LFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C | sing | 1.47Å | 1.39Å | |
| C | O03 | sing | 1.35Å | 1.24Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| F | C11 | sing | 1.35Å | 1.30Å | |
| C16 | N | sing | 1.47Å | 1.50Å | |
| C08 | N | sing | 1.47Å | 1.50Å | |
| N | C07 | sing | 1.47Å | 1.49Å | |
| H01 | C01 | sing | 1.09Å | 1.10Å | |
| C07 | C01 | sing | 1.53Å | 1.55Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | N01 | sing | 1.47Å | 1.49Å | |
| C02 | N01 | sing | 1.47Å | 1.49Å | |
| N01 | C04 | sing | 1.40Å | 1.43Å | |
| O01 | C06 | sing | 1.36Å | 1.26Å | |
| O01 | C09 | sing | 1.43Å | 1.34Å | |
| C08 | C02 | sing | 1.53Å | 1.56Å | |
| H02A | C02 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C05 | N02 | sing | 1.38Å | 1.38Å | |
| C03 | N02 | sing | 1.47Å | 1.44Å | |
| N02 | C12 | sing | 1.34Å | 1.37Å | |
| C15 | O02 | doub | 1.22Å | 1.25Å | |
| C09 | C03 | sing | 1.53Å | 1.57Å | |
| C03 | C14 | sing | 1.53Å | 1.58Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| HO03 | O03 | sing | 0.97Å | 0.95Å | |
| C04 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| H07A | C07 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| H08 | C08 | sing | 1.09Å | 1.10Å | |
| H08A | C08 | sing | 1.09Å | 1.10Å | |
| H09A | C09 | sing | 1.09Å | 1.10Å | |
| H09 | C09 | sing | 1.09Å | 1.10Å | |
| C13 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.47Å | 1.41Å | |
| C11 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.41Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| H14 | C14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | C17 | sing | 1.47Å | 1.41Å | |
| H16A | C16 | sing | 1.09Å | 1.10Å | |
| H16B | C16 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C | O03 | 120.3° | 120.0° |
| C17 | C | O | 119.5° | 120.0° |
| C | C17 | C12 | 120.7° | 120.5° |
| C | C17 | C15 | 121.7° | 120.5° |
| O03 | C | O | 113.3° | 120.0° |
| C | O03 | HO03 | 109.5° | 117.0° |
| F | C11 | C04 | 120.4° | 119.9° |
| F | C11 | C13 | 117.9° | 120.0° |
| C16 | N | C08 | 119.3° | 111.0° |
| C16 | N | C07 | 115.8° | 111.0° |
| N | C16 | H16A | 109.5° | 109.5° |
| N | C16 | H16B | 109.5° | 109.5° |
| N | C16 | H16 | 109.5° | 109.5° |
| C08 | N | C07 | 112.9° | 110.9° |
| N | C08 | C02 | 111.1° | 109.4° |
| N | C08 | H08 | 108.9° | 109.5° |
| N | C08 | H08A | 109.0° | 109.5° |
| N | C07 | C01 | 110.7° | 109.3° |
| N | C07 | H07A | 109.0° | 109.5° |
| N | C07 | H07 | 109.0° | 109.5° |
| H01 | C01 | C07 | 108.7° | 109.5° |
| H01 | C01 | H01A | 110.3° | 109.5° |
| H01 | C01 | N01 | 108.7° | 109.5° |
| C07 | C01 | H01A | 108.7° | 109.5° |
| C07 | C01 | N01 | 111.8° | 109.4° |
| C01 | C07 | H07A | 109.1° | 109.5° |
| C01 | C07 | H07 | 109.1° | 109.5° |
| H01A | C01 | N01 | 108.7° | 109.5° |
| C01 | N01 | C02 | 116.7° | 110.9° |
| C01 | N01 | C04 | 117.1° | 111.0° |
| C02 | N01 | C04 | 125.8° | 111.0° |
| N01 | C02 | C08 | 108.3° | 109.3° |
| N01 | C02 | H02A | 109.9° | 109.5° |
| N01 | C02 | H02 | 109.9° | 109.5° |
| N01 | C04 | C11 | 119.6° | 119.8° |
| N01 | C04 | C06 | 122.7° | 119.8° |
| C06 | O01 | C09 | 127.4° | 115.8° |
| O01 | C06 | C04 | 119.3° | 120.0° |
| O01 | C06 | C05 | 118.9° | 119.9° |
| O01 | C09 | C03 | 114.0° | 108.6° |
| O01 | C09 | H09A | 108.0° | 109.6° |
| O01 | C09 | H09 | 108.0° | 109.6° |
| C08 | C02 | H02A | 109.9° | 109.5° |
| C08 | C02 | H02 | 109.9° | 109.5° |
| C02 | C08 | H08 | 109.0° | 109.5° |
| C02 | C08 | H08A | 108.9° | 109.4° |
| H02A | C02 | H02 | 109.1° | 109.5° |
| C05 | N02 | C03 | 119.9° | 119.5° |
| C05 | N02 | C12 | 121.0° | 122.1° |
| N02 | C05 | C06 | 120.6° | 120.5° |
| N02 | C05 | C10 | 120.3° | 120.5° |
| C03 | N02 | C12 | 118.4° | 118.5° |
| N02 | C03 | C09 | 111.5° | 109.3° |
| N02 | C03 | C14 | 108.2° | 109.5° |
| N02 | C03 | H03 | 109.8° | 109.5° |
| N02 | C12 | C17 | 121.5° | 122.6° |
| N02 | C12 | H12 | 119.2° | 118.7° |
| O02 | C15 | C10 | 119.1° | 121.5° |
| O02 | C15 | C17 | 119.3° | 121.4° |
| C09 | C03 | C14 | 111.8° | 109.5° |
| C09 | C03 | H03 | 106.1° | 109.5° |
| C03 | C09 | H09A | 108.0° | 109.6° |
| C03 | C09 | H09 | 108.0° | 109.6° |
| C14 | C03 | H03 | 109.5° | 109.5° |
| C03 | C14 | H14 | 109.5° | 109.4° |
| C03 | C14 | H14A | 109.5° | 109.5° |
| C03 | C14 | H14B | 109.5° | 109.5° |
| C11 | C04 | C06 | 117.4° | 120.4° |
| C04 | C11 | C13 | 121.7° | 120.1° |
| C04 | C06 | C05 | 121.7° | 120.2° |
| C06 | C05 | C10 | 119.1° | 119.0° |
| C05 | C10 | C13 | 119.2° | 120.5° |
| C05 | C10 | C15 | 118.1° | 118.8° |
| H07A | C07 | H07 | 109.9° | 109.5° |
| H08 | C08 | H08A | 110.0° | 109.5° |
| H09A | C09 | H09 | 110.9° | 109.7° |
| C13 | C10 | C15 | 122.7° | 120.8° |
| C10 | C13 | C11 | 120.7° | 119.9° |
| C10 | C13 | H13 | 119.7° | 120.1° |
| C10 | C15 | C17 | 121.5° | 117.1° |
| C11 | C13 | H13 | 119.7° | 120.0° |
| C17 | C12 | H12 | 119.3° | 118.6° |
| C12 | C17 | C15 | 117.5° | 118.9° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16 | 109.5° | 109.5° |
| H16B | C16 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C | O03 | O | 150.9° | 179.7° |
| C | C17 | C12 | N02 | 176.1° | 179.9° |
| C | C17 | C15 | O02 | 0.9° | 0.5° |
| C17 | C | O03 | HO03 | 150.9° | 179.7° |
| C | C17 | C15 | C10 | 176.4° | 179.5° |
| C | C17 | C12 | C15 | 176.1° | 180.0° |
| C | C17 | C12 | H12 | 3.9° | 0.1° |
| O03 | C | C17 | C12 | 139.2° | 180.0° |
| O03 | C | C17 | C15 | 36.7° | 0.0° |
| O | C | O03 | HO03 | 0.0° | 0.0° |
| O | C | C17 | C12 | 9.9° | 0.3° |
| O | C | C17 | C15 | 174.2° | 179.7° |
| F | C11 | C04 | N01 | 7.1° | 0.2° |
| F | C11 | C04 | C13 | 179.5° | 180.0° |
| F | C11 | C04 | C06 | 179.4° | 179.8° |
| F | C11 | C13 | C10 | 176.1° | 179.8° |
| F | C11 | C13 | H13 | 3.9° | 0.2° |
| C16 | N | C08 | C07 | 141.3° | 123.9° |
| C16 | N | C07 | C01 | 164.1° | 64.6° |
| C16 | N | C08 | C02 | 153.8° | 64.5° |
| C16 | N | C07 | H07A | 44.1° | 175.5° |
| C16 | N | C07 | H07 | 75.9° | 55.4° |
| C16 | N | C08 | H08 | 33.8° | 175.4° |
| C16 | N | C08 | H08A | 86.2° | 55.4° |
| N | C16 | H16A | H16B | 120.0° | 120.0° |
| N | C16 | H16A | H16 | 120.0° | 120.0° |
| N | C16 | H16B | H16 | 120.0° | 120.0° |
| C08 | N | C07 | C01 | 21.4° | 59.3° |
| N | C08 | C02 | N01 | 43.8° | 58.5° |
| N | C08 | C02 | H08 | 120.0° | 120.0° |
| N | C08 | C02 | H08A | 120.0° | 119.9° |
| N | C08 | C02 | H02A | 163.8° | 178.4° |
| N | C08 | C02 | H02 | 76.2° | 61.5° |
| C08 | N | C07 | H07A | 98.6° | 60.6° |
| C08 | N | C07 | H07 | 141.4° | 179.3° |
| N | C08 | H08 | H08A | 119.4° | 120.1° |
| C08 | N | C16 | H16A | 180.0° | 56.2° |
| C08 | N | C16 | H16B | 60.0° | 176.2° |
| C08 | N | C16 | H16 | 60.0° | 63.8° |
| N | C07 | C01 | H01 | 83.3° | 178.4° |
| N | C07 | C01 | H07A | 120.0° | 120.0° |
| N | C07 | C01 | H07 | 120.0° | 120.0° |
| N | C07 | C01 | H01A | 156.7° | 61.6° |
| N | C07 | C01 | N01 | 36.7° | 58.4° |
| C07 | N | C08 | C02 | 64.9° | 59.4° |
| N | C07 | H07A | H07 | 119.5° | 120.1° |
| C07 | N | C08 | H08 | 175.0° | 60.6° |
| C07 | N | C08 | H08A | 55.0° | 179.3° |
| C07 | N | C16 | H16A | 39.8° | 179.9° |
| C07 | N | C16 | H16B | 80.2° | 59.9° |
| C07 | N | C16 | H16 | 159.8° | 60.0° |
| H01 | C01 | C07 | H01A | 120.0° | 120.0° |
| H01 | C01 | C07 | N01 | 120.0° | 120.0° |
| H01 | C01 | H01A | N01 | 119.1° | 120.0° |
| H01 | C01 | N01 | C02 | 61.7° | 179.3° |
| H01 | C01 | N01 | C04 | 111.3° | 56.8° |
| H01 | C01 | C07 | H07A | 36.7° | 58.4° |
| H01 | C01 | C07 | H07 | 156.7° | 61.6° |
| C07 | C01 | H01A | N01 | 121.9° | 119.9° |
| C07 | C01 | N01 | C02 | 58.2° | 59.3° |
| C07 | C01 | N01 | C04 | 128.7° | 176.8° |
| C01 | C07 | H07A | H07 | 119.5° | 120.1° |
| H01A | C01 | N01 | C02 | 178.2° | 60.7° |
| H01A | C01 | N01 | C04 | 8.8° | 63.2° |
| H01A | C01 | C07 | H07A | 83.4° | 178.4° |
| H01A | C01 | C07 | H07 | 36.7° | 58.4° |
| C01 | N01 | C02 | C04 | 172.3° | 123.9° |
| C01 | N01 | C02 | C08 | 15.6° | 59.3° |
| C01 | N01 | C02 | H02A | 104.4° | 179.3° |
| C01 | N01 | C02 | H02 | 135.6° | 60.7° |
| C01 | N01 | C04 | C11 | 52.6° | 60.0° |
| C01 | N01 | C04 | C06 | 120.6° | 120.0° |
| N01 | C01 | C07 | H07A | 156.7° | 61.6° |
| N01 | C01 | C07 | H07 | 83.3° | 178.3° |
| N01 | C02 | C08 | H02A | 120.0° | 119.9° |
| N01 | C02 | C08 | H02 | 120.0° | 120.0° |
| N01 | C02 | H02A | H02 | 120.5° | 120.1° |
| C02 | N01 | C04 | C11 | 119.7° | 63.8° |
| C02 | N01 | C04 | C06 | 67.1° | 116.2° |
| N01 | C02 | C08 | H08 | 163.8° | 61.6° |
| N01 | C02 | C08 | H08A | 76.2° | 178.4° |
| N01 | C04 | C06 | O01 | 7.7° | 0.3° |
| C04 | N01 | C02 | C08 | 172.1° | 176.8° |
| C04 | N01 | C02 | H02A | 67.9° | 56.8° |
| C04 | N01 | C02 | H02 | 52.1° | 63.2° |
| N01 | C04 | C11 | C06 | 173.5° | 180.0° |
| N01 | C04 | C06 | C05 | 175.3° | 179.6° |
| N01 | C04 | C11 | C13 | 172.5° | 179.8° |
| O01 | C06 | C05 | N02 | 1.3° | 0.6° |
| C06 | O01 | C09 | C03 | 25.9° | 55.4° |
| O01 | C06 | C04 | C11 | 179.0° | 179.6° |
| O01 | C06 | C04 | C05 | 177.0° | 180.0° |
| O01 | C06 | C05 | C10 | 178.8° | 179.1° |
| C06 | O01 | C09 | H09A | 145.9° | 64.3° |
| C06 | O01 | C09 | H09 | 94.1° | 175.2° |
| O01 | C09 | C03 | N02 | 31.7° | 54.2° |
| O01 | C09 | C03 | H09A | 120.0° | 119.7° |
| O01 | C09 | C03 | H09 | 120.0° | 119.8° |
| O01 | C09 | C03 | C14 | 89.5° | 65.8° |
| O01 | C09 | C03 | H03 | 151.2° | 174.2° |
| C09 | O01 | C06 | C04 | 168.1° | 151.8° |
| C09 | O01 | C06 | C05 | 8.9° | 28.2° |
| O01 | C09 | H09A | H09 | 118.1° | 120.4° |
| C08 | C02 | H02A | H02 | 120.5° | 120.1° |
| C02 | C08 | H08 | H08A | 119.3° | 120.0° |
| H02A | C02 | C08 | H08 | 76.2° | 58.3° |
| H02A | C02 | C08 | H08A | 43.8° | 61.7° |
| H02 | C02 | C08 | H08 | 43.8° | 178.4° |
| H02 | C02 | C08 | H08A | 163.8° | 58.4° |
| C05 | N02 | C03 | C12 | 170.9° | 179.7° |
| C05 | N02 | C03 | C09 | 24.5° | 29.3° |
| C05 | N02 | C03 | C14 | 98.8° | 90.6° |
| C05 | N02 | C03 | H03 | 141.7° | 149.3° |
| N02 | C05 | C06 | C04 | 178.3° | 179.4° |
| N02 | C05 | C06 | C10 | 179.9° | 179.7° |
| N02 | C05 | C10 | C13 | 178.4° | 179.4° |
| N02 | C05 | C10 | C15 | 0.5° | 0.7° |
| C05 | N02 | C12 | C17 | 0.1° | 1.0° |
| C05 | N02 | C12 | H12 | 179.9° | 179.0° |
| N02 | C03 | C09 | C14 | 121.3° | 119.9° |
| N02 | C03 | C09 | H03 | 119.5° | 120.0° |
| N02 | C03 | C14 | H03 | 119.6° | 120.2° |
| C03 | N02 | C05 | C06 | 9.0° | 1.8° |
| C03 | N02 | C05 | C10 | 170.8° | 178.4° |
| N02 | C03 | C09 | H09A | 151.7° | 65.6° |
| N02 | C03 | C09 | H09 | 88.3° | 173.9° |
| C03 | N02 | C12 | C17 | 170.7° | 178.8° |
| C03 | N02 | C12 | H12 | 9.3° | 1.2° |
| N02 | C03 | C14 | H14 | 180.0° | 60.0° |
| N02 | C03 | C14 | H14A | 60.0° | 60.0° |
| N02 | C03 | C14 | H14B | 60.0° | 180.0° |
| C12 | N02 | C03 | C09 | 164.6° | 150.9° |
| C12 | N02 | C03 | C14 | 72.1° | 89.2° |
| C12 | N02 | C03 | H03 | 47.4° | 31.0° |
| C12 | N02 | C05 | C06 | 179.7° | 178.4° |
| C12 | N02 | C05 | C10 | 0.2° | 1.3° |
| N02 | C12 | C17 | H12 | 180.0° | 180.0° |
| N02 | C12 | C17 | C15 | 0.0° | 0.1° |
| O02 | C15 | C10 | C05 | 176.7° | 179.8° |
| O02 | C15 | C10 | C13 | 1.1° | 0.3° |
| O02 | C15 | C10 | C17 | 177.3° | 180.0° |
| O02 | C15 | C17 | C12 | 177.0° | 179.5° |
| C09 | C03 | C14 | H03 | 117.2° | 120.0° |
| C03 | C09 | H09A | H09 | 118.2° | 120.4° |
| C09 | C03 | C14 | H14 | 56.9° | 179.8° |
| C09 | C03 | C14 | H14A | 176.9° | 59.8° |
| C09 | C03 | C14 | H14B | 63.2° | 60.2° |
| C14 | C03 | C09 | H09A | 30.5° | 174.5° |
| C14 | C03 | C09 | H09 | 150.5° | 54.0° |
| C03 | C14 | H14 | H14A | 120.0° | 120.0° |
| C03 | C14 | H14 | H14B | 120.0° | 120.0° |
| C03 | C14 | H14A | H14B | 120.0° | 120.0° |
| H03 | C03 | C09 | H09A | 88.8° | 54.4° |
| H03 | C03 | C09 | H09 | 31.2° | 66.1° |
| H03 | C03 | C14 | H14 | 60.4° | 60.1° |
| H03 | C03 | C14 | H14A | 59.6° | 179.9° |
| H03 | C03 | C14 | H14B | 179.6° | 59.9° |
| C11 | C04 | C06 | C05 | 2.0° | 0.4° |
| C04 | C11 | C13 | C10 | 4.4° | 0.1° |
| C04 | C11 | C13 | H13 | 175.6° | 179.9° |
| C04 | C06 | C05 | C10 | 1.8° | 0.9° |
| C06 | C04 | C11 | C13 | 1.1° | 0.1° |
| C06 | C05 | C10 | C13 | 1.5° | 0.9° |
| C06 | C05 | C10 | C15 | 179.4° | 179.0° |
| C05 | C10 | C13 | C15 | 177.8° | 179.9° |
| C05 | C10 | C13 | C11 | 4.5° | 0.4° |
| C05 | C10 | C13 | H13 | 175.5° | 179.6° |
| C05 | C10 | C15 | C17 | 0.6° | 0.1° |
| C10 | C13 | C11 | H13 | 180.0° | 180.0° |
| C13 | C10 | C15 | C17 | 178.4° | 179.8° |
| C15 | C10 | C13 | C11 | 177.7° | 179.5° |
| C10 | C15 | C17 | C12 | 0.3° | 0.5° |
| C15 | C10 | C13 | H13 | 2.3° | 0.5° |
| H12 | C12 | C17 | C15 | 180.0° | 179.9° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H16A | C16 | H16B | H16 | 120.0° | 120.0° |
