G1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C20 | sing | 1.37Å | 1.33Å | |
| C20 | F21 | sing | 1.37Å | 1.33Å | |
| C20 | C3 | sing | 1.49Å | 1.49Å | |
| C20 | F22 | sing | 1.37Å | 1.33Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | N11 | sing | 1.42Å | 1.37Å | |
| N11 | C12 | sing | 1.39Å | 1.35Å | |
| N11 | HN11 | sing | 1.02Å | 1.00Å | |
| C12 | C13 | sing | 1.55Å | 1.51Å | |
| C12 | O18 | doub | 1.23Å | 1.22Å | |
| C13 | C15 | sing | 1.54Å | 1.52Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C13 | C16 | sing | 1.55Å | 1.52Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.10Å | 1.10Å | |
| C16 | CL17 | sing | 1.78Å | 1.77Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C20 | F21 | 107.1° | 105.2° |
| F23 | C20 | C3 | 112.5° | 113.7° |
| F23 | C20 | F22 | 113.9° | 105.6° |
| F21 | C20 | C3 | 108.1° | 113.5° |
| F21 | C20 | F22 | 110.7° | 105.5° |
| C3 | C20 | F22 | 104.4° | 112.6° |
| C20 | C3 | C4 | 126.4° | 120.0° |
| C20 | C3 | C2 | 114.2° | 120.0° |
| C4 | C3 | C2 | 119.4° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.5° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| C3 | C2 | H2 | 119.8° | 120.5° |
| C1 | C2 | H2 | 119.7° | 119.5° |
| C2 | C1 | C6 | 122.0° | 119.2° |
| C2 | C1 | H1 | 119.0° | 119.4° |
| C6 | C1 | H1 | 119.0° | 121.4° |
| C1 | C6 | C5 | 117.8° | 121.5° |
| C1 | C6 | N11 | 120.6° | 119.2° |
| C5 | C4 | H4 | 120.2° | 119.5° |
| C4 | C5 | C6 | 120.5° | 119.2° |
| C4 | C5 | H5 | 119.7° | 119.4° |
| C6 | C5 | H5 | 119.7° | 121.4° |
| C5 | C6 | N11 | 121.6° | 119.2° |
| C6 | N11 | C12 | 126.1° | 127.7° |
| C6 | N11 | HN11 | 117.0° | 116.2° |
| C12 | N11 | HN11 | 116.9° | 116.1° |
| N11 | C12 | C13 | 118.0° | 113.2° |
| N11 | C12 | O18 | 124.8° | 125.9° |
| C13 | C12 | O18 | 117.1° | 120.8° |
| C12 | C13 | C15 | 111.7° | 109.5° |
| C12 | C13 | C14 | 112.0° | 109.1° |
| C12 | C13 | C16 | 107.3° | 111.7° |
| C15 | C13 | C14 | 107.6° | 107.5° |
| C15 | C13 | C16 | 107.2° | 110.1° |
| C13 | C15 | H151 | 109.5° | 111.0° |
| C13 | C15 | H152 | 109.5° | 112.1° |
| C13 | C15 | H153 | 109.5° | 111.2° |
| C14 | C13 | C16 | 111.0° | 108.9° |
| C13 | C14 | H141 | 109.5° | 111.0° |
| C13 | C14 | H142 | 109.5° | 111.1° |
| C13 | C14 | H143 | 109.4° | 112.1° |
| C13 | C16 | CL17 | 120.1° | 113.2° |
| C13 | C16 | H161 | 106.1° | 112.0° |
| C13 | C16 | H162 | 103.6° | 110.7° |
| H141 | C14 | H142 | 109.4° | 107.9° |
| H141 | C14 | H143 | 109.5° | 107.2° |
| H142 | C14 | H143 | 109.5° | 107.2° |
| H151 | C15 | H152 | 109.5° | 106.9° |
| H151 | C15 | H153 | 109.4° | 107.6° |
| H152 | C15 | H153 | 109.5° | 107.8° |
| CL17 | C16 | H161 | 106.1° | 106.6° |
| CL17 | C16 | H162 | 103.6° | 106.9° |
| H161 | C16 | H162 | 118.3° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C20 | F21 | C3 | 121.5° | 124.8° |
| F23 | C20 | F21 | F22 | 124.7° | 111.3° |
| F23 | C20 | C3 | F22 | 124.0° | 120.0° |
| F23 | C20 | C3 | C4 | 1.7° | 179.9° |
| F23 | C20 | C3 | C2 | 179.0° | 0.0° |
| F21 | C20 | C3 | F22 | 117.9° | 119.9° |
| F21 | C20 | C3 | C4 | 119.8° | 59.9° |
| F21 | C20 | C3 | C2 | 60.8° | 120.2° |
| C20 | C3 | C4 | C2 | 179.3° | 179.9° |
| C20 | C3 | C2 | C1 | 179.6° | 179.9° |
| C20 | C3 | C2 | H2 | 0.4° | 0.1° |
| C20 | C3 | C4 | C5 | 179.9° | 179.9° |
| C20 | C3 | C4 | H4 | 0.0° | 0.0° |
| F22 | C20 | C3 | C4 | 122.3° | 60.0° |
| F22 | C20 | C3 | C2 | 57.0° | 120.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C3 | C4 | C5 | H5 | 179.1° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H4 | 179.2° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | N11 | 177.7° | 180.0° |
| H2 | C2 | C1 | C6 | 179.6° | 180.0° |
| H2 | C2 | C1 | H1 | 0.4° | 0.1° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | N11 | 177.9° | 179.9° |
| C1 | C6 | C5 | H5 | 179.7° | 179.9° |
| C1 | C6 | N11 | C12 | 0.7° | 0.1° |
| C1 | C6 | N11 | HN11 | 179.3° | 180.0° |
| H1 | C1 | C6 | C5 | 179.7° | 180.0° |
| H1 | C1 | C6 | N11 | 2.3° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N11 | 178.3° | 180.0° |
| H4 | C4 | C5 | C6 | 179.2° | 180.0° |
| H4 | C4 | C5 | H5 | 0.8° | 0.1° |
| C5 | C6 | N11 | C12 | 178.6° | 179.9° |
| C5 | C6 | N11 | HN11 | 1.4° | 0.1° |
| H5 | C5 | C6 | N11 | 1.7° | 0.1° |
| C6 | N11 | C12 | HN11 | 180.0° | 179.9° |
| C6 | N11 | C12 | C13 | 177.9° | 179.9° |
| C6 | N11 | C12 | O18 | 1.2° | 0.1° |
| N11 | C12 | C13 | O18 | 179.2° | 179.9° |
| N11 | C12 | C13 | C15 | 126.6° | 177.2° |
| N11 | C12 | C13 | C14 | 5.9° | 59.9° |
| N11 | C12 | C13 | C16 | 116.2° | 60.5° |
| HN11 | N11 | C12 | C13 | 2.1° | 0.0° |
| HN11 | N11 | C12 | O18 | 178.8° | 179.9° |
| C12 | C13 | C15 | C14 | 123.3° | 118.3° |
| C12 | C13 | C15 | C16 | 117.3° | 123.2° |
| C12 | C13 | C14 | C16 | 119.9° | 122.1° |
| C12 | C13 | C14 | H141 | 84.0° | 53.2° |
| C12 | C13 | C14 | H142 | 36.0° | 173.3° |
| C12 | C13 | C14 | H143 | 156.0° | 66.7° |
| C12 | C13 | C15 | H151 | 104.7° | 62.0° |
| C12 | C13 | C15 | H152 | 15.3° | 57.4° |
| C12 | C13 | C15 | H153 | 135.3° | 178.1° |
| C12 | C13 | C16 | CL17 | 38.3° | 60.5° |
| C12 | C13 | C16 | H161 | 81.7° | 60.0° |
| C12 | C13 | C16 | H162 | 153.1° | 179.6° |
| O18 | C12 | C13 | C15 | 54.2° | 2.6° |
| O18 | C12 | C13 | C14 | 174.9° | 120.0° |
| O18 | C12 | C13 | C16 | 63.0° | 119.6° |
| C15 | C13 | C14 | C16 | 117.0° | 119.3° |
| C15 | C13 | C14 | H141 | 152.9° | 65.4° |
| C15 | C13 | C14 | H142 | 87.1° | 54.7° |
| C15 | C13 | C14 | H143 | 32.9° | 174.6° |
| C13 | C15 | H151 | H152 | 120.0° | 122.5° |
| C13 | C15 | H151 | H153 | 120.0° | 121.9° |
| C13 | C15 | H152 | H153 | 120.0° | 122.7° |
| C15 | C13 | C16 | CL17 | 81.8° | 61.4° |
| C15 | C13 | C16 | H161 | 158.2° | 178.1° |
| C15 | C13 | C16 | H162 | 33.0° | 58.5° |
| C13 | C14 | H141 | H142 | 120.0° | 122.0° |
| C13 | C14 | H141 | H143 | 120.0° | 122.8° |
| C13 | C14 | H142 | H143 | 120.0° | 122.8° |
| C14 | C13 | C15 | H151 | 18.5° | 56.3° |
| C14 | C13 | C15 | H152 | 138.6° | 175.7° |
| C14 | C13 | C15 | H153 | 101.4° | 63.5° |
| C14 | C13 | C16 | CL17 | 160.9° | 179.0° |
| C14 | C13 | C16 | H161 | 40.9° | 60.5° |
| C14 | C13 | C16 | H162 | 84.3° | 59.1° |
| C16 | C13 | C14 | H141 | 35.9° | 175.3° |
| C16 | C13 | C14 | H142 | 155.9° | 64.6° |
| C16 | C13 | C14 | H143 | 84.1° | 55.4° |
| C16 | C13 | C15 | H151 | 138.0° | 174.8° |
| C16 | C13 | C15 | H152 | 102.0° | 65.8° |
| C16 | C13 | C15 | H153 | 18.0° | 54.9° |
| C13 | C16 | CL17 | H161 | 120.0° | 123.6° |
| C13 | C16 | CL17 | H162 | 114.8° | 122.1° |
| C13 | C16 | H161 | H162 | 115.6° | 121.6° |
| H141 | C14 | H142 | H143 | 120.0° | 115.2° |
| H151 | C15 | H152 | H153 | 120.0° | 115.5° |
| CL17 | C16 | H161 | H162 | 115.6° | 114.1° |
