F54
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C25 | doub | 1.22Å | 1.25Å | |
| O27 | C25 | sing | 1.35Å | 1.26Å | |
| C25 | C24 | sing | 1.48Å | 1.51Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C24 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.46Å | 1.43Å | Aromatic |
| C28 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C08 | sing | 1.40Å | 1.46Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.37Å | 1.40Å | Aromatic |
| C23 | C17 | sing | 1.42Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.50Å | |
| C15 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.54Å | |
| C09 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C06 | doub | 1.40Å | 1.36Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | N05 | doub | 1.32Å | 1.31Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | F21 | sing | 1.35Å | 1.36Å | |
| C20 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.31Å | Aromatic |
| C06 | CL07 | sing | 1.74Å | 1.78Å | |
| C19 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| O27 | H1 | sing | 0.97Å | 0.95Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C25 | O27 | 119.4° | 120.0° |
| O26 | C25 | C24 | 123.5° | 120.0° |
| O27 | C25 | C24 | 117.2° | 120.0° |
| C25 | O27 | H1 | 109.5° | 117.0° |
| C25 | C24 | C28 | 121.3° | 121.4° |
| C25 | C24 | C23 | 121.7° | 121.3° |
| C29 | C28 | C24 | 116.7° | 120.3° |
| C29 | C28 | C15 | 123.8° | 120.3° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C24 | C23 | 116.9° | 117.3° |
| C24 | C28 | C15 | 119.5° | 119.4° |
| C24 | C23 | C22 | 120.6° | 121.5° |
| C24 | C23 | C17 | 120.3° | 118.7° |
| C28 | C15 | C14 | 121.8° | 118.9° |
| C28 | C15 | N16 | 121.8° | 122.3° |
| C03 | C04 | C08 | 114.0° | 118.3° |
| C04 | C03 | C02 | 121.4° | 119.3° |
| C04 | C03 | H031 | 119.3° | 120.3° |
| C03 | C04 | H041 | 123.0° | 120.9° |
| C04 | C08 | C09 | 118.6° | 120.6° |
| C04 | C08 | C06 | 120.1° | 118.9° |
| C08 | C04 | H041 | 123.0° | 120.8° |
| C03 | C02 | C01 | 120.0° | 119.5° |
| C03 | C02 | N05 | 121.7° | 121.0° |
| C02 | C03 | H031 | 119.3° | 120.4° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | C09 | 122.0° | 120.0° |
| C13 | C12 | H121 | 119.0° | 120.0° |
| C12 | C13 | H131 | 119.9° | 120.0° |
| C13 | C14 | C15 | 121.5° | 120.0° |
| C13 | C14 | C11 | 119.0° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C12 | C09 | C08 | 115.9° | 120.0° |
| C12 | C09 | C10 | 118.6° | 120.0° |
| C09 | C12 | H121 | 119.0° | 120.0° |
| C23 | C22 | C20 | 120.2° | 119.6° |
| C22 | C23 | C17 | 119.1° | 119.8° |
| C23 | C22 | H221 | 120.0° | 120.2° |
| C22 | C20 | F21 | 120.8° | 119.6° |
| C22 | C20 | C19 | 119.9° | 120.7° |
| C20 | C22 | H221 | 119.9° | 120.2° |
| C23 | C17 | N16 | 122.2° | 120.0° |
| C23 | C17 | C18 | 120.1° | 119.0° |
| C14 | C15 | N16 | 116.2° | 118.8° |
| C15 | C14 | C11 | 119.5° | 120.0° |
| C15 | N16 | C17 | 119.2° | 122.3° |
| C14 | C11 | C10 | 120.5° | 120.0° |
| C14 | C11 | H111 | 119.8° | 120.0° |
| C08 | C09 | C10 | 125.4° | 120.0° |
| C09 | C08 | C06 | 121.2° | 120.6° |
| C09 | C10 | C11 | 119.8° | 120.0° |
| C09 | C10 | H101 | 120.1° | 120.0° |
| C08 | C06 | N05 | 122.3° | 120.6° |
| C08 | C06 | CL07 | 117.8° | 119.7° |
| C01 | C02 | N05 | 118.3° | 119.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | N05 | C06 | 120.4° | 121.8° |
| C11 | C10 | H101 | 120.1° | 120.0° |
| C10 | C11 | H111 | 119.7° | 120.0° |
| F21 | C20 | C19 | 119.3° | 119.6° |
| C20 | C19 | C18 | 119.8° | 121.1° |
| C20 | C19 | H191 | 120.1° | 119.4° |
| N16 | C17 | C18 | 117.6° | 121.0° |
| C17 | C18 | C19 | 120.9° | 119.7° |
| C17 | C18 | H181 | 119.6° | 120.2° |
| N05 | C06 | CL07 | 119.9° | 119.7° |
| C19 | C18 | H181 | 119.6° | 120.1° |
| C18 | C19 | H191 | 120.1° | 119.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C25 | O27 | C24 | 179.4° | 180.0° |
| O26 | C25 | C24 | C28 | 100.7° | 90.0° |
| O26 | C25 | C24 | C23 | 81.0° | 90.0° |
| O26 | C25 | O27 | H1 | 0.0° | 0.0° |
| O27 | C25 | C24 | C28 | 78.7° | 90.0° |
| O27 | C25 | C24 | C23 | 99.6° | 90.0° |
| C25 | C24 | C28 | C29 | 2.3° | 0.0° |
| C25 | C24 | C28 | C23 | 178.3° | 180.0° |
| C25 | C24 | C28 | C15 | 177.7° | 179.9° |
| C25 | C24 | C23 | C22 | 2.3° | 0.1° |
| C25 | C24 | C23 | C17 | 178.1° | 179.8° |
| C24 | C25 | O27 | H1 | 179.4° | 180.0° |
| C29 | C28 | C24 | C15 | 180.0° | 179.9° |
| C29 | C28 | C24 | C23 | 179.4° | 180.0° |
| C29 | C28 | C15 | C14 | 2.4° | 0.1° |
| C29 | C28 | C15 | N16 | 177.8° | 179.8° |
| C28 | C29 | H291 | H293 | 120.0° | 120.1° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H293 | H292 | 120.0° | 120.0° |
| C28 | C24 | C23 | C22 | 179.4° | 180.0° |
| C28 | C24 | C23 | C17 | 0.2° | 0.2° |
| C24 | C28 | C15 | C14 | 177.6° | 180.0° |
| C24 | C28 | C15 | N16 | 2.2° | 0.3° |
| C24 | C28 | C29 | H291 | 90.0° | 94.2° |
| C24 | C28 | C29 | H293 | 150.0° | 145.8° |
| C24 | C28 | C29 | H292 | 30.0° | 25.8° |
| C23 | C24 | C28 | C15 | 0.6° | 0.0° |
| C24 | C23 | C22 | C17 | 179.6° | 179.8° |
| C24 | C23 | C22 | C20 | 179.6° | 179.8° |
| C24 | C23 | C17 | N16 | 1.4° | 0.3° |
| C24 | C23 | C17 | C18 | 179.1° | 179.8° |
| C24 | C23 | C22 | H221 | 0.5° | 0.2° |
| C28 | C15 | C14 | C13 | 51.4° | 44.5° |
| C28 | C15 | C14 | N16 | 175.7° | 179.7° |
| C28 | C15 | C14 | C11 | 127.8° | 135.8° |
| C28 | C15 | N16 | C17 | 3.3° | 0.2° |
| C15 | C28 | C29 | H291 | 90.0° | 85.8° |
| C15 | C28 | C29 | H293 | 30.0° | 34.3° |
| C15 | C28 | C29 | H292 | 150.0° | 154.3° |
| C03 | C04 | C08 | H041 | 180.0° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C03 | C04 | C08 | C09 | 179.8° | 180.0° |
| C03 | C04 | C08 | C06 | 3.4° | 0.0° |
| C04 | C03 | C02 | C01 | 178.9° | 180.0° |
| C04 | C03 | C02 | N05 | 1.4° | 0.2° |
| C08 | C04 | C03 | C02 | 2.6° | 0.0° |
| C04 | C08 | C09 | C12 | 58.5° | 50.3° |
| C04 | C08 | C09 | C06 | 176.8° | 180.0° |
| C04 | C08 | C09 | C10 | 117.1° | 130.0° |
| C04 | C08 | C06 | N05 | 3.0° | 0.2° |
| C04 | C08 | C06 | CL07 | 177.1° | 179.7° |
| C08 | C04 | C03 | H031 | 177.4° | 180.0° |
| C03 | C02 | C01 | N05 | 179.7° | 179.7° |
| C03 | C02 | N05 | C06 | 0.8° | 0.5° |
| C03 | C02 | C01 | H013 | 179.7° | 89.7° |
| C03 | C02 | C01 | H011 | 59.6° | 30.2° |
| C03 | C02 | C01 | H012 | 60.3° | 150.2° |
| C02 | C03 | C04 | H041 | 177.4° | 180.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C13 | C12 | C09 | H121 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.5° | 180.0° |
| C12 | C13 | C14 | C11 | 0.3° | 0.3° |
| C13 | C12 | C09 | C08 | 176.1° | 180.0° |
| C13 | C12 | C09 | C10 | 0.2° | 0.3° |
| C14 | C13 | C12 | C09 | 0.2° | 0.0° |
| C13 | C14 | C15 | C11 | 179.2° | 179.7° |
| C13 | C14 | C15 | N16 | 132.9° | 135.8° |
| C13 | C14 | C11 | C10 | 0.0° | 0.3° |
| C13 | C14 | C11 | H111 | 180.0° | 179.8° |
| C14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C12 | C09 | C08 | C10 | 175.6° | 179.7° |
| C12 | C09 | C08 | C06 | 124.7° | 129.7° |
| C12 | C09 | C10 | C11 | 0.4° | 0.3° |
| C12 | C09 | C10 | H101 | 179.6° | 179.8° |
| C09 | C12 | C13 | H131 | 179.8° | 180.0° |
| C23 | C22 | C20 | H221 | 180.0° | 179.9° |
| C23 | C22 | C20 | F21 | 178.2° | 180.0° |
| C23 | C22 | C20 | C19 | 0.1° | 0.0° |
| C22 | C23 | C17 | N16 | 178.2° | 180.0° |
| C22 | C23 | C17 | C18 | 0.5° | 0.0° |
| C20 | C22 | C23 | C17 | 0.1° | 0.0° |
| C22 | C20 | F21 | C19 | 178.4° | 180.0° |
| C22 | C20 | C19 | C18 | 0.6° | 0.0° |
| C22 | C20 | C19 | H191 | 179.4° | 179.9° |
| C23 | C17 | N16 | C15 | 3.0° | 0.0° |
| C23 | C17 | N16 | C18 | 177.7° | 180.0° |
| C23 | C17 | C18 | C19 | 1.0° | 0.0° |
| C23 | C17 | C18 | H181 | 179.0° | 180.0° |
| C17 | C23 | C22 | H221 | 179.9° | 180.0° |
| C15 | C14 | C11 | C10 | 179.3° | 180.0° |
| C14 | C15 | N16 | C17 | 179.0° | 180.0° |
| C15 | C14 | C11 | H111 | 0.7° | 0.1° |
| C15 | C14 | C13 | H131 | 0.5° | 0.0° |
| N16 | C15 | C14 | C11 | 47.9° | 44.0° |
| C15 | N16 | C17 | C18 | 179.3° | 180.0° |
| C14 | C11 | C10 | C09 | 0.3° | 0.0° |
| C14 | C11 | C10 | H111 | 180.0° | 179.9° |
| C14 | C11 | C10 | H101 | 179.7° | 180.0° |
| C11 | C14 | C13 | H131 | 179.7° | 179.8° |
| C08 | C09 | C10 | C11 | 175.9° | 180.0° |
| C09 | C08 | C06 | N05 | 179.8° | 179.8° |
| C09 | C08 | C06 | CL07 | 0.3° | 0.3° |
| C08 | C09 | C10 | H101 | 4.1° | 0.0° |
| C08 | C09 | C12 | H121 | 3.9° | 0.0° |
| C09 | C08 | C04 | H041 | 0.2° | 0.0° |
| C10 | C09 | C08 | C06 | 59.7° | 50.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | H111 | 179.6° | 179.9° |
| C10 | C09 | C12 | H121 | 179.8° | 179.7° |
| C08 | C06 | N05 | C02 | 1.6° | 0.5° |
| C08 | C06 | N05 | CL07 | 179.9° | 179.5° |
| C06 | C08 | C04 | H041 | 176.6° | 180.0° |
| C01 | C02 | N05 | C06 | 179.6° | 179.7° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 1.1° | 0.0° |
| C02 | N05 | C06 | CL07 | 178.5° | 180.0° |
| N05 | C02 | C01 | H013 | 0.0° | 90.0° |
| N05 | C02 | C01 | H011 | 120.0° | 150.0° |
| N05 | C02 | C01 | H012 | 120.0° | 30.0° |
| N05 | C02 | C03 | H031 | 178.6° | 179.7° |
| F21 | C20 | C19 | C18 | 177.7° | 180.0° |
| F21 | C20 | C19 | H191 | 2.2° | 0.0° |
| F21 | C20 | C22 | H221 | 1.8° | 0.0° |
| C20 | C19 | C18 | C17 | 1.1° | 0.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C20 | C19 | C18 | H181 | 178.9° | 180.0° |
| C19 | C20 | C22 | H221 | 179.9° | 180.0° |
| N16 | C17 | C18 | C19 | 178.8° | 179.9° |
| N16 | C17 | C18 | H181 | 1.2° | 0.1° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | H191 | 178.9° | 180.0° |
| H101 | C10 | C11 | H111 | 0.3° | 0.1° |
| H121 | C12 | C13 | H131 | 0.2° | 0.1° |
| H181 | C18 | C19 | H191 | 1.1° | 0.0° |
| H291 | C29 | H293 | H292 | 120.0° | 120.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.1° |
| H031 | C03 | C04 | H041 | 2.6° | 0.1° |
