5T7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C24 | sing | 1.74Å | 1.73Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.37Å | 1.38Å | Aromatic |
| C25 | N26 | sing | 1.31Å | 1.30Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| N26 | C21 | doub | 1.34Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.42Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | N12 | sing | 1.40Å | 1.39Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| N12 | C10 | sing | 1.35Å | 1.33Å | |
| N16 | C5 | sing | 1.37Å | 1.37Å | |
| C10 | C7 | sing | 1.51Å | 1.50Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | N6 | doub | 1.29Å | 1.29Å | |
| C5 | O4 | sing | 1.34Å | 1.34Å | |
| N6 | C1 | sing | 1.46Å | 1.47Å | |
| O4 | C3 | sing | 1.43Å | 1.45Å | |
| C9 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C13 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C2 | F15 | sing | 1.40Å | 1.40Å | |
| C2 | F14 | sing | 1.40Å | 1.40Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| N12 | H4 | sing | 0.97Å | 1.00Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C24 | C25 | 118.0° | 120.0° |
| CL2 | C24 | C23 | 121.2° | 120.0° |
| C25 | C24 | C23 | 120.7° | 119.9° |
| C24 | C25 | N26 | 121.2° | 121.7° |
| C24 | C25 | H17 | 119.4° | 119.2° |
| C24 | C23 | C22 | 117.5° | 118.1° |
| C24 | C23 | H16 | 121.2° | 120.9° |
| C25 | N26 | C21 | 121.4° | 121.4° |
| N26 | C25 | H17 | 119.4° | 119.1° |
| C23 | C22 | C21 | 118.5° | 119.0° |
| C23 | C22 | C20 | 122.3° | 121.3° |
| C22 | C23 | H16 | 121.3° | 121.0° |
| N26 | C21 | C22 | 120.5° | 119.9° |
| N26 | C21 | C17 | 118.7° | 121.1° |
| C21 | C22 | C20 | 119.1° | 119.7° |
| C22 | C21 | C17 | 120.8° | 119.0° |
| C22 | C20 | C19 | 119.0° | 119.9° |
| C22 | C20 | H8 | 120.5° | 120.0° |
| C21 | C17 | N12 | 116.0° | 120.2° |
| C21 | C17 | C18 | 119.6° | 119.5° |
| C20 | C19 | C18 | 122.3° | 121.0° |
| C19 | C20 | H8 | 120.5° | 120.1° |
| C20 | C19 | H15 | 118.8° | 119.5° |
| N12 | C17 | C18 | 124.3° | 120.3° |
| C17 | N12 | C10 | 129.2° | 120.0° |
| C17 | N12 | H4 | 115.4° | 120.1° |
| C17 | C18 | C19 | 119.2° | 120.8° |
| C17 | C18 | H14 | 120.4° | 119.5° |
| C19 | C18 | H14 | 120.4° | 119.6° |
| C18 | C19 | H15 | 118.9° | 119.5° |
| N12 | C10 | C7 | 114.9° | 120.0° |
| N12 | C10 | O11 | 122.7° | 120.0° |
| C10 | N12 | H4 | 115.4° | 120.0° |
| N16 | C5 | N6 | 117.9° | 118.1° |
| N16 | C5 | O4 | 116.1° | 118.1° |
| C5 | N16 | H12 | 120.0° | 120.0° |
| C5 | N16 | H13 | 120.0° | 120.0° |
| C7 | C10 | O11 | 122.4° | 120.0° |
| C10 | C7 | C8 | 115.7° | 117.5° |
| C10 | C7 | C9 | 120.8° | 117.5° |
| C10 | C7 | H1 | 116.3° | 115.6° |
| C8 | C7 | C9 | 60.3° | 60.0° |
| C7 | C8 | C9 | 59.5° | 60.0° |
| C8 | C7 | H1 | 115.8° | 117.5° |
| C7 | C8 | H2 | 120.1° | 117.5° |
| C7 | C8 | H3 | 120.1° | 117.5° |
| C7 | C9 | C8 | 60.2° | 60.0° |
| C7 | C9 | C1 | 119.7° | 117.5° |
| C9 | C7 | H1 | 115.9° | 117.5° |
| C7 | C9 | H11 | 115.9° | 117.5° |
| C8 | C9 | C1 | 118.3° | 117.5° |
| C9 | C8 | H2 | 120.1° | 117.5° |
| C9 | C8 | H3 | 120.1° | 117.5° |
| C8 | C9 | H11 | 115.7° | 117.5° |
| N6 | C5 | O4 | 126.0° | 123.8° |
| C5 | N6 | C1 | 122.7° | 123.3° |
| C5 | O4 | C3 | 115.1° | 117.4° |
| N6 | C1 | C9 | 111.6° | 109.4° |
| N6 | C1 | C13 | 108.7° | 109.4° |
| N6 | C1 | C2 | 106.5° | 109.8° |
| O4 | C3 | C2 | 104.8° | 107.9° |
| O4 | C3 | H9 | 110.6° | 109.8° |
| O4 | C3 | H10 | 110.6° | 109.8° |
| C9 | C1 | C13 | 108.6° | 109.4° |
| C9 | C1 | C2 | 110.9° | 109.5° |
| C1 | C9 | H11 | 115.7° | 115.6° |
| C13 | C1 | C2 | 110.5° | 109.4° |
| C1 | C13 | H5 | 109.5° | 109.5° |
| C1 | C13 | H6 | 109.5° | 109.5° |
| C1 | C13 | H7 | 109.5° | 109.4° |
| C1 | C2 | C3 | 109.1° | 108.2° |
| C1 | C2 | F15 | 109.3° | 109.8° |
| C1 | C2 | F14 | 109.8° | 109.7° |
| C3 | C2 | F15 | 112.2° | 109.7° |
| C3 | C2 | F14 | 108.4° | 109.8° |
| C2 | C3 | H9 | 110.6° | 109.8° |
| C2 | C3 | H10 | 110.6° | 109.8° |
| F15 | C2 | F14 | 108.1° | 109.7° |
| H2 | C8 | H3 | 109.4° | 115.6° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.4° | 109.8° |
| H12 | N16 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C24 | C25 | C23 | 178.3° | 180.0° |
| CL2 | C24 | C25 | N26 | 179.3° | 180.0° |
| CL2 | C24 | C23 | C22 | 178.1° | 180.0° |
| CL2 | C24 | C23 | H16 | 1.9° | 0.0° |
| CL2 | C24 | C25 | H17 | 0.7° | 0.1° |
| C24 | C25 | N26 | H17 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | N26 | C21 | 1.9° | 0.1° |
| C25 | C24 | C23 | H16 | 179.9° | 179.9° |
| C23 | C24 | C25 | N26 | 1.0° | 0.0° |
| C24 | C23 | C22 | H16 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | C20 | 179.9° | 180.0° |
| C23 | C24 | C25 | H17 | 179.0° | 179.9° |
| C25 | N26 | C21 | C22 | 1.6° | 0.0° |
| C25 | N26 | C21 | C17 | 179.4° | 180.0° |
| C23 | C22 | C21 | N26 | 0.4° | 0.0° |
| C23 | C22 | C21 | C20 | 179.6° | 179.9° |
| C23 | C22 | C21 | C17 | 179.4° | 180.0° |
| C23 | C22 | C20 | C19 | 179.8° | 179.7° |
| C23 | C22 | C20 | H8 | 0.3° | 0.0° |
| N26 | C21 | C22 | C17 | 179.0° | 180.0° |
| N26 | C21 | C22 | C20 | 179.1° | 180.0° |
| N26 | C21 | C17 | N12 | 3.3° | 0.0° |
| N26 | C21 | C17 | C18 | 179.9° | 179.7° |
| C21 | N26 | C25 | H17 | 178.1° | 180.0° |
| C21 | C22 | C20 | C19 | 0.2° | 0.3° |
| C22 | C21 | C17 | N12 | 177.6° | 179.9° |
| C22 | C21 | C17 | C18 | 0.9° | 0.3° |
| C21 | C22 | C20 | H8 | 179.8° | 179.9° |
| C21 | C22 | C23 | H16 | 179.6° | 179.9° |
| C20 | C22 | C21 | C17 | 0.1° | 0.1° |
| C22 | C20 | C19 | H8 | 180.0° | 179.6° |
| C22 | C20 | C19 | C18 | 0.2° | 0.4° |
| C22 | C20 | C19 | H15 | 179.8° | 180.0° |
| C20 | C22 | C23 | H16 | 0.1° | 0.0° |
| C21 | C17 | N12 | C18 | 176.5° | 179.7° |
| C21 | C17 | C18 | C19 | 1.3° | 0.3° |
| C21 | C17 | N12 | C10 | 162.6° | 145.0° |
| C21 | C17 | N12 | H4 | 17.4° | 35.0° |
| C21 | C17 | C18 | H14 | 178.7° | 179.7° |
| C20 | C19 | C18 | C17 | 1.0° | 0.1° |
| C20 | C19 | C18 | H15 | 180.0° | 179.6° |
| C20 | C19 | C18 | H14 | 179.1° | 179.9° |
| N12 | C17 | C18 | C19 | 177.8° | 180.0° |
| C17 | N12 | C10 | H4 | 180.0° | 180.0° |
| C17 | N12 | C10 | C7 | 178.2° | 175.5° |
| C17 | N12 | C10 | O11 | 1.8° | 4.5° |
| N12 | C17 | C18 | H14 | 2.3° | 0.0° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C18 | C17 | N12 | C10 | 20.9° | 34.7° |
| C18 | C17 | N12 | H4 | 159.2° | 145.2° |
| C17 | C18 | C19 | H15 | 179.0° | 179.7° |
| C18 | C19 | C20 | H8 | 179.8° | 180.0° |
| N12 | C10 | C7 | O11 | 180.0° | 180.0° |
| N12 | C10 | C7 | C8 | 137.5° | 111.4° |
| N12 | C10 | C7 | C9 | 153.2° | 180.0° |
| N12 | C10 | C7 | H1 | 3.4° | 34.4° |
| N16 | C5 | N6 | O4 | 178.5° | 179.8° |
| N16 | C5 | N6 | C1 | 179.9° | 179.7° |
| N16 | C5 | O4 | C3 | 163.6° | 164.4° |
| C5 | N16 | H12 | H13 | 180.0° | 179.9° |
| C10 | C7 | C8 | C9 | 112.3° | 107.5° |
| C10 | C7 | C8 | H1 | 141.2° | 145.1° |
| C10 | C7 | C9 | H1 | 149.8° | 144.9° |
| C10 | C7 | C9 | C1 | 148.4° | 145.0° |
| C10 | C7 | C8 | H2 | 3.0° | 0.0° |
| C10 | C7 | C8 | H3 | 138.3° | 145.0° |
| C7 | C10 | N12 | H4 | 1.8° | 4.5° |
| C10 | C7 | C9 | H11 | 2.1° | 0.1° |
| O11 | C10 | C7 | C8 | 42.5° | 68.6° |
| O11 | C10 | C7 | C9 | 26.8° | 0.1° |
| O11 | C10 | C7 | H1 | 176.5° | 145.6° |
| O11 | C10 | N12 | H4 | 178.2° | 175.5° |
| C8 | C7 | C9 | H1 | 106.2° | 107.5° |
| C7 | C8 | C9 | H2 | 109.4° | 107.5° |
| C7 | C8 | C9 | H3 | 109.4° | 107.5° |
| C8 | C7 | C9 | C1 | 107.6° | 107.5° |
| C7 | C8 | H2 | H3 | 145.0° | 145.7° |
| C8 | C7 | C9 | H11 | 106.1° | 107.5° |
| C7 | C9 | C1 | N6 | 18.5° | 64.8° |
| C7 | C9 | C1 | H11 | 146.3° | 145.7° |
| C7 | C9 | C1 | C13 | 138.4° | 55.0° |
| C7 | C9 | C1 | C2 | 100.0° | 174.9° |
| C8 | C9 | C1 | N6 | 51.4° | 133.5° |
| C8 | C9 | C1 | H11 | 143.7° | 145.7° |
| C8 | C9 | C1 | C13 | 68.4° | 13.7° |
| C8 | C9 | C1 | C2 | 170.0° | 106.2° |
| C9 | C8 | H2 | H3 | 145.0° | 145.7° |
| N6 | C5 | O4 | C3 | 14.9° | 15.8° |
| C5 | N6 | C1 | C9 | 103.3° | 138.1° |
| C5 | N6 | C1 | C13 | 136.9° | 102.1° |
| C5 | N6 | C1 | C2 | 17.9° | 18.0° |
| N6 | C5 | N16 | H12 | 0.0° | 0.1° |
| N6 | C5 | N16 | H13 | 180.0° | 180.0° |
| O4 | C5 | N6 | C1 | 1.6° | 0.5° |
| C5 | O4 | C3 | C2 | 47.7° | 45.9° |
| C5 | O4 | C3 | H9 | 167.0° | 165.5° |
| C5 | O4 | C3 | H10 | 71.5° | 73.7° |
| O4 | C5 | N16 | H12 | 178.6° | 179.7° |
| O4 | C5 | N16 | H13 | 1.4° | 0.2° |
| N6 | C1 | C9 | C13 | 119.8° | 119.8° |
| N6 | C1 | C9 | C2 | 118.6° | 120.3° |
| N6 | C1 | C13 | C2 | 116.5° | 120.3° |
| N6 | C1 | C2 | C3 | 51.9° | 46.9° |
| N6 | C1 | C2 | F15 | 71.1° | 166.5° |
| N6 | C1 | C2 | F14 | 170.5° | 72.8° |
| N6 | C1 | C13 | H5 | 180.0° | 179.7° |
| N6 | C1 | C13 | H6 | 60.0° | 59.7° |
| N6 | C1 | C13 | H7 | 60.0° | 60.3° |
| N6 | C1 | C9 | H11 | 164.9° | 80.9° |
| O4 | C3 | C2 | C1 | 67.6° | 61.0° |
| O4 | C3 | C2 | H9 | 119.3° | 119.6° |
| O4 | C3 | C2 | H10 | 119.3° | 119.6° |
| O4 | C3 | C2 | F15 | 53.6° | 179.3° |
| O4 | C3 | C2 | F14 | 172.8° | 58.7° |
| O4 | C3 | H9 | H10 | 122.1° | 120.8° |
| C9 | C1 | C13 | C2 | 121.9° | 119.9° |
| C9 | C1 | C2 | C3 | 69.8° | 166.9° |
| C9 | C1 | C2 | F15 | 167.2° | 73.4° |
| C9 | C1 | C2 | F14 | 48.9° | 47.2° |
| C1 | C9 | C7 | H1 | 1.4° | 0.1° |
| C1 | C9 | C8 | H2 | 140.8° | 145.0° |
| C1 | C9 | C8 | H3 | 0.5° | 0.1° |
| C9 | C1 | C13 | H5 | 58.4° | 59.9° |
| C9 | C1 | C13 | H6 | 61.7° | 60.1° |
| C9 | C1 | C13 | H7 | 178.3° | 179.9° |
| C13 | C1 | C2 | C3 | 169.7° | 73.2° |
| C13 | C1 | C2 | F15 | 46.7° | 46.4° |
| C13 | C1 | C2 | F14 | 71.6° | 167.1° |
| C1 | C13 | H5 | H6 | 120.0° | 120.0° |
| C1 | C13 | H5 | H7 | 120.0° | 120.0° |
| C1 | C13 | H6 | H7 | 120.0° | 119.9° |
| C13 | C1 | C9 | H11 | 75.3° | 159.3° |
| C1 | C2 | C3 | F15 | 121.2° | 119.7° |
| C1 | C2 | C3 | F14 | 119.5° | 119.7° |
| C1 | C2 | F15 | F14 | 119.5° | 120.7° |
| C2 | C1 | C13 | H5 | 63.5° | 60.0° |
| C2 | C1 | C13 | H6 | 176.5° | 180.0° |
| C2 | C1 | C13 | H7 | 56.5° | 60.0° |
| C1 | C2 | C3 | H9 | 173.1° | 179.4° |
| C1 | C2 | C3 | H10 | 51.7° | 58.6° |
| C2 | C1 | C9 | H11 | 46.3° | 39.4° |
| C3 | C2 | F15 | F14 | 119.4° | 120.6° |
| C2 | C3 | H9 | H10 | 122.1° | 120.8° |
| F15 | C2 | C3 | H9 | 65.7° | 59.7° |
| F15 | C2 | C3 | H10 | 172.9° | 61.1° |
| F14 | C2 | C3 | H9 | 53.6° | 60.9° |
| F14 | C2 | C3 | H10 | 67.9° | 178.3° |
| H1 | C7 | C8 | H2 | 144.2° | 145.1° |
| H1 | C7 | C8 | H3 | 2.9° | 0.0° |
| H1 | C7 | C9 | H11 | 147.7° | 145.0° |
| H2 | C8 | C9 | H11 | 2.9° | 0.0° |
| H3 | C8 | C9 | H11 | 144.2° | 145.1° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H8 | C20 | C19 | H15 | 0.2° | 0.4° |
| H14 | C18 | C19 | H15 | 0.9° | 0.3° |
