ULM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C5 | sing | 1.40Å | 1.38Å | |
| C5 | C9 | sing | 1.54Å | 1.54Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| F16 | C14 | sing | 1.40Å | 1.30Å | |
| C6 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C2 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.51Å | |
| C13 | C10 | sing | 1.54Å | 1.53Å | |
| O1 | C2 | sing | 1.36Å | 1.35Å | |
| O1 | C10 | sing | 1.43Å | 1.41Å | |
| C14 | C12 | sing | 1.54Å | 1.52Å | |
| C14 | F15 | sing | 1.40Å | 1.31Å | |
| C7 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C10 | sing | 1.54Å | 1.53Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.51Å | 1.51Å | |
| C1 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| F14 | C11 | sing | 1.40Å | 1.29Å | |
| C3 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| F13 | C11 | sing | 1.40Å | 1.31Å | |
| C11 | F12 | sing | 1.40Å | 1.31Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C5 | C9 | 113.2° | 110.8° |
| F1 | C5 | C6 | 113.0° | 110.8° |
| F1 | C5 | H4 | 108.6° | 110.9° |
| C9 | C5 | C6 | 108.3° | 102.4° |
| C5 | C9 | C8 | 98.8° | 105.2° |
| C5 | C9 | H2 | 112.1° | 110.3° |
| C5 | C9 | H3 | 112.1° | 110.4° |
| C9 | C5 | H4 | 106.6° | 110.8° |
| C5 | C6 | O2 | 108.3° | 110.3° |
| C5 | C6 | C7 | 102.8° | 105.2° |
| C6 | C5 | H4 | 106.8° | 110.8° |
| C5 | C6 | H5 | 111.5° | 110.3° |
| C9 | C8 | C7 | 113.4° | 109.9° |
| C9 | C8 | C2 | 127.0° | 131.5° |
| C8 | C9 | H2 | 112.1° | 110.3° |
| C8 | C9 | H3 | 112.1° | 110.3° |
| F16 | C14 | C13 | 116.4° | 113.6° |
| F16 | C14 | C12 | 115.3° | 113.7° |
| F16 | C14 | F15 | 107.4° | 112.9° |
| O2 | C6 | C7 | 108.9° | 110.3° |
| O2 | C6 | H5 | 112.7° | 110.3° |
| C6 | O2 | H6 | 109.5° | 114.1° |
| C6 | C7 | C8 | 110.0° | 109.6° |
| C6 | C7 | C1 | 129.6° | 131.2° |
| C7 | C6 | H5 | 112.2° | 110.4° |
| C7 | C8 | C2 | 119.5° | 118.5° |
| C8 | C7 | C1 | 120.4° | 119.1° |
| C8 | C2 | O1 | 117.8° | 120.5° |
| C8 | C2 | C3 | 119.6° | 119.0° |
| C14 | C13 | C10 | 87.5° | 87.0° |
| C13 | C14 | C12 | 91.4° | 87.1° |
| C13 | C14 | F15 | 114.3° | 113.6° |
| C14 | C13 | H10 | 114.7° | 113.6° |
| C14 | C13 | H11 | 114.7° | 113.6° |
| C13 | C10 | O1 | 110.6° | 113.6° |
| C13 | C10 | C12 | 90.1° | 87.2° |
| C13 | C10 | H7 | 113.1° | 113.6° |
| C10 | C13 | H10 | 114.7° | 113.7° |
| C10 | C13 | H11 | 114.7° | 113.5° |
| C2 | O1 | C10 | 119.0° | 117.0° |
| O1 | C2 | C3 | 122.5° | 120.5° |
| O1 | C10 | C12 | 111.9° | 113.6° |
| O1 | C10 | H7 | 115.3° | 112.8° |
| C12 | C14 | F15 | 111.6° | 113.5° |
| C14 | C12 | C10 | 87.2° | 87.1° |
| C14 | C12 | H8 | 114.7° | 113.6° |
| C14 | C12 | H9 | 114.7° | 113.7° |
| C7 | C1 | C11 | 123.3° | 119.6° |
| C7 | C1 | N4 | 119.2° | 120.9° |
| C12 | C10 | H7 | 113.1° | 113.7° |
| C10 | C12 | H8 | 114.7° | 113.6° |
| C10 | C12 | H9 | 114.7° | 113.6° |
| C2 | C3 | N4 | 120.4° | 120.6° |
| C2 | C3 | H1 | 119.8° | 119.7° |
| C11 | C1 | N4 | 117.5° | 119.6° |
| C1 | C11 | F14 | 106.8° | 109.5° |
| C1 | C11 | F13 | 113.5° | 109.5° |
| C1 | C11 | F12 | 112.1° | 109.5° |
| C1 | N4 | C3 | 120.8° | 121.9° |
| F14 | C11 | F13 | 109.3° | 109.4° |
| F14 | C11 | F12 | 106.0° | 109.4° |
| N4 | C3 | H1 | 119.8° | 119.7° |
| F13 | C11 | F12 | 108.8° | 109.5° |
| H2 | C9 | H3 | 109.4° | 110.2° |
| H8 | C12 | H9 | 109.5° | 112.8° |
| H10 | C13 | H11 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C5 | C9 | C6 | 126.1° | 118.2° |
| F1 | C5 | C9 | H4 | 119.3° | 123.6° |
| F1 | C5 | C6 | H4 | 119.4° | 123.5° |
| F1 | C5 | C9 | C8 | 150.7° | 92.1° |
| F1 | C5 | C6 | O2 | 36.4° | 26.8° |
| F1 | C5 | C6 | C7 | 151.5° | 92.1° |
| F1 | C5 | C9 | H2 | 32.5° | 148.9° |
| F1 | C5 | C9 | H3 | 91.0° | 26.9° |
| F1 | C5 | C6 | H5 | 88.1° | 148.9° |
| C9 | C5 | C6 | H4 | 114.4° | 118.2° |
| C5 | C9 | C8 | H2 | 118.3° | 118.9° |
| C5 | C9 | C8 | H3 | 118.2° | 119.0° |
| C9 | C5 | C6 | O2 | 89.7° | 145.1° |
| C9 | C5 | C6 | C7 | 25.4° | 26.2° |
| C5 | C9 | C8 | C7 | 15.8° | 17.0° |
| C5 | C9 | C8 | C2 | 165.9° | 163.0° |
| C5 | C9 | H2 | H3 | 125.0° | 122.1° |
| C9 | C5 | C6 | H5 | 145.7° | 92.9° |
| C6 | C5 | C9 | C8 | 24.7° | 26.1° |
| C5 | C6 | O2 | C7 | 111.0° | 115.8° |
| C5 | C6 | O2 | H5 | 123.8° | 122.0° |
| C5 | C6 | C7 | H5 | 119.9° | 119.0° |
| C5 | C6 | C7 | C8 | 15.2° | 17.1° |
| C5 | C6 | C7 | C1 | 164.2° | 162.9° |
| C6 | C5 | C9 | H2 | 93.6° | 92.8° |
| C6 | C5 | C9 | H3 | 142.9° | 145.1° |
| C5 | C6 | O2 | H6 | 180.0° | 61.5° |
| C9 | C8 | C7 | C6 | 0.7° | 0.1° |
| C9 | C8 | C7 | C2 | 178.5° | 180.0° |
| C9 | C8 | C2 | O1 | 2.5° | 0.3° |
| C9 | C8 | C7 | C1 | 179.9° | 180.0° |
| C9 | C8 | C2 | C3 | 179.4° | 180.0° |
| C8 | C9 | H2 | H3 | 125.0° | 122.1° |
| C8 | C9 | C5 | H4 | 89.9° | 144.3° |
| F16 | C14 | C13 | C12 | 119.2° | 114.6° |
| F16 | C14 | C13 | F15 | 126.3° | 130.9° |
| F16 | C14 | C13 | C10 | 134.0° | 140.0° |
| F16 | C14 | C12 | F15 | 122.9° | 130.9° |
| F16 | C14 | C12 | C10 | 135.0° | 139.9° |
| F16 | C14 | C12 | H8 | 109.0° | 25.3° |
| F16 | C14 | C12 | H9 | 19.0° | 105.5° |
| F16 | C14 | C13 | H10 | 18.0° | 105.4° |
| F16 | C14 | C13 | H11 | 109.9° | 25.5° |
| O2 | C6 | C7 | H5 | 125.4° | 122.1° |
| O2 | C6 | C7 | C8 | 99.5° | 136.0° |
| O2 | C6 | C7 | C1 | 81.1° | 44.0° |
| O2 | C6 | C5 | H4 | 155.8° | 96.7° |
| C6 | C7 | C8 | C1 | 179.5° | 180.0° |
| C6 | C7 | C8 | C2 | 179.1° | 180.0° |
| C6 | C7 | C1 | C11 | 0.6° | 0.1° |
| C6 | C7 | C1 | N4 | 178.3° | 180.0° |
| C7 | C6 | C5 | H4 | 89.1° | 144.4° |
| C7 | C6 | O2 | H6 | 68.9° | 177.3° |
| C7 | C8 | C2 | O1 | 179.3° | 179.8° |
| C7 | C8 | C2 | C3 | 2.4° | 0.0° |
| C8 | C7 | C1 | C11 | 178.7° | 180.0° |
| C8 | C7 | C1 | N4 | 1.0° | 0.0° |
| C7 | C8 | C9 | H2 | 102.5° | 101.9° |
| C7 | C8 | C9 | H3 | 134.0° | 136.0° |
| C8 | C7 | C6 | H5 | 135.1° | 101.9° |
| C8 | C2 | O1 | C3 | 176.8° | 179.7° |
| C8 | C2 | O1 | C10 | 170.1° | 173.9° |
| C2 | C8 | C7 | C1 | 1.4° | 0.0° |
| C8 | C2 | C3 | N4 | 1.0° | 0.0° |
| C8 | C2 | C3 | H1 | 179.0° | 179.9° |
| C2 | C8 | C9 | H2 | 75.9° | 78.1° |
| C2 | C8 | C9 | H3 | 47.6° | 43.9° |
| C14 | C13 | C10 | H10 | 116.1° | 114.5° |
| C14 | C13 | C10 | H11 | 116.1° | 114.4° |
| C14 | C13 | C10 | O1 | 128.2° | 140.0° |
| C13 | C14 | C12 | F15 | 116.8° | 114.5° |
| C14 | C13 | C10 | C12 | 14.6° | 25.4° |
| C14 | C13 | C10 | H7 | 100.7° | 89.3° |
| C13 | C14 | C12 | H8 | 130.8° | 89.2° |
| C13 | C14 | C12 | H9 | 101.2° | 139.9° |
| C14 | C13 | H10 | H11 | 130.5° | 131.2° |
| C13 | C10 | O1 | C2 | 179.2° | 105.8° |
| C13 | C10 | O1 | C12 | 98.9° | 97.6° |
| C13 | C10 | O1 | H7 | 129.9° | 131.1° |
| C10 | C13 | C14 | F15 | 99.7° | 89.1° |
| C13 | C10 | C12 | H7 | 115.3° | 114.6° |
| C13 | C10 | C12 | H8 | 130.6° | 89.2° |
| C13 | C10 | C12 | H9 | 101.4° | 140.0° |
| C10 | C13 | H10 | H11 | 130.5° | 131.3° |
| C2 | O1 | C10 | C12 | 82.0° | 156.6° |
| O1 | C2 | C3 | N4 | 177.7° | 179.8° |
| O1 | C2 | C3 | H1 | 2.3° | 0.3° |
| C2 | O1 | C10 | H7 | 49.2° | 25.3° |
| O1 | C10 | C12 | C14 | 126.9° | 140.0° |
| O1 | C10 | C12 | H7 | 132.3° | 130.8° |
| C10 | O1 | C2 | C3 | 6.6° | 5.8° |
| O1 | C10 | C12 | H8 | 117.1° | 25.4° |
| O1 | C10 | C12 | H9 | 10.9° | 105.4° |
| O1 | C10 | C13 | H10 | 12.2° | 105.5° |
| O1 | C10 | C13 | H11 | 115.7° | 25.5° |
| C14 | C12 | C10 | H8 | 116.0° | 114.6° |
| C14 | C12 | C10 | H9 | 116.0° | 114.6° |
| C14 | C12 | C10 | H7 | 100.7° | 89.2° |
| C14 | C12 | H8 | H9 | 130.6° | 131.3° |
| C12 | C14 | C13 | H10 | 101.3° | 140.0° |
| C12 | C14 | C13 | H11 | 130.8° | 89.1° |
| F15 | C14 | C12 | C10 | 102.1° | 89.1° |
| F15 | C14 | C12 | H8 | 13.9° | 156.3° |
| F15 | C14 | C12 | H9 | 141.9° | 25.4° |
| F15 | C14 | C13 | H10 | 144.2° | 25.5° |
| F15 | C14 | C13 | H11 | 16.3° | 156.5° |
| C7 | C1 | C11 | N4 | 177.7° | 179.9° |
| C7 | C1 | C11 | F14 | 72.5° | 30.0° |
| C7 | C1 | N4 | C3 | 2.5° | 0.0° |
| C7 | C1 | C11 | F13 | 48.0° | 150.0° |
| C7 | C1 | C11 | F12 | 171.8° | 90.0° |
| C1 | C7 | C6 | H5 | 44.3° | 78.1° |
| C10 | C12 | H8 | H9 | 130.6° | 131.2° |
| C12 | C10 | C13 | H10 | 101.4° | 139.9° |
| C12 | C10 | C13 | H11 | 130.7° | 89.1° |
| C2 | C3 | N4 | C1 | 1.5° | 0.0° |
| C2 | C3 | N4 | H1 | 180.0° | 179.9° |
| C1 | C11 | F14 | F13 | 123.1° | 120.0° |
| C1 | C11 | F14 | F12 | 119.7° | 120.0° |
| C11 | C1 | N4 | C3 | 179.8° | 180.0° |
| C1 | C11 | F13 | F12 | 125.5° | 120.0° |
| N4 | C1 | C11 | F14 | 105.2° | 150.0° |
| N4 | C1 | C11 | F13 | 134.3° | 30.0° |
| N4 | C1 | C11 | F12 | 10.6° | 90.0° |
| C1 | N4 | C3 | H1 | 178.5° | 180.0° |
| F14 | C11 | F13 | F12 | 115.4° | 119.9° |
| H2 | C9 | C5 | H4 | 151.8° | 25.4° |
| H3 | C9 | C5 | H4 | 28.3° | 96.7° |
| H4 | C5 | C6 | H5 | 31.3° | 25.3° |
| H5 | C6 | O2 | H6 | 56.2° | 60.6° |
| H7 | C10 | C12 | H8 | 15.3° | 156.2° |
| H7 | C10 | C12 | H9 | 143.3° | 25.4° |
| H7 | C10 | C13 | H10 | 143.2° | 25.2° |
| H7 | C10 | C13 | H11 | 15.4° | 156.3° |
