EGK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C10 | sing | 1.40Å | 1.32Å | |
| F1 | C10 | sing | 1.40Å | 1.33Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | F2 | sing | 1.40Å | 1.32Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.39Å | 1.50Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| C | N1 | sing | 1.35Å | 1.35Å | |
| C | N | trip | 1.14Å | 1.26Å | |
| N2 | C4 | sing | 1.40Å | 1.36Å | |
| N2 | C3 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C15 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.56Å | |
| C2 | C14 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C10 | F1 | 109.8° | 109.5° |
| F | C10 | C9 | 110.3° | 109.5° |
| F | C10 | F2 | 107.6° | 109.5° |
| F1 | C10 | C9 | 109.5° | 109.5° |
| F1 | C10 | F2 | 110.9° | 109.4° |
| C9 | C10 | F2 | 108.7° | 109.5° |
| C10 | C9 | C8 | 119.2° | 120.0° |
| C10 | C9 | C4 | 120.5° | 120.0° |
| C8 | C9 | C4 | 120.3° | 119.9° |
| C9 | C8 | C7 | 119.3° | 120.1° |
| C9 | C8 | H5 | 120.4° | 120.0° |
| C9 | C4 | N2 | 118.8° | 120.1° |
| C9 | C4 | C5 | 118.1° | 119.8° |
| C8 | C7 | C6 | 120.7° | 120.1° |
| C8 | C7 | H4 | 119.7° | 120.0° |
| C7 | C8 | H5 | 120.4° | 120.0° |
| N1 | C1 | C2 | 100.2° | 104.1° |
| C1 | N1 | C | 133.5° | 125.7° |
| C1 | N1 | C15 | 109.5° | 108.7° |
| N1 | C1 | H15 | 111.7° | 110.5° |
| N1 | C1 | H16 | 111.7° | 110.5° |
| C1 | C2 | C3 | 121.6° | 113.0° |
| C1 | C2 | C14 | 103.1° | 102.4° |
| C2 | C1 | H15 | 111.7° | 110.5° |
| C2 | C1 | H16 | 111.7° | 110.6° |
| C1 | C2 | H22 | 105.9° | 109.2° |
| N1 | C | N | 114.9° | 180.0° |
| C | N1 | C15 | 116.9° | 125.7° |
| C4 | N2 | C3 | 125.6° | 120.0° |
| N2 | C4 | C5 | 123.2° | 120.1° |
| C4 | N2 | H24 | 105.3° | 120.0° |
| N2 | C3 | C2 | 114.2° | 109.0° |
| N2 | C3 | C11 | 108.8° | 109.1° |
| N2 | C3 | H23 | 107.1° | 108.9° |
| C3 | N2 | H24 | 105.3° | 120.0° |
| C7 | C6 | C5 | 122.3° | 120.1° |
| C7 | C6 | H3 | 118.9° | 119.9° |
| C6 | C7 | H4 | 119.7° | 119.9° |
| C4 | C5 | C6 | 119.4° | 119.9° |
| C4 | C5 | H2 | 120.3° | 120.1° |
| N1 | C15 | C14 | 94.1° | 107.0° |
| N1 | C15 | H8 | 113.1° | 110.0° |
| N1 | C15 | H9 | 113.1° | 109.9° |
| C3 | C2 | C14 | 113.1° | 113.9° |
| C2 | C3 | C11 | 113.9° | 111.7° |
| C3 | C2 | H22 | 105.9° | 109.2° |
| C2 | C3 | H23 | 106.0° | 109.0° |
| C2 | C14 | C15 | 106.9° | 101.5° |
| C2 | C14 | C13 | 118.0° | 111.3° |
| C2 | C14 | H21 | 106.7° | 112.5° |
| C14 | C2 | H22 | 106.1° | 108.9° |
| C6 | C5 | H2 | 120.3° | 120.0° |
| C5 | C6 | H3 | 118.9° | 120.0° |
| C3 | C11 | C12 | 116.3° | 108.5° |
| C3 | C11 | H17 | 107.7° | 110.0° |
| C3 | C11 | H18 | 107.7° | 109.0° |
| C11 | C3 | H23 | 106.3° | 109.0° |
| C15 | C14 | C13 | 110.8° | 106.4° |
| C14 | C15 | H8 | 113.2° | 110.0° |
| C14 | C15 | H9 | 113.2° | 110.0° |
| C15 | C14 | H21 | 106.9° | 112.4° |
| C14 | C13 | C12 | 114.7° | 111.0° |
| C14 | C13 | H6 | 108.2° | 108.6° |
| C14 | C13 | H7 | 108.1° | 109.6° |
| C13 | C14 | H21 | 106.9° | 112.1° |
| C11 | C12 | C13 | 115.0° | 108.5° |
| C12 | C11 | H17 | 107.7° | 109.8° |
| C12 | C11 | H18 | 107.7° | 109.7° |
| C11 | C12 | H19 | 108.0° | 109.7° |
| C11 | C12 | H20 | 108.1° | 109.6° |
| C12 | C13 | H6 | 108.1° | 109.2° |
| C12 | C13 | H7 | 108.1° | 109.2° |
| C13 | C12 | H19 | 108.1° | 109.7° |
| C13 | C12 | H20 | 108.1° | 109.7° |
| H6 | C13 | H7 | 109.5° | 109.2° |
| H8 | C15 | H9 | 109.5° | 109.9° |
| H15 | C1 | H16 | 109.5° | 110.6° |
| H17 | C11 | H18 | 109.5° | 109.7° |
| H19 | C12 | H20 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C10 | F1 | C9 | 121.3° | 120.0° |
| F | C10 | F1 | F2 | 118.7° | 120.0° |
| F | C10 | C9 | F2 | 117.7° | 120.0° |
| F | C10 | C9 | C8 | 123.0° | 120.0° |
| F | C10 | C9 | C4 | 57.3° | 60.0° |
| F1 | C10 | C9 | F2 | 121.3° | 119.9° |
| F1 | C10 | C9 | C8 | 2.0° | 120.0° |
| F1 | C10 | C9 | C4 | 178.3° | 60.0° |
| C10 | C9 | C8 | C4 | 179.7° | 180.0° |
| C10 | C9 | C8 | C7 | 179.8° | 180.0° |
| C10 | C9 | C4 | N2 | 0.8° | 0.2° |
| C10 | C9 | C4 | C5 | 179.8° | 180.0° |
| C10 | C9 | C8 | H5 | 0.2° | 0.1° |
| F2 | C10 | C9 | C8 | 119.3° | 0.1° |
| F2 | C10 | C9 | C4 | 60.4° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C4 | N2 | 179.5° | 179.7° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C9 | C4 | C5 | 0.5° | 0.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.1° | 0.1° |
| C9 | C4 | N2 | C5 | 179.0° | 179.8° |
| C9 | C4 | N2 | C3 | 168.8° | 179.7° |
| C9 | C4 | C5 | C6 | 0.6° | 0.0° |
| C9 | C4 | C5 | H2 | 179.4° | 180.0° |
| C4 | C9 | C8 | H5 | 179.9° | 179.9° |
| C9 | C4 | N2 | H24 | 69.0° | 0.2° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H3 | 179.8° | 180.0° |
| N1 | C1 | C2 | H15 | 118.5° | 118.6° |
| N1 | C1 | C2 | H16 | 118.5° | 118.7° |
| C1 | N1 | C | C15 | 175.8° | 179.6° |
| C1 | N1 | C | N | 138.0° | 177.1° |
| N1 | C1 | C2 | C3 | 137.2° | 161.5° |
| N1 | C1 | C2 | C14 | 9.2° | 38.6° |
| C1 | N1 | C15 | C14 | 51.6° | 1.3° |
| C1 | N1 | C15 | H8 | 169.0° | 118.2° |
| C1 | N1 | C15 | H9 | 65.7° | 120.7° |
| N1 | C1 | H15 | H16 | 124.3° | 122.7° |
| N1 | C1 | C2 | H22 | 102.1° | 76.7° |
| C2 | C1 | N1 | C | 135.9° | 156.4° |
| C1 | C2 | C3 | N2 | 35.5° | 55.4° |
| C2 | C1 | N1 | C15 | 40.1° | 23.3° |
| C1 | C2 | C3 | C14 | 123.5° | 116.3° |
| C1 | C2 | C3 | H22 | 120.7° | 121.8° |
| C1 | C2 | C14 | H22 | 111.1° | 115.5° |
| C1 | C2 | C3 | C11 | 90.4° | 65.2° |
| C1 | C2 | C14 | C15 | 21.4° | 38.2° |
| C1 | C2 | C14 | C13 | 147.0° | 74.6° |
| C2 | C1 | H15 | H16 | 124.3° | 122.7° |
| C1 | C2 | C14 | H21 | 92.8° | 158.6° |
| C1 | C2 | C3 | H23 | 153.1° | 174.3° |
| C | N1 | C15 | C14 | 125.1° | 179.1° |
| C | N1 | C15 | H8 | 7.8° | 61.5° |
| C | N1 | C15 | H9 | 117.5° | 59.6° |
| C | N1 | C1 | H15 | 105.6° | 85.0° |
| C | N1 | C1 | H16 | 17.5° | 37.7° |
| N | C | N1 | C15 | 46.2° | 3.3° |
| C4 | N2 | C3 | H24 | 122.2° | 180.0° |
| C4 | N2 | C3 | C2 | 163.8° | 155.0° |
| N2 | C4 | C5 | C6 | 179.6° | 179.8° |
| C4 | N2 | C3 | C11 | 67.8° | 82.7° |
| N2 | C4 | C5 | H2 | 0.4° | 0.3° |
| C4 | N2 | C3 | H23 | 46.7° | 36.2° |
| C3 | N2 | C4 | C5 | 12.2° | 0.1° |
| N2 | C3 | C2 | C11 | 125.9° | 120.6° |
| N2 | C3 | C2 | H23 | 117.7° | 118.8° |
| N2 | C3 | C2 | C14 | 159.0° | 171.7° |
| N2 | C3 | C11 | H23 | 115.0° | 118.8° |
| N2 | C3 | C11 | C12 | 178.7° | 179.1° |
| N2 | C3 | C11 | H17 | 57.7° | 60.8° |
| N2 | C3 | C11 | H18 | 60.3° | 59.6° |
| N2 | C3 | C2 | H22 | 85.2° | 66.3° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 179.5° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| C5 | C4 | N2 | H24 | 110.0° | 180.0° |
| N1 | C15 | C14 | C2 | 42.6° | 25.0° |
| N1 | C15 | C14 | H8 | 117.4° | 119.4° |
| N1 | C15 | C14 | H9 | 117.3° | 119.4° |
| N1 | C15 | C14 | C13 | 172.5° | 91.6° |
| N1 | C15 | H8 | H9 | 127.2° | 121.2° |
| C15 | N1 | C1 | H15 | 78.4° | 95.3° |
| C15 | N1 | C1 | H16 | 158.6° | 142.0° |
| N1 | C15 | C14 | H21 | 71.4° | 145.4° |
| C3 | C2 | C14 | H22 | 115.7° | 122.1° |
| C2 | C3 | C11 | H23 | 116.3° | 120.5° |
| C3 | C2 | C14 | C15 | 111.8° | 160.6° |
| C3 | C2 | C14 | C13 | 13.8° | 47.7° |
| C2 | C3 | C11 | C12 | 50.1° | 58.5° |
| C3 | C2 | C1 | H15 | 18.7° | 42.9° |
| C3 | C2 | C1 | H16 | 104.3° | 79.8° |
| C2 | C3 | C11 | H17 | 71.0° | 178.6° |
| C2 | C3 | C11 | H18 | 171.0° | 61.0° |
| C3 | C2 | C14 | H21 | 134.1° | 79.1° |
| C2 | C3 | N2 | H24 | 41.6° | 25.0° |
| C14 | C2 | C3 | C11 | 33.1° | 51.1° |
| C2 | C14 | C15 | C13 | 129.8° | 116.5° |
| C2 | C14 | C15 | H21 | 114.0° | 120.4° |
| C2 | C14 | C13 | H21 | 120.1° | 127.0° |
| C2 | C14 | C13 | C12 | 46.8° | 53.0° |
| C2 | C14 | C13 | H6 | 74.0° | 67.0° |
| C2 | C14 | C13 | H7 | 167.6° | 173.7° |
| C2 | C14 | C15 | H8 | 160.0° | 94.4° |
| C2 | C14 | C15 | H9 | 74.7° | 144.4° |
| C14 | C2 | C1 | H15 | 109.3° | 80.0° |
| C14 | C2 | C1 | H16 | 127.6° | 157.3° |
| C14 | C2 | C3 | H23 | 83.4° | 69.5° |
| C5 | C6 | C7 | H4 | 179.8° | 179.9° |
| C3 | C11 | C12 | H17 | 121.0° | 120.2° |
| C3 | C11 | C12 | H18 | 121.0° | 119.1° |
| C3 | C11 | C12 | C13 | 17.3° | 63.6° |
| C3 | C11 | H17 | H18 | 116.9° | 120.0° |
| C3 | C11 | C12 | H19 | 138.0° | 56.2° |
| C3 | C11 | C12 | H20 | 103.6° | 176.7° |
| C11 | C3 | C2 | H22 | 148.9° | 173.0° |
| C11 | C3 | N2 | H24 | 170.0° | 97.3° |
| C15 | C14 | C13 | H21 | 116.2° | 123.2° |
| C15 | C14 | C13 | C12 | 76.9° | 162.8° |
| C15 | C14 | C13 | H6 | 162.3° | 42.7° |
| C15 | C14 | C13 | H7 | 43.9° | 76.5° |
| C14 | C15 | H8 | H9 | 127.2° | 121.3° |
| C15 | C14 | C2 | H22 | 132.5° | 77.3° |
| C14 | C13 | C12 | C11 | 29.8° | 61.7° |
| C14 | C13 | C12 | H6 | 120.8° | 119.7° |
| C14 | C13 | C12 | H7 | 120.8° | 121.0° |
| C14 | C13 | H6 | H7 | 117.6° | 119.5° |
| C13 | C14 | C15 | H8 | 70.2° | 149.0° |
| C13 | C14 | C15 | H9 | 55.1° | 27.8° |
| C14 | C13 | C12 | H19 | 91.0° | 58.0° |
| C14 | C13 | C12 | H20 | 150.7° | 178.6° |
| C13 | C14 | C2 | H22 | 101.9° | 169.8° |
| C11 | C12 | C13 | H19 | 120.8° | 119.8° |
| C11 | C12 | C13 | H20 | 120.8° | 119.7° |
| C11 | C12 | C13 | H6 | 91.0° | 58.0° |
| C11 | C12 | C13 | H7 | 150.6° | 177.3° |
| C12 | C11 | H17 | H18 | 116.9° | 120.7° |
| C11 | C12 | H19 | H20 | 117.5° | 120.4° |
| C12 | C11 | C3 | H23 | 66.3° | 62.1° |
| C12 | C13 | H6 | H7 | 117.6° | 119.3° |
| C13 | C12 | C11 | H17 | 103.8° | 176.2° |
| C13 | C12 | C11 | H18 | 138.2° | 55.5° |
| C13 | C12 | H19 | H20 | 117.5° | 120.5° |
| C12 | C13 | C14 | H21 | 167.0° | 74.0° |
| H2 | C5 | C6 | H3 | 0.5° | 0.0° |
| H3 | C6 | C7 | H4 | 0.2° | 0.0° |
| H4 | C7 | C8 | H5 | 0.0° | 0.2° |
| H6 | C13 | C12 | H19 | 148.3° | 177.8° |
| H6 | C13 | C12 | H20 | 29.9° | 61.7° |
| H6 | C13 | C14 | H21 | 46.2° | 165.9° |
| H7 | C13 | C12 | H19 | 29.8° | 62.9° |
| H7 | C13 | C12 | H20 | 88.6° | 57.6° |
| H7 | C13 | C14 | H21 | 72.3° | 46.7° |
| H8 | C15 | C14 | H21 | 46.0° | 26.0° |
| H9 | C15 | C14 | H21 | 171.3° | 95.2° |
| H15 | C1 | C2 | H22 | 139.4° | 164.7° |
| H16 | C1 | C2 | H22 | 16.3° | 42.0° |
| H17 | C11 | C12 | H19 | 17.0° | 64.0° |
| H17 | C11 | C12 | H20 | 135.4° | 56.5° |
| H17 | C11 | C3 | H23 | 172.7° | 58.1° |
| H18 | C11 | C12 | H19 | 101.0° | 175.3° |
| H18 | C11 | C12 | H20 | 17.4° | 64.2° |
| H18 | C11 | C3 | H23 | 54.7° | 178.4° |
| H21 | C14 | C2 | H22 | 18.4° | 43.0° |
| H22 | C2 | C3 | H23 | 32.5° | 52.5° |
| H23 | C3 | N2 | H24 | 75.5° | 143.9° |
