U11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F29 | C9 | sing | 1.40Å | 1.34Å | |
| C9 | F30 | sing | 1.40Å | 1.32Å | |
| C9 | F31 | sing | 1.40Å | 1.33Å | |
| C9 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | N24 | sing | 1.47Å | 1.46Å | |
| C11 | C23 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N24 | H241 | sing | 1.01Å | 1.00Å | |
| N24 | H242 | sing | 1.01Å | 1.00Å | |
| C23 | O27 | sing | 1.43Å | 1.43Å | |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| C25 | O31 | doub | 1.21Å | 1.23Å | |
| C25 | N32 | sing | 1.35Å | 1.33Å | |
| N32 | C33 | sing | 1.46Å | 1.44Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C33 | C37 | sing | 1.53Å | 1.51Å | |
| C33 | C36 | sing | 1.51Å | 1.49Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C36 | O41 | doub | 1.21Å | 1.21Å | |
| C36 | N42 | sing | 1.35Å | 1.33Å | |
| N42 | C43 | sing | 1.46Å | 1.45Å | |
| N42 | HN42 | sing | 0.97Å | 1.00Å | |
| C43 | C47 | sing | 1.51Å | 1.51Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C47 | O60 | doub | 1.21Å | 1.23Å | |
| C47 | O61 | sing | 1.34Å | 1.45Å | |
| O61 | C62 | sing | 1.45Å | 1.43Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C62 | H623 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F29 | C9 | F30 | 107.8° | 109.4° |
| F29 | C9 | F31 | 109.3° | 109.5° |
| F29 | C9 | C5 | 105.6° | 109.4° |
| F30 | C9 | F31 | 108.6° | 109.5° |
| F30 | C9 | C5 | 109.5° | 109.4° |
| F31 | C9 | C5 | 115.8° | 109.5° |
| C9 | C5 | C2 | 120.8° | 120.0° |
| C9 | C5 | C6 | 119.5° | 120.0° |
| C2 | C5 | C6 | 119.7° | 120.0° |
| C5 | C2 | C4 | 120.5° | 120.0° |
| C5 | C2 | H2 | 119.8° | 120.0° |
| C5 | C6 | C3 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C4 | C2 | H2 | 119.8° | 120.0° |
| C2 | C4 | C7 | 120.5° | 120.0° |
| C2 | C4 | H4 | 119.7° | 120.0° |
| C7 | C4 | H4 | 119.8° | 120.0° |
| C4 | C7 | C3 | 117.9° | 120.0° |
| C4 | C7 | C11 | 120.7° | 120.0° |
| C3 | C6 | H6 | 120.1° | 120.0° |
| C6 | C3 | C7 | 121.7° | 120.0° |
| C6 | C3 | H3 | 119.2° | 120.0° |
| C7 | C3 | H3 | 119.2° | 120.0° |
| C3 | C7 | C11 | 121.3° | 120.0° |
| C7 | C11 | N24 | 114.1° | 109.5° |
| C7 | C11 | C23 | 110.7° | 109.5° |
| C7 | C11 | H11 | 107.0° | 109.5° |
| N24 | C11 | C23 | 114.0° | 109.5° |
| N24 | C11 | H11 | 103.2° | 109.5° |
| C11 | N24 | H241 | 109.5° | 106.7° |
| C11 | N24 | H242 | 109.4° | 106.7° |
| C23 | C11 | H11 | 107.2° | 109.4° |
| C11 | C23 | O27 | 110.9° | 109.4° |
| C11 | C23 | C25 | 105.9° | 109.5° |
| C11 | C23 | H23 | 110.2° | 109.5° |
| H241 | N24 | H242 | 109.5° | 106.8° |
| O27 | C23 | C25 | 107.5° | 109.5° |
| O27 | C23 | H23 | 108.7° | 109.5° |
| C23 | O27 | HO27 | 109.5° | 106.8° |
| C25 | C23 | H23 | 113.5° | 109.5° |
| C23 | C25 | O31 | 119.1° | 120.0° |
| C23 | C25 | N32 | 115.9° | 120.0° |
| O31 | C25 | N32 | 125.0° | 120.0° |
| C25 | N32 | C33 | 121.3° | 120.0° |
| C25 | N32 | HN32 | 119.3° | 120.0° |
| C33 | N32 | HN32 | 119.4° | 120.0° |
| N32 | C33 | C37 | 109.2° | 109.5° |
| N32 | C33 | C36 | 108.8° | 109.5° |
| N32 | C33 | H33 | 109.8° | 109.5° |
| C37 | C33 | C36 | 108.5° | 109.4° |
| C37 | C33 | H33 | 110.1° | 109.5° |
| C33 | C37 | H371 | 109.5° | 109.4° |
| C33 | C37 | H372 | 109.4° | 109.4° |
| C33 | C37 | H373 | 109.5° | 109.5° |
| C36 | C33 | H33 | 110.5° | 109.5° |
| C33 | C36 | O41 | 122.9° | 120.0° |
| C33 | C36 | N42 | 117.1° | 120.1° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| O41 | C36 | N42 | 120.0° | 120.0° |
| C36 | N42 | C43 | 126.9° | 120.1° |
| C36 | N42 | HN42 | 116.5° | 120.0° |
| C43 | N42 | HN42 | 116.6° | 120.0° |
| N42 | C43 | C47 | 102.8° | 109.5° |
| N42 | C43 | H431 | 111.7° | 109.5° |
| N42 | C43 | H432 | 113.2° | 109.4° |
| C47 | C43 | H431 | 111.8° | 109.5° |
| C47 | C43 | H432 | 113.2° | 109.4° |
| C43 | C47 | O60 | 121.6° | 120.0° |
| C43 | C47 | O61 | 120.4° | 120.0° |
| H431 | C43 | H432 | 104.4° | 109.5° |
| O60 | C47 | O61 | 118.0° | 120.0° |
| C47 | O61 | C62 | 119.5° | 120.0° |
| O61 | C62 | H621 | 109.5° | 109.5° |
| O61 | C62 | H622 | 109.5° | 109.5° |
| O61 | C62 | H623 | 109.5° | 109.5° |
| H621 | C62 | H622 | 109.4° | 109.4° |
| H621 | C62 | H623 | 109.5° | 109.5° |
| H622 | C62 | H623 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F29 | C9 | F30 | F31 | 118.3° | 120.0° |
| F29 | C9 | F30 | C5 | 114.4° | 119.9° |
| F29 | C9 | F31 | C5 | 119.0° | 120.0° |
| F29 | C9 | C5 | C2 | 84.6° | 150.0° |
| F29 | C9 | C5 | C6 | 93.3° | 29.9° |
| F30 | C9 | F31 | C5 | 123.7° | 120.0° |
| F30 | C9 | C5 | C2 | 159.6° | 90.1° |
| F30 | C9 | C5 | C6 | 22.5° | 90.0° |
| F31 | C9 | C5 | C2 | 36.4° | 30.0° |
| F31 | C9 | C5 | C6 | 145.7° | 149.9° |
| C9 | C5 | C2 | C6 | 177.9° | 179.9° |
| C9 | C5 | C2 | C4 | 177.7° | 179.9° |
| C9 | C5 | C2 | H2 | 2.3° | 0.1° |
| C9 | C5 | C6 | C3 | 178.5° | 179.9° |
| C9 | C5 | C6 | H6 | 1.5° | 0.0° |
| C5 | C2 | C4 | H2 | 180.0° | 179.8° |
| C5 | C2 | C4 | C7 | 0.0° | 0.5° |
| C5 | C2 | C4 | H4 | 179.9° | 180.0° |
| C2 | C5 | C6 | C3 | 0.6° | 0.0° |
| C2 | C5 | C6 | H6 | 179.4° | 180.0° |
| C6 | C5 | C2 | C4 | 0.2° | 0.2° |
| C6 | C5 | C2 | H2 | 179.9° | 180.0° |
| C5 | C6 | C3 | H6 | 180.0° | 180.0° |
| C5 | C6 | C3 | C7 | 1.6° | 0.1° |
| C5 | C6 | C3 | H3 | 178.4° | 180.0° |
| C2 | C4 | C7 | H4 | 180.0° | 179.5° |
| C2 | C4 | C7 | C3 | 0.9° | 0.5° |
| C2 | C4 | C7 | C11 | 179.2° | 179.8° |
| H2 | C2 | C4 | C7 | 180.0° | 179.7° |
| H2 | C2 | C4 | H4 | 0.1° | 0.2° |
| C4 | C7 | C3 | C6 | 1.7° | 0.3° |
| C4 | C7 | C3 | C11 | 178.3° | 179.7° |
| C4 | C7 | C3 | H3 | 178.3° | 179.7° |
| C4 | C7 | C11 | N24 | 51.5° | 40.3° |
| C4 | C7 | C11 | C23 | 78.7° | 79.8° |
| C4 | C7 | C11 | H11 | 164.9° | 160.3° |
| H4 | C4 | C7 | C3 | 179.2° | 180.0° |
| H4 | C4 | C7 | C11 | 0.8° | 0.3° |
| C6 | C3 | C7 | H3 | 180.0° | 180.0° |
| C6 | C3 | C7 | C11 | 180.0° | 180.0° |
| H6 | C6 | C3 | C7 | 178.4° | 179.9° |
| H6 | C6 | C3 | H3 | 1.6° | 0.0° |
| C3 | C7 | C11 | N24 | 130.3° | 140.0° |
| C3 | C7 | C11 | C23 | 99.6° | 99.9° |
| C3 | C7 | C11 | H11 | 16.8° | 20.0° |
| H3 | C3 | C7 | C11 | 0.0° | 0.0° |
| C7 | C11 | N24 | C23 | 128.5° | 120.1° |
| C7 | C11 | N24 | H11 | 115.7° | 120.0° |
| C7 | C11 | C23 | H11 | 116.3° | 120.0° |
| C7 | C11 | N24 | H241 | 103.3° | 53.8° |
| C7 | C11 | N24 | H242 | 16.7° | 60.0° |
| C7 | C11 | C23 | O27 | 175.5° | 55.0° |
| C7 | C11 | C23 | C25 | 68.2° | 175.0° |
| C7 | C11 | C23 | H23 | 55.0° | 64.9° |
| N24 | C11 | C23 | H11 | 113.5° | 120.0° |
| C11 | N24 | H241 | H242 | 120.0° | 113.8° |
| N24 | C11 | C23 | O27 | 45.3° | 65.0° |
| N24 | C11 | C23 | C25 | 161.6° | 54.9° |
| N24 | C11 | C23 | H23 | 75.2° | 175.0° |
| C23 | C11 | N24 | H241 | 128.2° | 173.9° |
| C23 | C11 | N24 | H242 | 111.8° | 60.1° |
| C11 | C23 | O27 | C25 | 115.3° | 120.0° |
| C11 | C23 | O27 | H23 | 121.4° | 120.0° |
| C11 | C23 | C25 | H23 | 121.1° | 120.0° |
| C11 | C23 | O27 | HO27 | 95.7° | 60.0° |
| C11 | C23 | C25 | O31 | 75.1° | 115.0° |
| C11 | C23 | C25 | N32 | 103.7° | 65.1° |
| H11 | C11 | N24 | H241 | 12.4° | 66.2° |
| H11 | C11 | N24 | H242 | 132.4° | 180.0° |
| H11 | C11 | C23 | O27 | 68.2° | 175.0° |
| H11 | C11 | C23 | C25 | 48.2° | 65.0° |
| H11 | C11 | C23 | H23 | 171.3° | 55.0° |
| O27 | C23 | C25 | H23 | 120.3° | 120.0° |
| O27 | C23 | C25 | O31 | 43.5° | 5.0° |
| O27 | C23 | C25 | N32 | 137.7° | 175.0° |
| C25 | C23 | O27 | HO27 | 19.6° | 60.0° |
| C23 | C25 | O31 | N32 | 178.7° | 179.9° |
| C23 | C25 | N32 | C33 | 177.0° | 180.0° |
| C23 | C25 | N32 | HN32 | 3.1° | 0.0° |
| H23 | C23 | O27 | HO27 | 142.9° | 180.0° |
| H23 | C23 | C25 | O31 | 163.8° | 125.0° |
| H23 | C23 | C25 | N32 | 17.4° | 55.0° |
| O31 | C25 | N32 | C33 | 1.8° | 0.0° |
| O31 | C25 | N32 | HN32 | 178.2° | 180.0° |
| C25 | N32 | C33 | HN32 | 180.0° | 180.0° |
| C25 | N32 | C33 | C37 | 81.7° | 85.1° |
| C25 | N32 | C33 | C36 | 160.0° | 155.0° |
| C25 | N32 | C33 | H33 | 39.0° | 35.0° |
| N32 | C33 | C37 | C36 | 118.4° | 120.0° |
| N32 | C33 | C37 | H33 | 120.6° | 120.1° |
| N32 | C33 | C36 | H33 | 120.6° | 120.1° |
| N32 | C33 | C37 | H371 | 163.1° | 180.0° |
| N32 | C33 | C37 | H372 | 43.1° | 60.1° |
| N32 | C33 | C37 | H373 | 76.9° | 60.0° |
| N32 | C33 | C36 | O41 | 33.1° | 0.0° |
| N32 | C33 | C36 | N42 | 148.0° | 180.0° |
| HN32 | N32 | C33 | C37 | 98.2° | 95.0° |
| HN32 | N32 | C33 | C36 | 20.0° | 25.0° |
| HN32 | N32 | C33 | H33 | 141.0° | 145.0° |
| C37 | C33 | C36 | H33 | 120.8° | 120.0° |
| C33 | C37 | H371 | H372 | 120.0° | 119.9° |
| C33 | C37 | H371 | H373 | 120.0° | 120.0° |
| C33 | C37 | H372 | H373 | 120.0° | 120.0° |
| C37 | C33 | C36 | O41 | 85.6° | 120.0° |
| C37 | C33 | C36 | N42 | 93.3° | 60.0° |
| C36 | C33 | C37 | H371 | 78.5° | 60.1° |
| C36 | C33 | C37 | H372 | 161.5° | 180.0° |
| C36 | C33 | C37 | H373 | 41.5° | 60.0° |
| C33 | C36 | O41 | N42 | 178.9° | 180.0° |
| C33 | C36 | N42 | C43 | 177.6° | 180.0° |
| C33 | C36 | N42 | HN42 | 2.4° | 0.0° |
| H33 | C33 | C37 | H371 | 42.5° | 59.9° |
| H33 | C33 | C37 | H372 | 77.5° | 60.0° |
| H33 | C33 | C37 | H373 | 162.5° | 179.9° |
| H33 | C33 | C36 | O41 | 153.6° | 120.0° |
| H33 | C33 | C36 | N42 | 27.5° | 59.9° |
| H371 | C37 | H372 | H373 | 120.0° | 120.1° |
| O41 | C36 | N42 | C43 | 1.3° | 0.0° |
| O41 | C36 | N42 | HN42 | 178.7° | 180.0° |
| C36 | N42 | C43 | HN42 | 180.0° | 180.0° |
| C36 | N42 | C43 | C47 | 86.1° | 180.0° |
| C36 | N42 | C43 | H431 | 33.9° | 60.0° |
| C36 | N42 | C43 | H432 | 151.4° | 60.0° |
| N42 | C43 | C47 | H431 | 120.0° | 120.1° |
| N42 | C43 | C47 | H432 | 122.4° | 120.0° |
| N42 | C43 | H431 | H432 | 122.7° | 120.0° |
| N42 | C43 | C47 | O60 | 12.3° | 0.1° |
| N42 | C43 | C47 | O61 | 167.1° | 180.0° |
| HN42 | N42 | C43 | C47 | 93.8° | 0.0° |
| HN42 | N42 | C43 | H431 | 146.2° | 120.0° |
| HN42 | N42 | C43 | H432 | 28.6° | 120.0° |
| C47 | C43 | H431 | H432 | 122.7° | 119.9° |
| C43 | C47 | O60 | O61 | 179.4° | 180.0° |
| C43 | C47 | O61 | C62 | 146.8° | 180.0° |
| H431 | C43 | C47 | O60 | 132.2° | 120.0° |
| H431 | C43 | C47 | O61 | 47.1° | 60.0° |
| H432 | C43 | C47 | O60 | 110.2° | 120.0° |
| H432 | C43 | C47 | O61 | 70.5° | 60.0° |
| O60 | C47 | O61 | C62 | 33.8° | 0.0° |
| C47 | O61 | C62 | H621 | 133.9° | 180.0° |
| C47 | O61 | C62 | H622 | 106.1° | 60.0° |
| C47 | O61 | C62 | H623 | 13.9° | 60.0° |
| O61 | C62 | H621 | H622 | 120.0° | 120.0° |
| O61 | C62 | H621 | H623 | 120.0° | 120.0° |
| O61 | C62 | H622 | H623 | 120.0° | 120.0° |
| H621 | C62 | H622 | H623 | 120.0° | 120.0° |
