EI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C17 | sing | 1.40Å | 1.37Å | |
| F20 | C17 | sing | 1.40Å | 1.37Å | |
| C17 | F18 | sing | 1.40Å | 1.37Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.45Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | C23 | sing | 1.51Å | 1.57Å | |
| C24 | C23 | sing | 1.54Å | 1.58Å | |
| C24 | N05 | sing | 1.48Å | 1.59Å | |
| C10 | C09 | sing | 1.53Å | 1.44Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C23 | C07 | sing | 1.54Å | 1.37Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| N05 | C03 | sing | 1.35Å | 1.46Å | |
| N05 | C06 | sing | 1.47Å | 1.38Å | |
| C03 | O04 | doub | 1.21Å | 1.18Å | |
| C07 | C08 | sing | 1.53Å | 1.58Å | |
| C07 | C06 | sing | 1.55Å | 1.65Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F19 | C17 | F20 | 109.4° | 109.4° |
| F19 | C17 | F18 | 109.7° | 109.5° |
| F19 | C17 | C16 | 109.2° | 109.5° |
| F20 | C17 | F18 | 110.0° | 109.5° |
| F20 | C17 | C16 | 109.4° | 109.5° |
| F18 | C17 | C16 | 109.3° | 109.5° |
| C17 | C16 | C15 | 119.3° | 119.9° |
| C17 | C16 | C21 | 120.5° | 119.9° |
| C15 | C16 | C21 | 120.2° | 120.2° |
| C16 | C15 | C14 | 119.8° | 120.1° |
| C16 | C15 | H4 | 120.1° | 120.0° |
| C16 | C21 | C22 | 120.0° | 120.1° |
| C16 | C21 | H5 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.1° | 119.9° |
| C14 | C15 | H4 | 120.1° | 119.9° |
| C15 | C14 | H22 | 119.9° | 120.0° |
| C21 | C22 | C13 | 119.7° | 119.9° |
| C22 | C21 | H5 | 120.0° | 120.0° |
| C21 | C22 | H6 | 120.2° | 120.0° |
| C14 | C13 | C22 | 120.2° | 119.9° |
| C14 | C13 | N12 | 119.1° | 120.1° |
| C13 | C14 | H22 | 120.0° | 120.1° |
| C22 | C13 | N12 | 120.8° | 120.1° |
| C13 | C22 | H6 | 120.1° | 120.1° |
| C13 | N12 | C11 | 119.1° | 120.0° |
| C13 | N12 | H3 | 107.0° | 120.0° |
| N12 | C11 | C10 | 108.8° | 109.1° |
| N12 | C11 | C23 | 108.7° | 109.0° |
| C11 | N12 | H3 | 107.0° | 119.9° |
| N12 | C11 | H21 | 109.1° | 109.0° |
| C10 | C11 | C23 | 114.1° | 111.7° |
| C11 | C10 | C09 | 114.0° | 108.1° |
| C11 | C10 | H1 | 108.3° | 109.8° |
| C11 | C10 | H2 | 108.3° | 109.8° |
| C10 | C11 | H21 | 108.4° | 109.0° |
| C11 | C23 | C24 | 120.6° | 113.0° |
| C11 | C23 | C07 | 112.9° | 113.9° |
| C23 | C11 | H21 | 107.7° | 109.0° |
| C11 | C23 | H23 | 105.8° | 109.3° |
| C23 | C24 | N05 | 103.1° | 104.0° |
| C24 | C23 | C07 | 102.9° | 102.5° |
| C23 | C24 | H7 | 111.1° | 110.5° |
| C23 | C24 | H8 | 111.0° | 110.5° |
| C24 | C23 | H23 | 105.7° | 109.2° |
| C24 | N05 | C03 | 128.2° | 125.6° |
| C24 | N05 | C06 | 104.2° | 108.7° |
| N05 | C24 | H7 | 111.0° | 110.5° |
| N05 | C24 | H8 | 111.0° | 110.5° |
| C10 | C09 | C08 | 114.0° | 108.4° |
| C09 | C10 | H1 | 108.3° | 109.7° |
| C09 | C10 | H2 | 108.4° | 109.7° |
| C10 | C09 | H19 | 108.4° | 109.7° |
| C10 | C09 | H20 | 108.3° | 109.7° |
| C01 | C02 | C03 | 115.2° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.4° | 109.5° |
| C01 | C02 | H12 | 108.0° | 109.5° |
| C01 | C02 | H13 | 108.0° | 109.5° |
| C02 | C03 | N05 | 122.2° | 119.9° |
| C02 | C03 | O04 | 119.2° | 120.0° |
| C03 | C02 | H12 | 108.0° | 109.5° |
| C03 | C02 | H13 | 108.0° | 109.5° |
| C23 | C07 | C08 | 112.1° | 111.0° |
| C23 | C07 | C06 | 105.0° | 101.7° |
| C23 | C07 | H16 | 115.0° | 112.8° |
| C07 | C23 | H23 | 108.3° | 108.7° |
| C09 | C08 | C07 | 114.3° | 111.0° |
| C09 | C08 | H17 | 108.2° | 109.1° |
| C09 | C08 | H18 | 108.3° | 109.1° |
| C08 | C09 | H19 | 108.3° | 109.7° |
| C08 | C09 | H20 | 108.3° | 109.7° |
| C03 | N05 | C06 | 127.6° | 125.7° |
| N05 | C03 | O04 | 118.6° | 120.0° |
| N05 | C06 | C07 | 108.9° | 107.0° |
| N05 | C06 | H14 | 109.6° | 110.0° |
| N05 | C06 | H15 | 109.6° | 110.0° |
| C08 | C07 | C06 | 101.6° | 106.4° |
| C08 | C07 | H16 | 111.5° | 112.0° |
| C07 | C08 | H17 | 108.2° | 109.2° |
| C07 | C08 | H18 | 108.2° | 109.2° |
| C07 | C06 | H14 | 109.6° | 110.0° |
| C07 | C06 | H15 | 109.6° | 109.9° |
| C06 | C07 | H16 | 110.5° | 112.3° |
| H1 | C10 | H2 | 109.5° | 109.8° |
| H7 | C24 | H8 | 109.4° | 110.6° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C02 | H13 | 109.5° | 109.4° |
| H14 | C06 | H15 | 109.5° | 110.0° |
| H17 | C08 | H18 | 109.5° | 109.1° |
| H19 | C09 | H20 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C17 | F20 | F18 | 120.5° | 120.0° |
| F19 | C17 | F20 | C16 | 119.6° | 120.0° |
| F19 | C17 | F18 | C16 | 119.7° | 120.0° |
| F19 | C17 | C16 | C15 | 63.2° | 150.0° |
| F19 | C17 | C16 | C21 | 116.7° | 29.8° |
| F20 | C17 | F18 | C16 | 120.0° | 120.0° |
| F20 | C17 | C16 | C15 | 56.5° | 30.0° |
| F20 | C17 | C16 | C21 | 123.6° | 149.8° |
| F18 | C17 | C16 | C15 | 176.9° | 90.0° |
| F18 | C17 | C16 | C21 | 3.3° | 90.2° |
| C17 | C16 | C15 | C21 | 179.9° | 179.8° |
| C17 | C16 | C15 | C14 | 179.9° | 180.0° |
| C17 | C16 | C21 | C22 | 179.9° | 180.0° |
| C17 | C16 | C15 | H4 | 0.1° | 0.0° |
| C17 | C16 | C21 | H5 | 0.1° | 0.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C15 | C16 | C21 | C22 | 0.0° | 0.2° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C16 | C21 | H5 | 180.0° | 179.8° |
| C16 | C15 | C14 | H22 | 180.0° | 179.9° |
| C21 | C16 | C15 | C14 | 0.0° | 0.2° |
| C16 | C21 | C22 | H5 | 180.0° | 180.0° |
| C16 | C21 | C22 | C13 | 0.0° | 0.0° |
| C21 | C16 | C15 | H4 | 179.9° | 179.8° |
| C16 | C21 | C22 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | H22 | 180.0° | 179.9° |
| C15 | C14 | C13 | C22 | 0.1° | 0.2° |
| C15 | C14 | C13 | N12 | 179.8° | 180.0° |
| C21 | C22 | C13 | C14 | 0.1° | 0.2° |
| C21 | C22 | C13 | H6 | 180.0° | 180.0° |
| C21 | C22 | C13 | N12 | 179.8° | 180.0° |
| C14 | C13 | C22 | N12 | 179.7° | 179.8° |
| C14 | C13 | N12 | C11 | 18.1° | 0.2° |
| C14 | C13 | N12 | H3 | 103.2° | 179.8° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C14 | C13 | C22 | H6 | 179.9° | 179.8° |
| C22 | C13 | N12 | C11 | 161.6° | 180.0° |
| C22 | C13 | N12 | H3 | 77.0° | 0.0° |
| C13 | C22 | C21 | H5 | 180.0° | 180.0° |
| C22 | C13 | C14 | H22 | 179.9° | 179.7° |
| C13 | N12 | C11 | H3 | 121.4° | 180.0° |
| C13 | N12 | C11 | C10 | 103.4° | 85.0° |
| C13 | N12 | C11 | C23 | 131.8° | 152.8° |
| N12 | C13 | C22 | H6 | 0.2° | 0.0° |
| C13 | N12 | C11 | H21 | 14.7° | 33.9° |
| N12 | C13 | C14 | H22 | 0.2° | 0.1° |
| N12 | C11 | C10 | C23 | 121.5° | 120.6° |
| N12 | C11 | C10 | H21 | 118.5° | 118.9° |
| N12 | C11 | C23 | H21 | 118.0° | 118.9° |
| N12 | C11 | C23 | C24 | 142.3° | 174.3° |
| N12 | C11 | C10 | C09 | 151.7° | 61.7° |
| N12 | C11 | C23 | C07 | 95.6° | 69.3° |
| N12 | C11 | C10 | H1 | 31.1° | 178.7° |
| N12 | C11 | C10 | H2 | 87.6° | 58.0° |
| N12 | C11 | C23 | H23 | 22.7° | 52.5° |
| C10 | C11 | C23 | H21 | 120.4° | 120.5° |
| C10 | C11 | C23 | C24 | 96.1° | 65.1° |
| C11 | C10 | C09 | H1 | 120.7° | 119.7° |
| C11 | C10 | C09 | H2 | 120.6° | 119.7° |
| C10 | C11 | C23 | C07 | 26.0° | 51.4° |
| C11 | C10 | C09 | C08 | 52.1° | 64.1° |
| C11 | C10 | H1 | H2 | 117.9° | 120.8° |
| C10 | C11 | N12 | H3 | 135.2° | 95.0° |
| C11 | C10 | C09 | H19 | 172.8° | 55.6° |
| C11 | C10 | C09 | H20 | 68.5° | 176.1° |
| C10 | C11 | C23 | H23 | 144.3° | 173.1° |
| C11 | C23 | C24 | C07 | 126.8° | 123.1° |
| C11 | C23 | C24 | H23 | 119.7° | 121.9° |
| C11 | C23 | C24 | N05 | 167.1° | 161.5° |
| C23 | C11 | C10 | C09 | 30.2° | 58.9° |
| C11 | C23 | C07 | H23 | 116.8° | 122.1° |
| C11 | C23 | C07 | C08 | 57.3° | 47.6° |
| C11 | C23 | C07 | C06 | 166.8° | 160.4° |
| C23 | C11 | C10 | H1 | 90.5° | 60.7° |
| C23 | C11 | C10 | H2 | 150.9° | 178.6° |
| C23 | C11 | N12 | H3 | 10.5° | 27.3° |
| C11 | C23 | C24 | H7 | 48.1° | 42.8° |
| C11 | C23 | C24 | H8 | 73.9° | 79.9° |
| C11 | C23 | C07 | H16 | 71.5° | 79.1° |
| C23 | C24 | N05 | H7 | 119.0° | 118.6° |
| C23 | C24 | N05 | H8 | 119.0° | 118.6° |
| C24 | C23 | C07 | H23 | 111.6° | 115.5° |
| C23 | C24 | N05 | C03 | 152.5° | 156.6° |
| C23 | C24 | N05 | C06 | 27.5° | 23.3° |
| C24 | C23 | C07 | C08 | 74.3° | 74.9° |
| C24 | C23 | C07 | C06 | 35.2° | 38.0° |
| C23 | C24 | H7 | H8 | 123.0° | 122.7° |
| C24 | C23 | C07 | H16 | 156.9° | 158.5° |
| C24 | C23 | C11 | H21 | 24.3° | 55.4° |
| C24 | N05 | C03 | C02 | 0.6° | 180.0° |
| N05 | C24 | C23 | C07 | 40.3° | 38.4° |
| C24 | N05 | C03 | C06 | 180.0° | 179.9° |
| C24 | N05 | C03 | O04 | 179.8° | 0.0° |
| C24 | N05 | C06 | C07 | 7.1° | 1.0° |
| N05 | C24 | H7 | H8 | 122.9° | 122.7° |
| C24 | N05 | C06 | H14 | 112.8° | 118.4° |
| C24 | N05 | C06 | H15 | 127.0° | 120.3° |
| N05 | C24 | C23 | H23 | 73.2° | 76.7° |
| C10 | C09 | C08 | H19 | 120.7° | 119.7° |
| C10 | C09 | C08 | H20 | 120.7° | 119.7° |
| C10 | C09 | C08 | C07 | 20.5° | 62.3° |
| C09 | C10 | H1 | H2 | 118.0° | 120.6° |
| C10 | C09 | C08 | H17 | 100.1° | 58.1° |
| C10 | C09 | C08 | H18 | 141.2° | 177.2° |
| C10 | C09 | H19 | H20 | 118.0° | 120.5° |
| C09 | C10 | C11 | H21 | 89.7° | 179.4° |
| C01 | C02 | C03 | H12 | 120.8° | 120.0° |
| C01 | C02 | C03 | H13 | 120.8° | 120.0° |
| C01 | C02 | C03 | N05 | 140.7° | 180.0° |
| C01 | C02 | C03 | O04 | 38.6° | 0.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | H12 | H13 | 117.4° | 120.0° |
| C02 | C03 | N05 | O04 | 179.2° | 180.0° |
| C02 | C03 | N05 | C06 | 179.4° | 0.1° |
| C03 | C02 | C01 | H9 | 180.0° | 60.0° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C03 | C02 | C01 | H11 | 60.0° | 180.0° |
| C03 | C02 | H12 | H13 | 117.4° | 120.0° |
| C23 | C07 | C08 | C09 | 35.4° | 53.0° |
| C23 | C07 | C06 | N05 | 19.1° | 24.6° |
| C23 | C07 | C08 | C06 | 111.6° | 109.8° |
| C23 | C07 | C08 | H16 | 130.7° | 127.1° |
| C23 | C07 | C06 | H16 | 124.6° | 120.8° |
| C07 | C23 | C24 | H7 | 78.7° | 80.2° |
| C07 | C23 | C24 | H8 | 159.3° | 157.1° |
| C23 | C07 | C06 | H14 | 139.0° | 94.8° |
| C23 | C07 | C06 | H15 | 100.8° | 144.0° |
| C23 | C07 | C08 | H17 | 156.1° | 67.4° |
| C23 | C07 | C08 | H18 | 85.3° | 173.4° |
| C07 | C23 | C11 | H21 | 146.4° | 171.9° |
| C09 | C08 | C07 | H17 | 120.7° | 120.4° |
| C09 | C08 | C07 | H18 | 120.7° | 120.4° |
| C09 | C08 | C07 | C06 | 147.0° | 162.8° |
| C08 | C09 | C10 | H1 | 68.5° | 55.5° |
| C08 | C09 | C10 | H2 | 172.8° | 176.2° |
| C09 | C08 | C07 | H16 | 95.2° | 74.1° |
| C09 | C08 | H17 | H18 | 117.9° | 119.2° |
| C08 | C09 | H19 | H20 | 117.9° | 120.5° |
| C03 | N05 | C06 | C07 | 172.9° | 179.1° |
| C03 | N05 | C24 | H7 | 88.5° | 84.8° |
| C03 | N05 | C24 | H8 | 33.5° | 38.0° |
| N05 | C03 | C02 | H12 | 19.8° | 60.0° |
| N05 | C03 | C02 | H13 | 98.5° | 60.0° |
| C03 | N05 | C06 | H14 | 67.2° | 61.5° |
| C03 | N05 | C06 | H15 | 53.0° | 59.7° |
| C06 | N05 | C03 | O04 | 0.2° | 179.9° |
| N05 | C06 | C07 | C08 | 97.9° | 91.6° |
| N05 | C06 | C07 | H14 | 119.9° | 119.4° |
| N05 | C06 | C07 | H15 | 119.9° | 119.4° |
| C06 | N05 | C24 | H7 | 91.5° | 95.3° |
| C06 | N05 | C24 | H8 | 146.5° | 141.9° |
| N05 | C06 | H14 | H15 | 120.3° | 121.2° |
| N05 | C06 | C07 | H16 | 143.7° | 145.5° |
| O04 | C03 | C02 | H12 | 159.4° | 120.0° |
| O04 | C03 | C02 | H13 | 82.3° | 120.0° |
| C08 | C07 | C06 | H16 | 118.5° | 122.9° |
| C08 | C07 | C06 | H14 | 22.1° | 149.0° |
| C08 | C07 | C06 | H15 | 142.2° | 27.8° |
| C07 | C08 | H17 | H18 | 117.8° | 119.3° |
| C07 | C08 | C09 | H19 | 141.2° | 57.4° |
| C07 | C08 | C09 | H20 | 100.1° | 177.9° |
| C08 | C07 | C23 | H23 | 174.1° | 169.7° |
| C07 | C06 | H14 | H15 | 120.3° | 121.2° |
| C06 | C07 | C08 | H17 | 92.3° | 42.4° |
| C06 | C07 | C08 | H18 | 26.3° | 76.8° |
| C06 | C07 | C23 | H23 | 76.4° | 77.5° |
| H1 | C10 | C09 | H19 | 52.1° | 175.3° |
| H1 | C10 | C09 | H20 | 170.8° | 64.2° |
| H1 | C10 | C11 | H21 | 149.6° | 59.8° |
| H2 | C10 | C09 | H19 | 66.6° | 64.1° |
| H2 | C10 | C09 | H20 | 52.1° | 56.5° |
| H2 | C10 | C11 | H21 | 30.9° | 60.9° |
| H3 | N12 | C11 | H21 | 106.7° | 146.1° |
| H4 | C15 | C14 | H22 | 0.0° | 0.1° |
| H5 | C21 | C22 | H6 | 0.0° | 0.0° |
| H7 | C24 | C23 | H23 | 167.8° | 164.7° |
| H8 | C24 | C23 | H23 | 45.8° | 42.0° |
| H9 | C01 | H10 | H11 | 120.0° | 119.9° |
| H9 | C01 | C02 | H12 | 59.2° | 60.0° |
| H9 | C01 | C02 | H13 | 59.1° | 180.0° |
| H10 | C01 | C02 | H12 | 60.8° | 180.0° |
| H10 | C01 | C02 | H13 | 179.1° | 60.0° |
| H11 | C01 | C02 | H12 | 179.2° | 60.0° |
| H11 | C01 | C02 | H13 | 60.9° | 59.9° |
| H14 | C06 | C07 | H16 | 96.4° | 26.1° |
| H15 | C06 | C07 | H16 | 23.8° | 95.2° |
| H16 | C07 | C08 | H17 | 25.4° | 165.6° |
| H16 | C07 | C08 | H18 | 144.0° | 46.3° |
| H16 | C07 | C23 | H23 | 45.3° | 43.0° |
| H17 | C08 | C09 | H19 | 20.5° | 177.8° |
| H17 | C08 | C09 | H20 | 139.2° | 61.7° |
| H18 | C08 | C09 | H19 | 98.1° | 63.0° |
| H18 | C08 | C09 | H20 | 20.6° | 57.5° |
| H21 | C11 | C23 | H23 | 95.3° | 66.4° |
