9UO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| F26 | C23 | sing | 1.40Å | 1.36Å | |
| F25 | C23 | sing | 1.40Å | 1.34Å | |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| C23 | F24 | sing | 1.40Å | 1.35Å | |
| C21 | N20 | sing | 1.47Å | 1.42Å | |
| N20 | C19 | sing | 1.38Å | 1.40Å | |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N18 | C19 | doub | 1.33Å | 1.30Å | Aromatic |
| N18 | C10 | sing | 1.33Å | 1.29Å | Aromatic |
| C19 | N27 | sing | 1.33Å | 1.31Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.55Å | |
| C11 | N17 | doub | 1.33Å | 1.27Å | Aromatic |
| C10 | N09 | doub | 1.33Å | 1.29Å | Aromatic |
| N27 | C08 | doub | 1.33Å | 1.31Å | Aromatic |
| C15 | N17 | sing | 1.32Å | 1.31Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.74Å | |
| N09 | C08 | sing | 1.33Å | 1.32Å | Aromatic |
| C08 | N07 | sing | 1.38Å | 1.43Å | |
| F04 | C03 | sing | 1.40Å | 1.33Å | |
| N07 | C02 | sing | 1.46Å | 1.44Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C03 | F05 | sing | 1.40Å | 1.33Å | |
| C03 | F06 | sing | 1.40Å | 1.33Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| N07 | H12 | sing | 0.97Å | 1.00Å | |
| N20 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C23 | 111.4° | 109.5° |
| C22 | C21 | N20 | 105.6° | 109.5° |
| C22 | C21 | H2 | 108.6° | 109.5° |
| C21 | C22 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 109.4° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| F26 | C23 | F25 | 108.4° | 109.5° |
| F26 | C23 | C21 | 113.2° | 109.5° |
| F26 | C23 | F24 | 107.8° | 109.5° |
| F25 | C23 | C21 | 107.7° | 109.5° |
| F25 | C23 | F24 | 109.2° | 109.5° |
| C21 | C23 | F24 | 110.5° | 109.5° |
| C23 | C21 | N20 | 113.1° | 109.5° |
| C23 | C21 | H2 | 108.3° | 109.5° |
| C21 | N20 | C19 | 125.1° | 120.0° |
| N20 | C21 | H2 | 109.8° | 109.5° |
| C21 | N20 | H13 | 105.4° | 120.0° |
| N20 | C19 | N18 | 113.9° | 120.0° |
| N20 | C19 | N27 | 124.0° | 120.0° |
| C19 | N20 | H13 | 105.4° | 120.0° |
| C12 | C13 | C14 | 114.4° | 118.5° |
| C13 | C12 | C11 | 124.4° | 119.1° |
| C12 | C13 | H1 | 122.8° | 120.8° |
| C13 | C12 | H10 | 117.7° | 120.5° |
| C13 | C14 | C15 | 117.3° | 119.4° |
| C14 | C13 | H1 | 122.8° | 120.7° |
| C13 | C14 | H11 | 121.4° | 120.3° |
| C12 | C11 | C10 | 122.8° | 119.7° |
| C12 | C11 | N17 | 118.4° | 120.6° |
| C11 | C12 | H10 | 117.8° | 120.4° |
| C19 | N18 | C10 | 121.8° | 120.0° |
| N18 | C19 | N27 | 122.1° | 120.0° |
| N18 | C10 | C11 | 119.1° | 120.0° |
| N18 | C10 | N09 | 117.2° | 120.0° |
| C19 | N27 | C08 | 116.2° | 120.0° |
| C14 | C15 | N17 | 126.3° | 120.8° |
| C14 | C15 | CL1 | 122.8° | 119.6° |
| C15 | C14 | H11 | 121.4° | 120.3° |
| C10 | C11 | N17 | 118.8° | 119.7° |
| C11 | C10 | N09 | 123.6° | 120.0° |
| C11 | N17 | C15 | 119.1° | 121.6° |
| C10 | N09 | C08 | 121.7° | 120.0° |
| N27 | C08 | N09 | 121.0° | 120.0° |
| N27 | C08 | N07 | 122.2° | 120.0° |
| N17 | C15 | CL1 | 110.9° | 119.6° |
| N09 | C08 | N07 | 116.8° | 120.0° |
| C08 | N07 | C02 | 125.1° | 120.0° |
| C08 | N07 | H12 | 105.4° | 120.0° |
| F04 | C03 | C02 | 110.9° | 109.4° |
| F04 | C03 | F05 | 110.2° | 109.4° |
| F04 | C03 | F06 | 106.1° | 109.5° |
| N07 | C02 | C03 | 113.0° | 109.5° |
| N07 | C02 | C01 | 111.2° | 109.5° |
| N07 | C02 | H9 | 109.1° | 109.5° |
| C02 | N07 | H12 | 105.4° | 120.0° |
| C03 | C02 | C01 | 107.2° | 109.5° |
| C02 | C03 | F05 | 106.8° | 109.4° |
| C02 | C03 | F06 | 113.0° | 109.5° |
| C03 | C02 | H9 | 108.1° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 108.1° | 109.4° |
| F05 | C03 | F06 | 110.0° | 109.5° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.4° | 109.4° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C23 | F26 | 55.8° | 180.0° |
| C22 | C21 | C23 | F25 | 64.0° | 60.0° |
| C22 | C21 | C23 | N20 | 118.7° | 120.0° |
| C22 | C21 | C23 | H2 | 119.4° | 120.0° |
| C22 | C21 | C23 | F24 | 176.8° | 60.0° |
| C22 | C21 | N20 | H2 | 116.9° | 120.0° |
| C22 | C21 | N20 | C19 | 160.4° | 85.0° |
| C21 | C22 | H3 | H4 | 120.0° | 120.1° |
| C21 | C22 | H3 | H5 | 120.0° | 120.0° |
| C21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C22 | C21 | N20 | H13 | 38.3° | 95.0° |
| F26 | C23 | F25 | C21 | 122.8° | 120.0° |
| F26 | C23 | F25 | F24 | 117.1° | 120.0° |
| F26 | C23 | C21 | F24 | 121.0° | 120.0° |
| F26 | C23 | C21 | N20 | 62.9° | 60.0° |
| F26 | C23 | C21 | H2 | 175.2° | 60.0° |
| F25 | C23 | C21 | F24 | 119.2° | 120.0° |
| F25 | C23 | C21 | N20 | 177.3° | 180.0° |
| F25 | C23 | C21 | H2 | 55.4° | 60.0° |
| C23 | C21 | N20 | H2 | 121.1° | 120.0° |
| C23 | C21 | N20 | C19 | 77.5° | 155.0° |
| C23 | C21 | C22 | H3 | 180.0° | 60.0° |
| C23 | C21 | C22 | H4 | 60.0° | 180.0° |
| C23 | C21 | C22 | H5 | 60.0° | 60.0° |
| C23 | C21 | N20 | H13 | 160.4° | 25.0° |
| F24 | C23 | C21 | N20 | 58.1° | 60.0° |
| F24 | C23 | C21 | H2 | 63.8° | 179.9° |
| C21 | N20 | C19 | H13 | 122.1° | 180.0° |
| C21 | N20 | C19 | N18 | 160.8° | 0.8° |
| C21 | N20 | C19 | N27 | 20.2° | 180.0° |
| N20 | C21 | C22 | H3 | 56.9° | 60.0° |
| N20 | C21 | C22 | H4 | 176.9° | 60.0° |
| N20 | C21 | C22 | H5 | 63.1° | 180.0° |
| N20 | C19 | N18 | N27 | 179.0° | 179.2° |
| N20 | C19 | N18 | C10 | 179.6° | 179.7° |
| N20 | C19 | N27 | C08 | 179.3° | 180.0° |
| C19 | N20 | C21 | H2 | 43.5° | 35.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.1° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C13 | C12 | C11 | N17 | 0.7° | 0.1° |
| C12 | C13 | C14 | H11 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | N17 | 0.0° | 0.1° |
| C13 | C14 | C15 | CL1 | 179.6° | 180.0° |
| C14 | C13 | C12 | H10 | 179.7° | 179.9° |
| C12 | C11 | C10 | N18 | 21.4° | 0.2° |
| C12 | C11 | C10 | N17 | 179.6° | 179.9° |
| C12 | C11 | C10 | N09 | 155.4° | 180.0° |
| C12 | C11 | N17 | C15 | 1.4° | 0.1° |
| C11 | C12 | C13 | H1 | 179.6° | 179.7° |
| C19 | N18 | C10 | C11 | 177.7° | 179.7° |
| C19 | N18 | C10 | N09 | 0.8° | 0.0° |
| N18 | C19 | N27 | C08 | 0.4° | 0.8° |
| N18 | C19 | N20 | H13 | 77.1° | 179.2° |
| C10 | N18 | C19 | N27 | 0.6° | 0.5° |
| N18 | C10 | C11 | N09 | 176.8° | 179.8° |
| N18 | C10 | C11 | N17 | 159.0° | 179.7° |
| N18 | C10 | N09 | C08 | 2.4° | 0.2° |
| C19 | N27 | C08 | N09 | 1.2° | 0.6° |
| C19 | N27 | C08 | N07 | 180.0° | 179.5° |
| N27 | C19 | N20 | H13 | 101.9° | 0.0° |
| C14 | C15 | N17 | C11 | 1.1° | 0.1° |
| C14 | C15 | N17 | CL1 | 179.7° | 179.9° |
| C15 | C14 | C13 | H1 | 179.3° | 179.7° |
| C10 | C11 | N17 | C15 | 179.0° | 180.0° |
| C11 | C10 | N09 | C08 | 179.2° | 180.0° |
| C10 | C11 | C12 | H10 | 0.4° | 0.0° |
| N17 | C11 | C10 | N09 | 24.2° | 0.1° |
| C11 | N17 | C15 | CL1 | 179.2° | 180.0° |
| N17 | C11 | C12 | H10 | 179.3° | 179.9° |
| C10 | N09 | C08 | N27 | 2.7° | 0.1° |
| C10 | N09 | C08 | N07 | 178.4° | 180.0° |
| N27 | C08 | N09 | N07 | 178.9° | 179.9° |
| N27 | C08 | N07 | C02 | 8.1° | 179.9° |
| N27 | C08 | N07 | H12 | 130.2° | 0.1° |
| N17 | C15 | C14 | H11 | 180.0° | 180.0° |
| CL1 | C15 | C14 | H11 | 0.3° | 0.1° |
| N09 | C08 | N07 | C02 | 173.1° | 0.0° |
| N09 | C08 | N07 | H12 | 51.0° | 180.0° |
| C08 | N07 | C02 | H12 | 122.1° | 180.0° |
| C08 | N07 | C02 | C03 | 82.6° | 154.9° |
| C08 | N07 | C02 | C01 | 156.8° | 85.0° |
| C08 | N07 | C02 | H9 | 37.6° | 35.0° |
| F04 | C03 | C02 | N07 | 56.0° | 60.1° |
| F04 | C03 | C02 | F05 | 120.0° | 119.9° |
| F04 | C03 | C02 | F06 | 118.9° | 120.0° |
| F04 | C03 | C02 | C01 | 178.9° | 60.0° |
| F04 | C03 | F05 | F06 | 116.6° | 120.0° |
| F04 | C03 | C02 | H9 | 64.8° | 180.0° |
| N07 | C02 | C03 | C01 | 122.8° | 120.1° |
| N07 | C02 | C03 | H9 | 120.9° | 120.0° |
| N07 | C02 | C01 | H9 | 119.7° | 120.0° |
| N07 | C02 | C03 | F05 | 176.1° | 180.0° |
| N07 | C02 | C03 | F06 | 62.9° | 60.0° |
| N07 | C02 | C01 | H6 | 180.0° | 60.0° |
| N07 | C02 | C01 | H7 | 60.0° | 60.0° |
| N07 | C02 | C01 | H8 | 60.0° | 180.0° |
| C03 | C02 | C01 | H9 | 116.3° | 120.0° |
| C02 | C03 | F05 | F06 | 122.9° | 120.0° |
| C03 | C02 | C01 | H6 | 56.0° | 60.0° |
| C03 | C02 | C01 | H7 | 64.0° | 180.0° |
| C03 | C02 | C01 | H8 | 176.0° | 59.9° |
| C03 | C02 | N07 | H12 | 39.5° | 25.0° |
| C01 | C02 | C03 | F05 | 61.1° | 59.9° |
| C01 | C02 | C03 | F06 | 59.9° | 180.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.1° |
| C01 | C02 | N07 | H12 | 81.1° | 95.0° |
| F05 | C03 | C02 | H9 | 55.2° | 60.1° |
| F06 | C03 | C02 | H9 | 176.2° | 60.0° |
| H1 | C13 | C12 | H10 | 0.4° | 0.3° |
| H1 | C13 | C14 | H11 | 0.7° | 0.2° |
| H2 | C21 | C22 | H3 | 60.8° | 180.0° |
| H2 | C21 | C22 | H4 | 59.2° | 60.0° |
| H2 | C21 | C22 | H5 | 179.2° | 60.0° |
| H2 | C21 | N20 | H13 | 78.6° | 145.0° |
| H3 | C22 | H4 | H5 | 120.0° | 119.9° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 60.3° | 180.0° |
| H7 | C01 | C02 | H9 | 179.7° | 60.0° |
| H8 | C01 | C02 | H9 | 59.7° | 60.0° |
| H9 | C02 | N07 | H12 | 159.7° | 145.0° |
