T06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C22 | sing | 1.35Å | 1.35Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C26 | doub | 1.39Å | 1.44Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
| C26 | N12 | sing | 1.40Å | 1.52Å | |
| N12 | N08 | sing | 1.40Å | 1.41Å | Aromatic |
| N12 | C06 | sing | 1.37Å | 1.47Å | Aromatic |
| C13 | C09 | sing | 1.53Å | 1.54Å | |
| N08 | C07 | doub | 1.30Å | 1.35Å | Aromatic |
| N05 | C06 | doub | 1.32Å | 1.38Å | Aromatic |
| N05 | C01 | sing | 1.32Å | 1.37Å | Aromatic |
| C06 | C04 | sing | 1.41Å | 1.45Å | Aromatic |
| C09 | C01 | sing | 1.51Å | 1.61Å | |
| C01 | C02 | doub | 1.39Å | 1.43Å | Aromatic |
| C07 | C04 | sing | 1.41Å | 1.48Å | Aromatic |
| C07 | C11 | sing | 1.51Å | 1.58Å | |
| C04 | C03 | doub | 1.41Å | 1.43Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C11 | sing | 1.53Å | 1.57Å | |
| C11 | C15 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | C10 | sing | 1.48Å | 1.61Å | |
| C10 | O19 | doub | 1.21Å | 1.23Å | |
| C10 | O18 | sing | 1.35Å | 1.23Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C22 | C21 | 118.7° | 119.9° |
| F23 | C22 | C24 | 119.9° | 120.0° |
| C21 | C22 | C24 | 121.4° | 120.1° |
| C22 | C21 | C20 | 118.0° | 120.0° |
| C22 | C21 | H19 | 121.0° | 120.0° |
| C22 | C24 | C25 | 119.2° | 120.0° |
| C22 | C24 | H20 | 120.4° | 120.0° |
| C21 | C20 | C26 | 124.5° | 120.0° |
| C21 | C20 | H18 | 117.7° | 120.0° |
| C20 | C21 | H19 | 121.0° | 120.0° |
| C24 | C25 | C26 | 122.5° | 120.0° |
| C25 | C24 | H20 | 120.4° | 120.0° |
| C24 | C25 | H21 | 118.7° | 120.0° |
| C20 | C26 | C25 | 114.3° | 119.9° |
| C20 | C26 | N12 | 119.8° | 120.1° |
| C26 | C20 | H18 | 117.8° | 120.0° |
| C25 | C26 | N12 | 125.7° | 120.0° |
| C26 | C25 | H21 | 118.7° | 120.0° |
| C26 | N12 | N08 | 123.8° | 125.9° |
| C26 | N12 | C06 | 130.3° | 125.9° |
| N08 | N12 | C06 | 105.7° | 108.1° |
| N12 | N08 | C07 | 112.5° | 109.8° |
| N12 | C06 | N05 | 129.9° | 133.5° |
| N12 | C06 | C04 | 108.2° | 106.3° |
| C13 | C09 | C01 | 115.8° | 109.5° |
| C13 | C09 | H2 | 107.8° | 109.4° |
| C13 | C09 | H3 | 107.9° | 109.5° |
| C09 | C13 | H5 | 109.5° | 109.5° |
| C09 | C13 | H6 | 109.5° | 109.4° |
| C09 | C13 | H7 | 109.5° | 109.5° |
| N08 | C07 | C04 | 108.7° | 108.6° |
| N08 | C07 | C11 | 124.8° | 125.7° |
| C06 | N05 | C01 | 120.7° | 122.0° |
| N05 | C06 | C04 | 121.9° | 120.3° |
| N05 | C01 | C09 | 118.8° | 119.1° |
| N05 | C01 | C02 | 119.5° | 121.7° |
| C06 | C04 | C07 | 105.0° | 107.2° |
| C06 | C04 | C03 | 117.8° | 118.9° |
| C09 | C01 | C02 | 121.7° | 119.2° |
| C01 | C09 | H2 | 107.9° | 109.5° |
| C01 | C09 | H3 | 107.9° | 109.4° |
| C01 | C02 | C03 | 121.4° | 119.4° |
| C01 | C02 | H1 | 119.3° | 120.3° |
| C04 | C07 | C11 | 126.5° | 125.7° |
| C07 | C04 | C03 | 137.2° | 134.0° |
| C07 | C11 | C14 | 113.2° | 109.5° |
| C07 | C11 | C15 | 112.8° | 109.4° |
| C07 | C11 | H4 | 106.0° | 109.5° |
| C04 | C03 | C02 | 118.7° | 117.8° |
| C04 | C03 | C10 | 121.0° | 121.1° |
| C17 | C15 | C11 | 110.4° | 109.5° |
| C17 | C15 | H10 | 109.3° | 109.5° |
| C17 | C15 | H11 | 109.2° | 109.5° |
| C15 | C17 | H15 | 109.5° | 109.5° |
| C15 | C17 | H16 | 109.5° | 109.4° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C16 | C14 | C11 | 114.3° | 109.5° |
| C16 | C14 | H8 | 108.3° | 109.5° |
| C16 | C14 | H9 | 108.3° | 109.4° |
| C14 | C16 | H12 | 109.5° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.4° |
| C14 | C16 | H14 | 109.5° | 109.4° |
| C14 | C11 | C15 | 111.6° | 109.5° |
| C14 | C11 | H4 | 106.1° | 109.5° |
| C11 | C14 | H8 | 108.3° | 109.5° |
| C11 | C14 | H9 | 108.2° | 109.5° |
| C15 | C11 | H4 | 106.5° | 109.5° |
| C11 | C15 | H10 | 109.2° | 109.4° |
| C11 | C15 | H11 | 109.2° | 109.5° |
| C02 | C03 | C10 | 120.3° | 121.1° |
| C03 | C02 | H1 | 119.3° | 120.3° |
| C03 | C10 | O19 | 118.3° | 120.0° |
| C03 | C10 | O18 | 115.5° | 120.0° |
| O19 | C10 | O18 | 126.1° | 120.0° |
| C10 | O18 | H22 | 109.5° | 117.0° |
| H2 | C09 | H3 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H15 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C22 | C21 | C24 | 179.7° | 180.0° |
| F23 | C22 | C21 | C20 | 179.7° | 180.0° |
| F23 | C22 | C24 | C25 | 179.8° | 179.9° |
| F23 | C22 | C21 | H19 | 0.3° | 0.0° |
| F23 | C22 | C24 | H20 | 0.2° | 0.0° |
| C22 | C21 | C20 | H19 | 180.0° | 180.0° |
| C21 | C22 | C24 | C25 | 0.1° | 0.1° |
| C22 | C21 | C20 | C26 | 1.5° | 0.0° |
| C22 | C21 | C20 | H18 | 178.5° | 179.8° |
| C21 | C22 | C24 | H20 | 179.9° | 180.0° |
| C24 | C22 | C21 | C20 | 0.1° | 0.1° |
| C22 | C24 | C25 | H20 | 180.0° | 179.9° |
| C22 | C24 | C25 | C26 | 1.3° | 0.1° |
| C24 | C22 | C21 | H19 | 180.0° | 180.0° |
| C22 | C24 | C25 | H21 | 178.7° | 179.9° |
| C21 | C20 | C26 | H18 | 180.0° | 179.7° |
| C21 | C20 | C26 | C25 | 2.8° | 0.0° |
| C21 | C20 | C26 | N12 | 178.0° | 179.7° |
| C24 | C25 | C26 | C20 | 2.6° | 0.1° |
| C24 | C25 | C26 | H21 | 180.0° | 180.0° |
| C24 | C25 | C26 | N12 | 177.5° | 179.7° |
| C20 | C26 | C25 | N12 | 174.9° | 179.8° |
| C20 | C26 | N12 | N08 | 34.1° | 35.0° |
| C20 | C26 | N12 | C06 | 140.5° | 144.9° |
| C26 | C20 | C21 | H19 | 178.5° | 180.0° |
| C20 | C26 | C25 | H21 | 177.4° | 179.9° |
| C25 | C26 | N12 | N08 | 151.3° | 144.8° |
| C25 | C26 | N12 | C06 | 34.1° | 35.3° |
| C25 | C26 | C20 | H18 | 177.2° | 179.8° |
| C26 | C25 | C24 | H20 | 178.7° | 180.0° |
| C26 | N12 | N08 | C06 | 175.7° | 179.9° |
| C26 | N12 | N08 | C07 | 177.3° | 180.0° |
| C26 | N12 | C06 | N05 | 4.2° | 0.2° |
| C26 | N12 | C06 | C04 | 176.8° | 180.0° |
| N12 | C26 | C20 | H18 | 2.0° | 0.0° |
| N12 | C26 | C25 | H21 | 2.5° | 0.3° |
| N08 | N12 | C06 | N05 | 179.6° | 179.8° |
| N08 | N12 | C06 | C04 | 1.5° | 0.1° |
| N12 | N08 | C07 | C04 | 1.0° | 0.0° |
| N12 | N08 | C07 | C11 | 178.2° | 180.0° |
| C06 | N12 | N08 | C07 | 1.5° | 0.0° |
| N12 | C06 | N05 | C04 | 178.8° | 179.8° |
| N12 | C06 | N05 | C01 | 178.8° | 179.7° |
| N12 | C06 | C04 | C07 | 0.9° | 0.1° |
| N12 | C06 | C04 | C03 | 178.8° | 180.0° |
| C13 | C09 | C01 | N05 | 50.4° | 54.7° |
| C13 | C09 | C01 | H2 | 120.9° | 120.0° |
| C13 | C09 | C01 | H3 | 121.0° | 120.0° |
| C13 | C09 | C01 | C02 | 129.3° | 125.0° |
| C13 | C09 | H2 | H3 | 117.1° | 120.0° |
| C09 | C13 | H5 | H6 | 120.0° | 120.0° |
| C09 | C13 | H5 | H7 | 120.0° | 120.0° |
| C09 | C13 | H6 | H7 | 120.0° | 120.0° |
| N08 | C07 | C04 | C06 | 0.0° | 0.0° |
| N08 | C07 | C04 | C11 | 179.2° | 180.0° |
| N08 | C07 | C04 | C03 | 179.7° | 180.0° |
| N08 | C07 | C11 | C14 | 28.6° | 69.3° |
| N08 | C07 | C11 | C15 | 99.3° | 50.7° |
| N08 | C07 | C11 | H4 | 144.6° | 170.7° |
| C06 | N05 | C01 | C09 | 179.9° | 179.8° |
| C06 | N05 | C01 | C02 | 0.2° | 0.5° |
| N05 | C06 | C04 | C07 | 180.0° | 179.8° |
| N05 | C06 | C04 | C03 | 0.2° | 0.2° |
| C01 | N05 | C06 | C04 | 0.1° | 0.5° |
| N05 | C01 | C09 | C02 | 179.7° | 179.7° |
| N05 | C01 | C02 | C03 | 0.6° | 0.3° |
| N05 | C01 | C02 | H1 | 179.4° | 179.7° |
| N05 | C01 | C09 | H2 | 171.3° | 65.2° |
| N05 | C01 | C09 | H3 | 70.6° | 174.7° |
| C06 | C04 | C07 | C03 | 179.7° | 180.0° |
| C06 | C04 | C07 | C11 | 179.2° | 180.0° |
| C06 | C04 | C03 | C02 | 0.6° | 0.0° |
| C06 | C04 | C03 | C10 | 178.5° | 179.9° |
| C09 | C01 | C02 | C03 | 179.7° | 180.0° |
| C09 | C01 | C02 | H1 | 0.3° | 0.0° |
| C01 | C09 | H2 | H3 | 117.1° | 120.0° |
| C01 | C09 | C13 | H5 | 180.0° | 180.0° |
| C01 | C09 | C13 | H6 | 60.0° | 60.0° |
| C01 | C09 | C13 | H7 | 60.0° | 60.0° |
| C01 | C02 | C03 | C04 | 0.8° | 0.0° |
| C01 | C02 | C03 | H1 | 180.0° | 180.0° |
| C01 | C02 | C03 | C10 | 178.7° | 180.0° |
| C02 | C01 | C09 | H2 | 8.4° | 115.0° |
| C02 | C01 | C09 | H3 | 109.7° | 5.0° |
| C04 | C07 | C11 | C14 | 150.4° | 110.7° |
| C04 | C07 | C11 | C15 | 81.7° | 129.3° |
| C07 | C04 | C03 | C02 | 179.8° | 180.0° |
| C07 | C04 | C03 | C10 | 1.8° | 0.0° |
| C04 | C07 | C11 | H4 | 34.5° | 9.3° |
| C11 | C07 | C04 | C03 | 0.5° | 0.0° |
| C07 | C11 | C15 | C17 | 15.6° | 65.0° |
| C07 | C11 | C14 | C16 | 52.0° | 175.0° |
| C07 | C11 | C14 | C15 | 128.6° | 120.0° |
| C07 | C11 | C14 | H4 | 115.9° | 120.0° |
| C07 | C11 | C15 | H4 | 115.9° | 120.0° |
| C07 | C11 | C14 | H8 | 172.7° | 55.0° |
| C07 | C11 | C14 | H9 | 68.7° | 65.0° |
| C07 | C11 | C15 | H10 | 135.8° | 175.0° |
| C07 | C11 | C15 | H11 | 104.5° | 55.1° |
| C04 | C03 | C02 | C10 | 178.0° | 180.0° |
| C04 | C03 | C10 | O19 | 55.9° | 53.1° |
| C04 | C03 | C10 | O18 | 122.0° | 126.9° |
| C04 | C03 | C02 | H1 | 179.2° | 180.0° |
| C17 | C15 | C11 | C14 | 113.1° | 175.0° |
| C17 | C15 | C11 | H10 | 120.2° | 120.0° |
| C17 | C15 | C11 | H11 | 120.1° | 120.1° |
| C17 | C15 | C11 | H4 | 131.5° | 55.0° |
| C17 | C15 | H10 | H11 | 119.6° | 120.0° |
| C15 | C17 | H15 | H16 | 120.0° | 119.9° |
| C15 | C17 | H15 | H17 | 120.0° | 120.1° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C16 | C14 | C11 | H8 | 120.7° | 120.0° |
| C16 | C14 | C11 | H9 | 120.7° | 120.0° |
| C16 | C14 | C11 | C15 | 179.4° | 65.0° |
| C16 | C14 | C11 | H4 | 63.9° | 55.0° |
| C16 | C14 | H8 | H9 | 117.8° | 120.0° |
| C14 | C16 | H12 | H13 | 120.0° | 120.0° |
| C14 | C16 | H12 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C14 | C11 | C15 | H4 | 115.3° | 120.0° |
| C11 | C14 | H8 | H9 | 117.8° | 120.0° |
| C14 | C11 | C15 | H10 | 7.0° | 55.0° |
| C14 | C11 | C15 | H11 | 126.7° | 64.9° |
| C11 | C14 | C16 | H12 | 180.0° | 180.0° |
| C11 | C14 | C16 | H13 | 60.0° | 60.0° |
| C11 | C14 | C16 | H14 | 60.0° | 60.0° |
| C15 | C11 | C14 | H8 | 58.7° | 175.0° |
| C15 | C11 | C14 | H9 | 59.9° | 55.0° |
| C11 | C15 | H10 | H11 | 119.6° | 119.9° |
| C11 | C15 | C17 | H15 | 180.0° | 180.0° |
| C11 | C15 | C17 | H16 | 60.0° | 60.0° |
| C11 | C15 | C17 | H17 | 60.0° | 59.9° |
| C02 | C03 | C10 | O19 | 126.2° | 127.0° |
| C02 | C03 | C10 | O18 | 55.9° | 53.0° |
| C03 | C10 | O19 | O18 | 177.6° | 180.0° |
| C10 | C03 | C02 | H1 | 1.3° | 0.0° |
| C03 | C10 | O18 | H22 | 177.7° | 180.0° |
| O19 | C10 | O18 | H22 | 0.0° | 0.0° |
| H2 | C09 | C13 | H5 | 59.1° | 60.0° |
| H2 | C09 | C13 | H6 | 60.9° | 179.9° |
| H2 | C09 | C13 | H7 | 179.1° | 60.0° |
| H3 | C09 | C13 | H5 | 59.0° | 60.0° |
| H3 | C09 | C13 | H6 | 179.0° | 60.0° |
| H3 | C09 | C13 | H7 | 60.9° | 179.9° |
| H4 | C11 | C14 | H8 | 56.8° | 65.0° |
| H4 | C11 | C14 | H9 | 175.4° | 175.0° |
| H4 | C11 | C15 | H10 | 108.3° | 65.0° |
| H4 | C11 | C15 | H11 | 11.4° | 175.1° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H8 | C14 | C16 | H12 | 59.3° | 60.0° |
| H8 | C14 | C16 | H13 | 60.7° | 180.0° |
| H8 | C14 | C16 | H14 | 179.3° | 60.0° |
| H9 | C14 | C16 | H12 | 59.3° | 60.0° |
| H9 | C14 | C16 | H13 | 179.3° | 60.0° |
| H9 | C14 | C16 | H14 | 60.7° | 180.0° |
| H10 | C15 | C17 | H15 | 59.8° | 60.1° |
| H10 | C15 | C17 | H16 | 60.2° | 180.0° |
| H10 | C15 | C17 | H17 | 179.8° | 60.0° |
| H11 | C15 | C17 | H15 | 59.9° | 59.9° |
| H11 | C15 | C17 | H16 | 179.9° | 60.0° |
| H11 | C15 | C17 | H17 | 60.1° | 180.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.1° |
| H15 | C17 | H16 | H17 | 120.0° | 120.1° |
| H18 | C20 | C21 | H19 | 1.5° | 0.3° |
| H20 | C24 | C25 | H21 | 1.3° | 0.0° |
