.4° | 171.3° |
| C04 | C05 | C06 | H5 | 179.7° | 180.0° |
| C05 | C04 | C22 | H14 | 6.1° | 25.6° |
| C05 | C04 | C26 | H20 | 179.4° | 180.0° |
| C22 | C04 | C05 | F05 | 0.2° | 0.0° |
| C04 | C22 | C23 | C24 | 113.2° | 107.5° |
| C04 | C22 | C23 | H14 | 141.8° | 145.0° |
| C04 | C22 | C24 | H14 | 145.4° | 145.0° |
| C04 | C22 | C23 | H15 | 3.8° | 0.0° |
| C04 | C22 | C23 | H16 | 137.3° | 145.0° |
| C04 | C22 | C24 | H17 | 141.0° | 145.1° |
| C04 | C22 | C24 | H18 | 0.1° | 0.0° |
| C22 | C04 | C26 | H20 | 0.0° | 0.4° |
| F05 | C05 | C06 | H5 | 0.1° | 0.0° |
| C23 | C22 | C24 | H14 | 105.0° | 107.5° |
| C22 | C23 | C24 | H15 | 109.5° | 107.5° |
| C22 | C23 | C24 | H16 | 109.5° | 107.5° |
| C22 | C23 | H15 | H16 | 144.7° | 145.7° |
| C23 | C22 | C24 | H17 | 109.4° | 107.4° |
| C23 | C22 | C24 | H18 | 109.4° | 107.5° |
| C22 | C24 | H17 | H18 | 144.8° | 145.8° |
| C24 | C23 | H15 | H16 | 144.7° | 145.7° |
| C23 | C24 | H17 | H18 | 144.9° | 145.6° |
| H1 | C01 | C02 | H3 | 50.5° | 66.4° |
| H1 | C01 | C02 | H4 | 68.8° | 53.6° |
| H2 | C01 | C02 | H3 | 170.7° | 54.0° |
| H2 | C01 | C02 | H4 | 51.4° | 174.0° |
| H8 | C11 | C12 | H10 | 53.5° | 174.2° |
| H8 | C11 | C12 | H11 | 173.7° | 54.1° |
| H9 | C11 | C12 | H10 | 66.2° | 53.6° |
| H9 | C11 | C12 | H11 | 54.0° | 66.5° |
| H12 | C20 | C21 | H13 | 0.7° | 0.3° |
| H14 | C22 | C23 | H15 | 145.6° | 145.0° |
| H14 | C22 | C23 | H16 | 4.5° | 0.0° |
| H14 | C22 | C24 | H17 | 4.4° | 0.1° |
| H14 | C22 | C24 | H18 | 145.5° | 145.0° |
| H15 | C23 | C24 | H17 | 141.1° | 145.0° |
| H15 | C23 | C24 | H18 | 0.1° | 0.1° |
| H16 | C23 | C24 | H17 | 0.1° | 0.0° |
| H16 | C23 | C24 | H18 | 141.1° | 145.0° |
| H19 | C25 | C26 | H20 | 0.0° | 0.3° |
