008
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F7 | C1 | sing | 1.35Å | 1.34Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8C1 | sing | 1.09Å | 1.12Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C9 | N10 | sing | 1.47Å | 1.45Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| N10 | H101 | sing | 1.01Å | 1.02Å | |
| N10 | H102 | sing | 1.01Å | 1.02Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.34Å | |
| N14 | C19 | sing | 1.47Å | 1.46Å | |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C17 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.50Å | 1.51Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C16 | C15 | sing | 1.52Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C15 | C24 | sing | 1.51Å | 1.50Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C24 | N26 | sing | 1.35Å | 1.33Å | |
| N26 | H261 | sing | 0.97Å | 1.02Å | |
| N26 | H262 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F7 | C1 | C2 | 119.1° | 120.0° |
| F7 | C1 | C6 | 120.5° | 120.1° |
| C2 | C1 | C6 | 120.4° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C1 | C6 | C8 | 120.4° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C8 | 120.1° | 120.0° |
| C6 | C8 | C9 | 110.5° | 109.5° |
| C6 | C8 | H8C1 | 111.8° | 109.5° |
| C6 | C8 | H8C2 | 111.8° | 109.5° |
| C9 | C8 | H8C1 | 111.8° | 109.5° |
| C9 | C8 | H8C2 | 111.8° | 109.5° |
| C8 | C9 | N10 | 108.5° | 109.5° |
| C8 | C9 | C11 | 112.0° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.5° |
| H8C1 | C8 | H8C2 | 98.6° | 109.4° |
| N10 | C9 | C11 | 108.8° | 109.5° |
| N10 | C9 | H9 | 109.2° | 109.5° |
| C9 | N10 | H101 | 105.4° | 106.7° |
| C9 | N10 | H102 | 105.3° | 106.7° |
| C11 | C9 | H9 | 109.2° | 109.4° |
| C9 | C11 | C12 | 114.6° | 109.5° |
| C9 | C11 | H111 | 110.4° | 109.5° |
| C9 | C11 | H112 | 110.3° | 109.6° |
| H101 | N10 | H102 | 103.9° | 106.7° |
| C12 | C11 | H111 | 110.3° | 109.4° |
| C12 | C11 | H112 | 110.4° | 109.4° |
| C11 | C12 | O13 | 120.8° | 120.0° |
| C11 | C12 | N14 | 116.7° | 120.0° |
| H111 | C11 | H112 | 99.9° | 109.5° |
| O13 | C12 | N14 | 122.5° | 120.0° |
| C12 | N14 | C19 | 124.7° | 121.4° |
| C12 | N14 | C15 | 119.7° | 121.3° |
| C19 | N14 | C15 | 115.5° | 117.3° |
| N14 | C19 | C18 | 108.6° | 109.7° |
| N14 | C19 | H191 | 112.5° | 109.4° |
| N14 | C19 | H192 | 112.5° | 109.4° |
| N14 | C15 | C16 | 114.2° | 108.2° |
| N14 | C15 | C24 | 111.1° | 109.8° |
| N14 | C15 | H15 | 107.7° | 109.5° |
| C18 | C19 | H191 | 112.5° | 109.4° |
| C18 | C19 | H192 | 112.5° | 109.4° |
| C19 | C18 | C20 | 122.3° | 117.8° |
| C19 | C18 | C17 | 116.9° | 122.3° |
| H191 | C19 | H192 | 97.9° | 109.4° |
| C20 | C18 | C17 | 120.8° | 119.9° |
| C18 | C20 | C21 | 119.1° | 120.5° |
| C18 | C20 | H20 | 120.4° | 119.8° |
| C18 | C17 | C23 | 120.4° | 119.5° |
| C18 | C17 | C16 | 118.0° | 122.9° |
| C21 | C20 | H20 | 120.4° | 119.7° |
| C20 | C21 | C22 | 120.0° | 119.7° |
| C20 | C21 | H21 | 120.0° | 120.1° |
| C22 | C21 | H21 | 120.0° | 120.1° |
| C21 | C22 | C23 | 120.5° | 119.8° |
| C21 | C22 | H22 | 119.8° | 120.1° |
| C23 | C22 | H22 | 119.8° | 120.1° |
| C22 | C23 | C17 | 119.1° | 120.6° |
| C22 | C23 | H23 | 120.4° | 119.8° |
| C23 | C17 | C16 | 121.6° | 117.6° |
| C17 | C23 | H23 | 120.4° | 119.7° |
| C17 | C16 | C15 | 112.0° | 110.9° |
| C17 | C16 | H161 | 111.3° | 109.2° |
| C17 | C16 | H162 | 111.3° | 109.3° |
| C15 | C16 | H161 | 111.2° | 109.2° |
| C15 | C16 | H162 | 111.3° | 109.0° |
| C16 | C15 | C24 | 108.3° | 109.8° |
| C16 | C15 | H15 | 107.7° | 109.7° |
| H161 | C16 | H162 | 99.1° | 109.2° |
| C24 | C15 | H15 | 107.7° | 109.7° |
| C15 | C24 | O25 | 118.5° | 120.1° |
| C15 | C24 | N26 | 120.0° | 120.0° |
| O25 | C24 | N26 | 121.5° | 119.9° |
| C24 | N26 | H261 | 120.1° | 120.0° |
| C24 | N26 | H262 | 121.5° | 120.0° |
| H261 | N26 | H262 | 118.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F7 | C1 | C2 | C6 | 179.6° | 179.5° |
| F7 | C1 | C2 | C3 | 179.9° | 180.0° |
| F7 | C1 | C2 | H2 | 0.1° | 0.2° |
| F7 | C1 | C6 | C5 | 179.9° | 180.0° |
| F7 | C1 | C6 | C8 | 0.3° | 0.2° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C1 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.3° | 0.5° |
| C2 | C1 | C6 | C8 | 179.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.3° | 0.5° |
| C6 | C1 | C2 | H2 | 179.6° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C1 | C6 | C5 | C8 | 179.7° | 179.7° |
| C1 | C6 | C5 | H5 | 179.8° | 179.8° |
| C1 | C6 | C8 | C9 | 113.4° | 90.3° |
| C1 | C6 | C8 | H8C1 | 121.3° | 149.7° |
| C1 | C6 | C8 | H8C2 | 11.9° | 29.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C8 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C5 | C6 | C8 | C9 | 66.8° | 90.0° |
| C5 | C6 | C8 | H8C1 | 58.4° | 30.0° |
| C5 | C6 | C8 | H8C2 | 167.9° | 150.0° |
| H5 | C5 | C6 | C8 | 0.1° | 0.1° |
| C6 | C8 | C9 | H8C1 | 125.3° | 120.0° |
| C6 | C8 | C9 | H8C2 | 125.3° | 120.0° |
| C6 | C8 | H8C1 | H8C2 | 117.7° | 120.0° |
| C6 | C8 | C9 | N10 | 67.8° | 60.0° |
| C6 | C8 | C9 | C11 | 172.1° | 180.0° |
| C6 | C8 | C9 | H9 | 51.1° | 60.0° |
| C9 | C8 | H8C1 | H8C2 | 117.7° | 120.0° |
| C8 | C9 | N10 | C11 | 122.1° | 120.0° |
| C8 | C9 | N10 | H9 | 118.9° | 120.0° |
| C8 | C9 | C11 | H9 | 121.0° | 120.0° |
| C8 | C9 | N10 | H101 | 135.8° | 60.0° |
| C8 | C9 | N10 | H102 | 114.7° | 173.8° |
| C8 | C9 | C11 | C12 | 70.7° | 180.0° |
| C8 | C9 | C11 | H111 | 54.6° | 60.1° |
| C8 | C9 | C11 | H112 | 164.0° | 60.0° |
| H8C1 | C8 | C9 | N10 | 166.9° | 180.0° |
| H8C1 | C8 | C9 | C11 | 46.8° | 60.0° |
| H8C1 | C8 | C9 | H9 | 74.2° | 60.0° |
| H8C2 | C8 | C9 | N10 | 57.5° | 60.0° |
| H8C2 | C8 | C9 | C11 | 62.6° | 60.0° |
| H8C2 | C8 | C9 | H9 | 176.4° | 180.0° |
| N10 | C9 | C11 | H9 | 119.0° | 120.0° |
| C9 | N10 | H101 | H102 | 110.5° | 113.8° |
| N10 | C9 | C11 | C12 | 169.3° | 60.0° |
| N10 | C9 | C11 | H111 | 65.4° | 59.9° |
| N10 | C9 | C11 | H112 | 44.0° | 180.0° |
| C11 | C9 | N10 | H101 | 102.1° | 60.0° |
| C11 | C9 | N10 | H102 | 7.3° | 53.8° |
| C9 | C11 | C12 | H111 | 125.3° | 120.0° |
| C9 | C11 | C12 | H112 | 125.3° | 120.1° |
| C9 | C11 | H111 | H112 | 116.2° | 120.1° |
| C9 | C11 | C12 | O13 | 2.1° | 0.1° |
| C9 | C11 | C12 | N14 | 175.2° | 179.9° |
| H9 | C9 | N10 | H101 | 16.9° | 180.0° |
| H9 | C9 | N10 | H102 | 126.4° | 66.2° |
| H9 | C9 | C11 | C12 | 50.3° | 60.0° |
| H9 | C9 | C11 | H111 | 175.5° | 180.0° |
| H9 | C9 | C11 | H112 | 75.0° | 60.0° |
| C12 | C11 | H111 | H112 | 116.2° | 119.9° |
| C11 | C12 | O13 | N14 | 177.1° | 179.9° |
| C11 | C12 | N14 | C19 | 3.8° | 6.1° |
| C11 | C12 | N14 | C15 | 174.7° | 173.5° |
| H111 | C11 | C12 | O13 | 127.3° | 119.9° |
| H111 | C11 | C12 | N14 | 50.0° | 59.9° |
| H112 | C11 | C12 | O13 | 123.2° | 120.1° |
| H112 | C11 | C12 | N14 | 59.5° | 60.0° |
| O13 | C12 | N14 | C19 | 179.0° | 173.8° |
| O13 | C12 | N14 | C15 | 2.5° | 6.6° |
| C12 | N14 | C19 | C15 | 178.5° | 179.6° |
| C12 | N14 | C19 | C18 | 125.5° | 135.5° |
| C12 | N14 | C19 | H191 | 109.2° | 104.4° |
| C12 | N14 | C19 | H192 | 0.3° | 15.5° |
| C12 | N14 | C15 | C16 | 164.8° | 115.7° |
| C12 | N14 | C15 | C24 | 72.4° | 4.2° |
| C12 | N14 | C15 | H15 | 45.3° | 124.7° |
| N14 | C19 | C18 | H191 | 125.3° | 120.1° |
| N14 | C19 | C18 | H192 | 125.3° | 120.1° |
| N14 | C19 | H191 | H192 | 118.4° | 119.9° |
| N14 | C19 | C18 | C20 | 131.8° | 168.4° |
| N14 | C19 | C18 | C17 | 48.0° | 11.7° |
| C19 | N14 | C15 | C16 | 16.6° | 63.9° |
| C19 | N14 | C15 | C24 | 106.2° | 176.2° |
| C19 | N14 | C15 | H15 | 136.1° | 55.7° |
| C15 | N14 | C19 | C18 | 56.0° | 44.1° |
| C15 | N14 | C19 | H191 | 69.3° | 75.9° |
| C15 | N14 | C19 | H192 | 178.8° | 164.2° |
| N14 | C15 | C16 | C17 | 31.0° | 47.3° |
| N14 | C15 | C16 | C24 | 124.3° | 119.9° |
| N14 | C15 | C16 | H15 | 119.5° | 119.4° |
| N14 | C15 | C16 | H161 | 156.3° | 167.7° |
| N14 | C15 | C16 | H162 | 94.3° | 73.0° |
| N14 | C15 | C24 | H15 | 117.7° | 120.4° |
| N14 | C15 | C24 | O25 | 132.9° | 108.3° |
| N14 | C15 | C24 | N26 | 46.8° | 71.7° |
| C18 | C19 | H191 | H192 | 118.4° | 119.9° |
| C19 | C18 | C20 | C17 | 179.8° | 179.9° |
| C19 | C18 | C20 | C21 | 179.9° | 179.5° |
| C19 | C18 | C20 | H20 | 0.1° | 0.4° |
| C19 | C18 | C17 | C23 | 179.6° | 179.2° |
| C19 | C18 | C17 | C16 | 0.1° | 1.6° |
| H191 | C19 | C18 | C20 | 102.9° | 71.5° |
| H191 | C19 | C18 | C17 | 77.3° | 108.4° |
| H192 | C19 | C18 | C20 | 6.5° | 48.4° |
| H192 | C19 | C18 | C17 | 173.2° | 131.7° |
| C18 | C20 | C21 | H20 | 180.0° | 179.9° |
| C18 | C20 | C21 | C22 | 0.3° | 0.1° |
| C18 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C18 | C17 | C23 | 0.6° | 0.7° |
| C20 | C18 | C17 | C16 | 179.9° | 178.5° |
| C17 | C18 | C20 | C21 | 0.4° | 0.4° |
| C17 | C18 | C20 | H20 | 179.6° | 179.7° |
| C18 | C17 | C23 | C22 | 0.7° | 0.5° |
| C18 | C17 | C23 | C16 | 179.5° | 179.2° |
| C18 | C17 | C23 | H23 | 179.2° | 179.5° |
| C18 | C17 | C16 | C15 | 40.2° | 20.1° |
| C18 | C17 | C16 | H161 | 165.5° | 140.6° |
| C18 | C17 | C16 | H162 | 85.0° | 100.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.4° | 0.3° |
| C20 | C21 | C22 | H22 | 179.5° | 179.7° |
| H20 | C20 | C21 | C22 | 179.7° | 179.8° |
| H20 | C20 | C21 | H21 | 0.3° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C17 | 0.7° | 0.1° |
| C21 | C22 | C23 | H23 | 179.3° | 180.0° |
| H21 | C21 | C22 | C23 | 179.5° | 179.7° |
| H21 | C21 | C22 | H22 | 0.5° | 0.2° |
| C22 | C23 | C17 | H23 | 180.0° | 179.9° |
| C22 | C23 | C17 | C16 | 179.8° | 178.8° |
| H22 | C22 | C23 | C17 | 179.3° | 180.0° |
| H22 | C22 | C23 | H23 | 0.7° | 0.1° |
| C23 | C17 | C16 | C15 | 140.3° | 160.7° |
| C23 | C17 | C16 | H161 | 15.0° | 40.2° |
| C23 | C17 | C16 | H162 | 94.4° | 79.1° |
| C16 | C17 | C23 | H23 | 0.2° | 1.3° |
| C17 | C16 | C15 | H161 | 125.3° | 120.4° |
| C17 | C16 | C15 | H162 | 125.3° | 120.3° |
| C17 | C16 | H161 | H162 | 117.2° | 119.4° |
| C17 | C16 | C15 | C24 | 155.3° | 167.2° |
| C17 | C16 | C15 | H15 | 88.5° | 72.2° |
| C15 | C16 | H161 | H162 | 117.1° | 119.2° |
| C16 | C15 | C24 | H15 | 116.2° | 120.7° |
| C16 | C15 | C24 | O25 | 100.9° | 132.7° |
| C16 | C15 | C24 | N26 | 79.4° | 47.2° |
| H161 | C16 | C15 | C24 | 79.4° | 72.4° |
| H161 | C16 | C15 | H15 | 36.8° | 48.3° |
| H162 | C16 | C15 | C24 | 30.0° | 46.9° |
| H162 | C16 | C15 | H15 | 146.2° | 167.5° |
| C15 | C24 | O25 | N26 | 179.7° | 180.0° |
| C15 | C24 | N26 | H261 | 180.0° | 180.0° |
| C15 | C24 | N26 | H262 | 0.3° | 0.0° |
| H15 | C15 | C24 | O25 | 15.3° | 12.1° |
| H15 | C15 | C24 | N26 | 164.4° | 167.9° |
| O25 | C24 | N26 | H261 | 0.3° | 0.0° |
| O25 | C24 | N26 | H262 | 180.0° | 180.0° |
| C24 | N26 | H261 | H262 | 179.7° | 180.0° |
