5T5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C22 | sing | 1.74Å | 1.78Å | |
| C22 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| N13 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C6 | sing | 1.47Å | 1.49Å | |
| N17 | C7 | sing | 1.37Å | 1.34Å | |
| C2 | C6 | sing | 1.51Å | 1.49Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | O15 | doub | 1.21Å | 1.22Å | |
| C7 | N5 | doub | 1.30Å | 1.27Å | |
| C7 | O10 | sing | 1.35Å | 1.44Å | |
| N5 | C3 | sing | 1.48Å | 1.47Å | |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| O10 | C9 | sing | 1.44Å | 1.43Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C9 | sing | 1.55Å | 1.54Å | |
| C3 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | O16 | sing | 1.36Å | 1.38Å | |
| O16 | C12 | sing | 1.43Å | 1.44Å | |
| F23 | C12 | sing | 1.40Å | 1.37Å | |
| F24 | C12 | sing | 1.40Å | 1.37Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| N17 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C22 | C28 | 119.2° | 120.4° |
| CL | C22 | C14 | 120.7° | 120.3° |
| C28 | C22 | C14 | 120.2° | 119.3° |
| C22 | C28 | N13 | 119.0° | 121.2° |
| C22 | C28 | H5 | 120.5° | 119.4° |
| C22 | C14 | C8 | 118.8° | 118.2° |
| C22 | C14 | H6 | 120.6° | 120.9° |
| C28 | N13 | C20 | 122.8° | 121.9° |
| N13 | C28 | H5 | 120.5° | 119.4° |
| C14 | C8 | C20 | 119.3° | 118.9° |
| C14 | C8 | C6 | 121.8° | 120.5° |
| C8 | C14 | H6 | 120.6° | 120.9° |
| N13 | C20 | C8 | 119.9° | 120.5° |
| N13 | C20 | H3 | 120.1° | 119.7° |
| C20 | C8 | C6 | 118.8° | 120.6° |
| C8 | C20 | H3 | 120.0° | 119.8° |
| C8 | C6 | C2 | 118.7° | 120.0° |
| C8 | C6 | O15 | 119.2° | 120.1° |
| N17 | C7 | N5 | 126.3° | 123.1° |
| N17 | C7 | O10 | 123.1° | 123.1° |
| C7 | N17 | H11 | 120.0° | 120.0° |
| C7 | N17 | H12 | 120.0° | 120.0° |
| C6 | C2 | C4 | 113.9° | 117.5° |
| C6 | C2 | C1 | 108.7° | 117.5° |
| C2 | C6 | O15 | 122.1° | 120.0° |
| C6 | C2 | H7 | 120.2° | 115.6° |
| C4 | C2 | C1 | 60.4° | 60.0° |
| C2 | C4 | C1 | 59.8° | 60.0° |
| C2 | C4 | H1 | 120.0° | 117.5° |
| C2 | C4 | H2 | 120.0° | 117.5° |
| C4 | C2 | H7 | 119.5° | 117.5° |
| C2 | C1 | C4 | 59.8° | 60.0° |
| C2 | C1 | C3 | 114.0° | 117.5° |
| C1 | C2 | H7 | 119.5° | 117.5° |
| C2 | C1 | H8 | 118.5° | 117.5° |
| N5 | C7 | O10 | 110.6° | 113.8° |
| C7 | N5 | C3 | 112.1° | 108.5° |
| C7 | O10 | C9 | 109.4° | 107.8° |
| N5 | C3 | C1 | 116.1° | 111.0° |
| N5 | C3 | C9 | 104.1° | 102.0° |
| N5 | C3 | C11 | 109.1° | 110.9° |
| C4 | C1 | C3 | 115.0° | 117.5° |
| C1 | C4 | H1 | 120.0° | 117.5° |
| C1 | C4 | H2 | 120.0° | 117.5° |
| C4 | C1 | H8 | 118.3° | 117.5° |
| O10 | C9 | C3 | 103.4° | 101.4° |
| O10 | C9 | H9 | 111.0° | 111.1° |
| O10 | C9 | H10 | 111.0° | 111.1° |
| C1 | C3 | C9 | 110.6° | 111.0° |
| C1 | C3 | C11 | 108.7° | 110.8° |
| C3 | C1 | H8 | 118.2° | 115.5° |
| C9 | C3 | C11 | 107.9° | 110.9° |
| C3 | C9 | H9 | 110.9° | 111.0° |
| C3 | C9 | H10 | 111.0° | 111.1° |
| C3 | C11 | C18 | 119.3° | 119.9° |
| C3 | C11 | C19 | 121.9° | 119.9° |
| C18 | C11 | C19 | 118.8° | 120.1° |
| C11 | C18 | C25 | 120.4° | 120.0° |
| C11 | C18 | H15 | 119.8° | 120.0° |
| C11 | C19 | C26 | 121.1° | 120.0° |
| C11 | C19 | H13 | 119.4° | 120.0° |
| C18 | C25 | C21 | 120.3° | 120.0° |
| C18 | C25 | H14 | 119.8° | 120.1° |
| C25 | C18 | H15 | 119.8° | 120.0° |
| C19 | C26 | C21 | 119.8° | 120.0° |
| C19 | C26 | H4 | 120.1° | 120.1° |
| C26 | C19 | H13 | 119.4° | 120.0° |
| C25 | C21 | C26 | 119.6° | 119.8° |
| C25 | C21 | O16 | 120.8° | 120.1° |
| C21 | C25 | H14 | 119.8° | 120.0° |
| C26 | C21 | O16 | 119.6° | 120.1° |
| C21 | C26 | H4 | 120.1° | 120.0° |
| C21 | O16 | C12 | 123.6° | 117.0° |
| O16 | C12 | F23 | 110.0° | 109.5° |
| O16 | C12 | F24 | 112.6° | 109.5° |
| O16 | C12 | H16 | 107.3° | 109.4° |
| F23 | C12 | F24 | 110.1° | 109.5° |
| F23 | C12 | H16 | 108.3° | 109.5° |
| F24 | C12 | H16 | 108.3° | 109.5° |
| H1 | C4 | H2 | 109.5° | 115.6° |
| H9 | C9 | H10 | 109.5° | 110.9° |
| H11 | N17 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C22 | C28 | C14 | 178.9° | 179.2° |
| CL | C22 | C28 | N13 | 179.9° | 180.0° |
| CL | C22 | C14 | C8 | 179.6° | 179.7° |
| CL | C22 | C28 | H5 | 0.1° | 0.8° |
| CL | C22 | C14 | H6 | 0.4° | 0.7° |
| C22 | C28 | N13 | H5 | 180.0° | 179.2° |
| C28 | C22 | C14 | C8 | 0.7° | 0.5° |
| C22 | C28 | N13 | C20 | 0.7° | 0.6° |
| C28 | C22 | C14 | H6 | 179.3° | 180.0° |
| C14 | C22 | C28 | N13 | 1.2° | 0.8° |
| C22 | C14 | C8 | H6 | 180.0° | 179.5° |
| C22 | C14 | C8 | C20 | 0.4° | 0.0° |
| C22 | C14 | C8 | C6 | 179.4° | 179.7° |
| C14 | C22 | C28 | H5 | 178.8° | 180.0° |
| C28 | N13 | C20 | C8 | 0.4° | 0.0° |
| C28 | N13 | C20 | H3 | 179.6° | 180.0° |
| C14 | C8 | C20 | N13 | 1.0° | 0.3° |
| C14 | C8 | C20 | C6 | 179.0° | 179.7° |
| C14 | C8 | C6 | C2 | 13.5° | 179.7° |
| C14 | C8 | C6 | O15 | 166.4° | 0.3° |
| C14 | C8 | C20 | H3 | 179.0° | 179.7° |
| N13 | C20 | C8 | H3 | 180.0° | 180.0° |
| N13 | C20 | C8 | C6 | 180.0° | 180.0° |
| C20 | N13 | C28 | H5 | 179.3° | 179.8° |
| C20 | C8 | C6 | C2 | 167.6° | 0.0° |
| C20 | C8 | C6 | O15 | 12.5° | 180.0° |
| C20 | C8 | C14 | H6 | 179.6° | 179.5° |
| C8 | C6 | C2 | O15 | 179.9° | 180.0° |
| C8 | C6 | C2 | C4 | 147.6° | 136.4° |
| C8 | C6 | C2 | C1 | 147.2° | 155.0° |
| C6 | C8 | C20 | H3 | 0.0° | 0.0° |
| C6 | C8 | C14 | H6 | 0.7° | 0.2° |
| C8 | C6 | C2 | H7 | 4.2° | 9.4° |
| N17 | C7 | N5 | O10 | 179.4° | 179.8° |
| N17 | C7 | N5 | C3 | 172.0° | 179.8° |
| N17 | C7 | O10 | C9 | 172.3° | 163.0° |
| C7 | N17 | H11 | H12 | 180.0° | 180.0° |
| C6 | C2 | C4 | C1 | 98.7° | 107.4° |
| C6 | C2 | C4 | H7 | 152.0° | 145.1° |
| C6 | C2 | C1 | H7 | 143.3° | 145.0° |
| C6 | C2 | C1 | C3 | 146.5° | 145.0° |
| C6 | C2 | C4 | H1 | 10.7° | 0.1° |
| C6 | C2 | C4 | H2 | 151.8° | 145.1° |
| C6 | C2 | C1 | H8 | 0.5° | 0.0° |
| C4 | C2 | C1 | H7 | 109.3° | 107.5° |
| C4 | C2 | C6 | O15 | 32.3° | 43.6° |
| C2 | C4 | C1 | H1 | 109.4° | 107.5° |
| C2 | C4 | C1 | H2 | 109.4° | 107.5° |
| C4 | C2 | C1 | C3 | 106.1° | 107.5° |
| C2 | C4 | H1 | H2 | 144.9° | 145.7° |
| C4 | C2 | C1 | H8 | 107.9° | 107.5° |
| C1 | C2 | C6 | O15 | 32.9° | 25.0° |
| C2 | C1 | C3 | N5 | 23.9° | 53.3° |
| C2 | C1 | C3 | H8 | 146.1° | 145.7° |
| C2 | C1 | C3 | C9 | 94.3° | 59.3° |
| C2 | C1 | C3 | C11 | 147.3° | 177.0° |
| O15 | C6 | C2 | H7 | 176.0° | 170.6° |
| N5 | C7 | O10 | C9 | 7.1° | 17.3° |
| C7 | N5 | C3 | C1 | 126.6° | 133.3° |
| C7 | N5 | C3 | C9 | 4.8° | 15.0° |
| C7 | N5 | C3 | C11 | 110.2° | 103.1° |
| N5 | C7 | N17 | H11 | 0.0° | 0.1° |
| N5 | C7 | N17 | H12 | 180.0° | 180.0° |
| O10 | C7 | N5 | C3 | 7.3° | 0.4° |
| C7 | O10 | C9 | C3 | 3.6° | 24.8° |
| C7 | O10 | C9 | H9 | 115.4° | 93.1° |
| C7 | O10 | C9 | H10 | 122.7° | 142.9° |
| O10 | C7 | N17 | H11 | 179.3° | 179.7° |
| O10 | C7 | N17 | H12 | 0.7° | 0.3° |
| N5 | C3 | C1 | C4 | 42.5° | 15.3° |
| N5 | C3 | C9 | O10 | 0.3° | 23.4° |
| N5 | C3 | C1 | C9 | 118.3° | 112.6° |
| N5 | C3 | C1 | C11 | 123.4° | 123.7° |
| N5 | C3 | C9 | C11 | 115.8° | 118.2° |
| N5 | C3 | C11 | C18 | 34.1° | 26.3° |
| N5 | C3 | C11 | C19 | 147.0° | 154.0° |
| N5 | C3 | C1 | H8 | 170.1° | 161.0° |
| N5 | C3 | C9 | H9 | 119.3° | 94.6° |
| N5 | C3 | C9 | H10 | 118.7° | 141.6° |
| C4 | C1 | C3 | H8 | 147.4° | 145.7° |
| C4 | C1 | C3 | C9 | 160.8° | 127.9° |
| C4 | C1 | C3 | C11 | 80.9° | 108.4° |
| C1 | C4 | H1 | H2 | 144.9° | 145.7° |
| O10 | C9 | C3 | C1 | 125.7° | 141.6° |
| O10 | C9 | C3 | H9 | 119.0° | 118.0° |
| O10 | C9 | C3 | H10 | 119.1° | 118.1° |
| O10 | C9 | C3 | C11 | 115.5° | 94.7° |
| O10 | C9 | H9 | H10 | 122.8° | 124.1° |
| C1 | C3 | C9 | C11 | 118.8° | 123.6° |
| C1 | C3 | C11 | C18 | 161.6° | 150.0° |
| C1 | C3 | C11 | C19 | 19.4° | 30.3° |
| C3 | C1 | C4 | H1 | 146.3° | 145.1° |
| C3 | C1 | C4 | H2 | 5.0° | 0.0° |
| C3 | C1 | C2 | H7 | 3.2° | 0.0° |
| C1 | C3 | C9 | H9 | 115.2° | 23.6° |
| C1 | C3 | C9 | H10 | 6.7° | 100.2° |
| C9 | C3 | C11 | C18 | 78.4° | 86.3° |
| C9 | C3 | C11 | C19 | 100.6° | 93.4° |
| C9 | C3 | C1 | H8 | 51.8° | 86.4° |
| C3 | C9 | H9 | H10 | 122.8° | 123.9° |
| C3 | C11 | C18 | C19 | 179.0° | 179.7° |
| C3 | C11 | C18 | C25 | 179.4° | 180.0° |
| C3 | C11 | C19 | C26 | 179.6° | 180.0° |
| C11 | C3 | C1 | H8 | 66.6° | 37.3° |
| C11 | C3 | C9 | H9 | 3.5° | 147.3° |
| C11 | C3 | C9 | H10 | 125.4° | 23.4° |
| C3 | C11 | C19 | H13 | 0.4° | 0.1° |
| C3 | C11 | C18 | H15 | 0.7° | 0.3° |
| C11 | C18 | C25 | H15 | 180.0° | 179.7° |
| C18 | C11 | C19 | C26 | 0.7° | 0.3° |
| C11 | C18 | C25 | C21 | 0.2° | 0.0° |
| C18 | C11 | C19 | H13 | 179.3° | 179.8° |
| C11 | C18 | C25 | H14 | 179.8° | 180.0° |
| C19 | C11 | C18 | C25 | 0.4° | 0.3° |
| C11 | C19 | C26 | H13 | 180.0° | 179.9° |
| C11 | C19 | C26 | C21 | 0.4° | 0.0° |
| C11 | C19 | C26 | H4 | 179.6° | 179.9° |
| C19 | C11 | C18 | H15 | 179.6° | 180.0° |
| C18 | C25 | C21 | H14 | 180.0° | 180.0° |
| C18 | C25 | C21 | C26 | 0.5° | 0.3° |
| C18 | C25 | C21 | O16 | 179.4° | 180.0° |
| C19 | C26 | C21 | C25 | 0.2° | 0.3° |
| C19 | C26 | C21 | H4 | 180.0° | 179.9° |
| C19 | C26 | C21 | O16 | 179.7° | 180.0° |
| C25 | C21 | C26 | O16 | 179.9° | 179.7° |
| C25 | C21 | O16 | C12 | 35.6° | 0.3° |
| C25 | C21 | C26 | H4 | 179.8° | 179.8° |
| C21 | C25 | C18 | H15 | 179.8° | 179.7° |
| C26 | C21 | O16 | C12 | 144.6° | 180.0° |
| C21 | C26 | C19 | H13 | 179.6° | 179.9° |
| C26 | C21 | C25 | H14 | 179.6° | 179.7° |
| C21 | O16 | C12 | F23 | 103.6° | 60.1° |
| C21 | O16 | C12 | F24 | 19.7° | 60.0° |
| O16 | C21 | C26 | H4 | 0.3° | 0.1° |
| O16 | C21 | C25 | H14 | 0.6° | 0.0° |
| C21 | O16 | C12 | H16 | 138.8° | 180.0° |
| O16 | C12 | F23 | F24 | 124.8° | 120.0° |
| O16 | C12 | F23 | H16 | 117.0° | 119.9° |
| O16 | C12 | F24 | H16 | 118.5° | 120.0° |
| F23 | C12 | F24 | H16 | 118.2° | 120.0° |
| H1 | C4 | C2 | H7 | 141.3° | 145.1° |
| H1 | C4 | C1 | H8 | 1.1° | 0.1° |
| H2 | C4 | C2 | H7 | 0.1° | 0.1° |
| H2 | C4 | C1 | H8 | 142.4° | 145.0° |
| H4 | C26 | C19 | H13 | 0.4° | 0.0° |
| H7 | C2 | C1 | H8 | 142.8° | 144.9° |
| H14 | C25 | C18 | H15 | 0.2° | 0.3° |
