L54
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C22 | sing | 1.40Å | 1.35Å | |
| F25 | C22 | sing | 1.40Å | 1.34Å | |
| C22 | F24 | sing | 1.40Å | 1.34Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C11 | N9 | sing | 1.47Å | 1.48Å | |
| O10 | N9 | sing | 1.41Å | 1.39Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| N9 | C4 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | C2 | sing | 1.53Å | 1.55Å | |
| O8 | P5 | doub | 1.48Å | 1.49Å | |
| C4 | O12 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| P5 | C1 | sing | 1.82Å | 1.81Å | |
| P5 | O6 | sing | 1.61Å | 1.49Å | |
| P5 | O7 | sing | 1.61Å | 1.50Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C22 | F25 | 109.6° | 109.5° |
| F23 | C22 | F24 | 109.4° | 109.5° |
| F23 | C22 | C21 | 109.9° | 109.5° |
| F25 | C22 | F24 | 109.2° | 109.4° |
| F25 | C22 | C21 | 109.4° | 109.5° |
| F24 | C22 | C21 | 109.4° | 109.5° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | C19 | 119.9° | 120.0° |
| C21 | C20 | C18 | 119.9° | 120.0° |
| C20 | C21 | C19 | 119.9° | 120.0° |
| C21 | C20 | H21 | 120.1° | 120.0° |
| C20 | C18 | C16 | 120.0° | 120.0° |
| C20 | C18 | H20 | 120.0° | 120.0° |
| C18 | C20 | H21 | 120.0° | 120.0° |
| C21 | C19 | C17 | 120.0° | 120.0° |
| C21 | C19 | H19 | 120.0° | 120.0° |
| C18 | C16 | C17 | 120.1° | 120.0° |
| C18 | C16 | C15 | 120.0° | 120.0° |
| C16 | C18 | H20 | 120.0° | 120.0° |
| C19 | C17 | C16 | 120.0° | 120.0° |
| C19 | C17 | H18 | 120.0° | 120.0° |
| C17 | C19 | H19 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C16 | C17 | H18 | 120.0° | 120.0° |
| C16 | C15 | C14 | 110.0° | 109.5° |
| C16 | C15 | H16 | 109.3° | 109.5° |
| C16 | C15 | H17 | 109.3° | 109.5° |
| C11 | N9 | O10 | 119.0° | 120.0° |
| C11 | N9 | C4 | 121.9° | 120.0° |
| N9 | C11 | H2 | 109.5° | 109.5° |
| N9 | C11 | H3 | 109.5° | 109.4° |
| N9 | C11 | H4 | 109.5° | 109.5° |
| O10 | N9 | C4 | 119.1° | 120.0° |
| N9 | O10 | H1 | 109.5° | 114.0° |
| C15 | C14 | C13 | 111.0° | 109.5° |
| C15 | C14 | H14 | 109.1° | 109.4° |
| C15 | C14 | H15 | 109.1° | 109.4° |
| C14 | C15 | H16 | 109.3° | 109.5° |
| C14 | C15 | H17 | 109.3° | 109.4° |
| N9 | C4 | O12 | 120.6° | 120.0° |
| N9 | C4 | C3 | 121.1° | 120.0° |
| C14 | C13 | C2 | 112.3° | 109.5° |
| C14 | C13 | H12 | 108.8° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.5° |
| C13 | C14 | H15 | 109.1° | 109.5° |
| C13 | C2 | C3 | 111.6° | 109.5° |
| C13 | C2 | C1 | 111.3° | 109.5° |
| C13 | C2 | H7 | 107.4° | 109.5° |
| C2 | C13 | H12 | 108.8° | 109.4° |
| C2 | C13 | H13 | 108.7° | 109.5° |
| O8 | P5 | C1 | 110.1° | 109.5° |
| O8 | P5 | O6 | 109.4° | 109.5° |
| O8 | P5 | O7 | 109.8° | 109.5° |
| O12 | C4 | C3 | 118.3° | 120.0° |
| C4 | C3 | C2 | 108.9° | 109.4° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C4 | C3 | H6 | 109.6° | 109.5° |
| C3 | C2 | C1 | 111.1° | 109.5° |
| C2 | C3 | H5 | 109.6° | 109.4° |
| C2 | C3 | H6 | 109.6° | 109.5° |
| C3 | C2 | H7 | 107.5° | 109.4° |
| C2 | C1 | P5 | 109.6° | 109.5° |
| C1 | C2 | H7 | 107.7° | 109.5° |
| C2 | C1 | H8 | 109.4° | 109.5° |
| C2 | C1 | H9 | 109.4° | 109.5° |
| C1 | P5 | O6 | 108.7° | 109.5° |
| C1 | P5 | O7 | 108.9° | 109.5° |
| P5 | C1 | H8 | 109.5° | 109.5° |
| P5 | C1 | H9 | 109.5° | 109.5° |
| O6 | P5 | O7 | 110.0° | 109.5° |
| P5 | O6 | H11 | 109.5° | 114.0° |
| P5 | O7 | H10 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C22 | F25 | F24 | 119.8° | 120.0° |
| F23 | C22 | F25 | C21 | 120.5° | 120.0° |
| F23 | C22 | F24 | C21 | 120.4° | 120.1° |
| F23 | C22 | C21 | C20 | 26.4° | 30.0° |
| F23 | C22 | C21 | C19 | 154.3° | 149.0° |
| F25 | C22 | F24 | C21 | 119.6° | 120.0° |
| F25 | C22 | C21 | C20 | 146.7° | 150.0° |
| F25 | C22 | C21 | C19 | 33.9° | 29.0° |
| F24 | C22 | C21 | C20 | 93.7° | 90.1° |
| F24 | C22 | C21 | C19 | 85.6° | 90.9° |
| C22 | C21 | C20 | C19 | 179.3° | 179.0° |
| C22 | C21 | C20 | C18 | 180.0° | 180.0° |
| C22 | C21 | C19 | C17 | 179.7° | 179.7° |
| C22 | C21 | C19 | H19 | 0.3° | 0.3° |
| C22 | C21 | C20 | H21 | 0.0° | 1.0° |
| C21 | C20 | C18 | H21 | 180.0° | 179.0° |
| C21 | C20 | C18 | C16 | 0.4° | 0.7° |
| C20 | C21 | C19 | C17 | 0.4° | 0.7° |
| C20 | C21 | C19 | H19 | 179.6° | 179.4° |
| C21 | C20 | C18 | H20 | 179.7° | 179.3° |
| C18 | C20 | C21 | C19 | 0.7° | 1.0° |
| C20 | C18 | C16 | H20 | 180.0° | 180.0° |
| C20 | C18 | C16 | C17 | 0.3° | 0.1° |
| C20 | C18 | C16 | C15 | 178.6° | 179.7° |
| C21 | C19 | C17 | H19 | 180.0° | 180.0° |
| C21 | C19 | C17 | C16 | 0.3° | 0.0° |
| C21 | C19 | C17 | H18 | 179.7° | 180.0° |
| C19 | C21 | C20 | H21 | 179.3° | 180.0° |
| C18 | C16 | C17 | C19 | 0.6° | 0.3° |
| C18 | C16 | C17 | C15 | 178.3° | 179.8° |
| C18 | C16 | C15 | C14 | 100.5° | 90.3° |
| C18 | C16 | C15 | H16 | 19.6° | 149.7° |
| C18 | C16 | C15 | H17 | 139.4° | 29.7° |
| C18 | C16 | C17 | H18 | 179.4° | 179.8° |
| C16 | C18 | C20 | H21 | 179.6° | 179.7° |
| C19 | C17 | C16 | H18 | 180.0° | 180.0° |
| C19 | C17 | C16 | C15 | 178.9° | 180.0° |
| C17 | C16 | C15 | C14 | 77.8° | 90.0° |
| C17 | C16 | C15 | H16 | 162.1° | 30.0° |
| C17 | C16 | C15 | H17 | 42.3° | 150.0° |
| C16 | C17 | C19 | H19 | 179.7° | 180.0° |
| C17 | C16 | C18 | H20 | 179.7° | 179.9° |
| C16 | C15 | C14 | H16 | 120.1° | 120.0° |
| C16 | C15 | C14 | H17 | 120.1° | 120.0° |
| C16 | C15 | C14 | C13 | 57.7° | 180.0° |
| C16 | C15 | C14 | H14 | 177.9° | 60.0° |
| C16 | C15 | C14 | H15 | 62.5° | 60.0° |
| C16 | C15 | H16 | H17 | 119.8° | 120.0° |
| C15 | C16 | C17 | H18 | 1.1° | 0.0° |
| C15 | C16 | C18 | H20 | 1.4° | 0.3° |
| C11 | N9 | O10 | C4 | 179.9° | 180.0° |
| C11 | N9 | C4 | O12 | 178.7° | 0.0° |
| C11 | N9 | C4 | C3 | 2.6° | 179.7° |
| C11 | N9 | O10 | H1 | 179.5° | 0.0° |
| N9 | C11 | H2 | H3 | 120.0° | 119.9° |
| N9 | C11 | H2 | H4 | 120.0° | 120.0° |
| N9 | C11 | H3 | H4 | 120.0° | 120.0° |
| O10 | N9 | C4 | O12 | 1.3° | 180.0° |
| O10 | N9 | C4 | C3 | 177.5° | 0.3° |
| O10 | N9 | C11 | H2 | 180.0° | 90.0° |
| O10 | N9 | C11 | H3 | 60.0° | 30.0° |
| O10 | N9 | C11 | H4 | 60.0° | 150.0° |
| C15 | C14 | C13 | H14 | 120.2° | 120.0° |
| C15 | C14 | C13 | H15 | 120.2° | 120.0° |
| C15 | C14 | C13 | C2 | 171.4° | 180.0° |
| C15 | C14 | C13 | H12 | 51.0° | 60.0° |
| C15 | C14 | C13 | H13 | 68.2° | 60.0° |
| C15 | C14 | H14 | H15 | 119.3° | 120.0° |
| C14 | C15 | H16 | H17 | 119.7° | 120.0° |
| N9 | C4 | O12 | C3 | 176.3° | 179.7° |
| N9 | C4 | C3 | C2 | 98.4° | 175.7° |
| C4 | N9 | O10 | H1 | 0.6° | 180.0° |
| C4 | N9 | C11 | H2 | 0.1° | 90.0° |
| C4 | N9 | C11 | H3 | 120.1° | 150.0° |
| C4 | N9 | C11 | H4 | 119.9° | 30.0° |
| N9 | C4 | C3 | H5 | 21.5° | 64.3° |
| N9 | C4 | C3 | H6 | 141.7° | 55.7° |
| C14 | C13 | C2 | H12 | 120.4° | 120.0° |
| C14 | C13 | C2 | H13 | 120.4° | 120.1° |
| C14 | C13 | C2 | C3 | 67.5° | 175.0° |
| C14 | C13 | C2 | C1 | 57.3° | 65.0° |
| C14 | C13 | C2 | H7 | 175.0° | 55.0° |
| C14 | C13 | H12 | H13 | 118.7° | 120.0° |
| C13 | C14 | H14 | H15 | 119.3° | 120.0° |
| C13 | C14 | C15 | H16 | 62.4° | 60.0° |
| C13 | C14 | C15 | H17 | 177.8° | 60.0° |
| C13 | C2 | C3 | C4 | 101.3° | 66.7° |
| C13 | C2 | C3 | C1 | 124.9° | 120.0° |
| C13 | C2 | C3 | H7 | 117.5° | 120.0° |
| C13 | C2 | C1 | H7 | 117.5° | 120.0° |
| C13 | C2 | C1 | P5 | 93.9° | 164.3° |
| C13 | C2 | C3 | H5 | 18.6° | 53.3° |
| C13 | C2 | C3 | H6 | 138.8° | 173.3° |
| C13 | C2 | C1 | H8 | 26.1° | 44.3° |
| C13 | C2 | C1 | H9 | 146.1° | 75.7° |
| C2 | C13 | H12 | H13 | 118.7° | 120.0° |
| C2 | C13 | C14 | H14 | 68.4° | 60.1° |
| C2 | C13 | C14 | H15 | 51.2° | 60.0° |
| O8 | P5 | C1 | C2 | 25.3° | 56.5° |
| O8 | P5 | C1 | O6 | 119.8° | 120.1° |
| O8 | P5 | C1 | O7 | 120.4° | 120.0° |
| O8 | P5 | O6 | O7 | 120.7° | 120.0° |
| O8 | P5 | C1 | H8 | 94.7° | 63.6° |
| O8 | P5 | C1 | H9 | 145.3° | 176.5° |
| O8 | P5 | O7 | H10 | 0.0° | 60.1° |
| O8 | P5 | O6 | H11 | 0.0° | 180.0° |
| O12 | C4 | C3 | C2 | 77.9° | 4.0° |
| O12 | C4 | C3 | H5 | 162.2° | 116.0° |
| O12 | C4 | C3 | H6 | 42.0° | 124.0° |
| C4 | C3 | C2 | H5 | 119.9° | 119.9° |
| C4 | C3 | C2 | H6 | 119.9° | 120.1° |
| C4 | C3 | C2 | C1 | 133.8° | 173.3° |
| C4 | C3 | H5 | H6 | 120.2° | 120.0° |
| C4 | C3 | C2 | H7 | 16.2° | 53.3° |
| C3 | C2 | C1 | H7 | 117.4° | 120.0° |
| C3 | C2 | C1 | P5 | 141.0° | 75.7° |
| C2 | C3 | H5 | H6 | 120.2° | 120.0° |
| C3 | C2 | C1 | H8 | 99.0° | 164.3° |
| C3 | C2 | C1 | H9 | 21.0° | 44.4° |
| C3 | C2 | C13 | H12 | 53.0° | 55.0° |
| C3 | C2 | C13 | H13 | 172.1° | 65.0° |
| C2 | C1 | P5 | H8 | 120.0° | 120.0° |
| C2 | C1 | P5 | H9 | 120.0° | 120.1° |
| C2 | C1 | P5 | O6 | 145.1° | 63.6° |
| C2 | C1 | P5 | O7 | 95.1° | 176.5° |
| C1 | C2 | C3 | H5 | 106.3° | 66.7° |
| C1 | C2 | C3 | H6 | 13.9° | 53.3° |
| C2 | C1 | H8 | H9 | 119.9° | 120.0° |
| C1 | C2 | C13 | H12 | 177.8° | 175.0° |
| C1 | C2 | C13 | H13 | 63.1° | 55.0° |
| C1 | P5 | O6 | O7 | 119.1° | 120.0° |
| P5 | C1 | C2 | H7 | 23.5° | 44.3° |
| P5 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | P5 | O7 | H10 | 120.6° | 180.0° |
| C1 | P5 | O6 | H11 | 120.2° | 60.0° |
| O6 | P5 | C1 | H8 | 25.1° | 176.4° |
| O6 | P5 | C1 | H9 | 94.9° | 56.5° |
| O6 | P5 | O7 | H10 | 120.5° | 60.0° |
| O7 | P5 | C1 | H8 | 144.9° | 56.4° |
| O7 | P5 | C1 | H9 | 24.9° | 63.5° |
| O7 | P5 | O6 | H11 | 120.7° | 60.0° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H5 | C3 | C2 | H7 | 136.2° | 173.3° |
| H6 | C3 | C2 | H7 | 103.7° | 66.7° |
| H7 | C2 | C1 | H8 | 143.6° | 75.7° |
| H7 | C2 | C1 | H9 | 96.5° | 164.3° |
| H7 | C2 | C13 | H12 | 64.6° | 65.0° |
| H7 | C2 | C13 | H13 | 54.6° | 175.0° |
| H12 | C13 | C14 | H14 | 171.2° | 180.0° |
| H12 | C13 | C14 | H15 | 69.3° | 59.9° |
| H13 | C13 | C14 | H14 | 52.0° | 60.0° |
| H13 | C13 | C14 | H15 | 171.6° | 179.9° |
| H14 | C14 | C15 | H16 | 57.8° | 180.0° |
| H14 | C14 | C15 | H17 | 62.0° | 60.0° |
| H15 | C14 | C15 | H16 | 177.4° | 60.0° |
| H15 | C14 | C15 | H17 | 57.6° | 180.0° |
| H18 | C17 | C19 | H19 | 0.3° | 0.0° |
| H20 | C18 | C20 | H21 | 0.3° | 0.3° |
