T6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F31 | C30 | sing | 1.35Å | 1.35Å | |
| C32 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| F25 | C24 | sing | 1.35Å | 1.34Å | |
| O5 | C4 | doub | 1.22Å | 1.23Å | |
| O27 | C26 | doub | 1.22Å | 1.22Å | |
| C30 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C22 | sing | 1.47Å | 1.48Å | |
| C26 | N28 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | N6 | sing | 1.35Å | 1.36Å | |
| C29 | N28 | sing | 1.40Å | 1.40Å | |
| C29 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | N6 | sing | 1.39Å | 1.37Å | |
| C11 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C8 | sing | 1.37Å | 1.38Å | |
| N6 | N7 | sing | 1.40Å | 1.40Å | |
| C35 | CL36 | sing | 1.74Å | 1.70Å | |
| C13 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
| C13 | O14 | sing | 1.35Å | 1.36Å | |
| F20 | C18 | sing | 1.40Å | 1.40Å | |
| C8 | N7 | doub | 1.29Å | 1.29Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| O14 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | F21 | sing | 1.40Å | 1.38Å | |
| C18 | F19 | sing | 1.40Å | 1.38Å | |
| O10 | C9 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C32 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| O10 | H16 | sing | 0.97Å | 0.95Å | |
| N28 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F31 | C30 | C32 | 120.7° | 120.0° |
| F31 | C30 | C29 | 119.8° | 120.1° |
| C30 | C32 | C33 | 119.9° | 120.1° |
| C32 | C30 | C29 | 119.5° | 119.9° |
| C30 | C32 | H11 | 120.1° | 119.9° |
| C32 | C33 | C34 | 121.0° | 120.2° |
| C33 | C32 | H11 | 120.1° | 120.0° |
| C32 | C33 | H12 | 119.5° | 119.9° |
| F25 | C24 | C23 | 119.7° | 120.3° |
| F25 | C24 | C11 | 121.3° | 120.3° |
| O5 | C4 | N3 | 125.8° | 126.3° |
| O5 | C4 | N6 | 127.3° | 126.3° |
| O27 | C26 | C22 | 119.9° | 120.0° |
| O27 | C26 | N28 | 120.3° | 120.0° |
| C30 | C29 | N28 | 117.9° | 120.1° |
| C30 | C29 | C35 | 119.2° | 119.9° |
| C24 | C23 | C22 | 120.7° | 118.4° |
| C23 | C24 | C11 | 119.0° | 119.4° |
| C24 | C23 | H10 | 119.6° | 120.8° |
| C23 | C22 | C26 | 118.8° | 120.5° |
| C23 | C22 | C13 | 116.7° | 119.0° |
| C22 | C23 | H10 | 119.6° | 120.8° |
| C24 | C11 | N6 | 123.1° | 119.5° |
| C24 | C11 | N12 | 120.0° | 121.0° |
| C33 | C34 | C35 | 119.0° | 120.1° |
| C34 | C33 | H12 | 119.5° | 119.9° |
| C33 | C34 | H13 | 120.5° | 120.0° |
| C22 | C26 | N28 | 119.5° | 120.0° |
| C26 | C22 | C13 | 124.2° | 120.5° |
| C26 | N28 | C29 | 125.2° | 120.0° |
| C26 | N28 | H17 | 117.4° | 120.0° |
| C1 | C2 | N3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.4° | 109.4° |
| N3 | C4 | N6 | 107.0° | 107.4° |
| C4 | N3 | C2 | 126.0° | 125.8° |
| C4 | N3 | C8 | 108.0° | 108.4° |
| C4 | N6 | C11 | 128.8° | 126.4° |
| C4 | N6 | N7 | 107.5° | 107.3° |
| N28 | C29 | C35 | 122.7° | 120.1° |
| C29 | N28 | H17 | 117.4° | 120.0° |
| C29 | C35 | C34 | 121.5° | 119.9° |
| C29 | C35 | CL36 | 119.7° | 120.0° |
| C22 | C13 | N12 | 120.3° | 120.5° |
| C22 | C13 | O14 | 119.7° | 119.8° |
| C2 | N3 | C8 | 126.1° | 125.8° |
| N3 | C2 | H4 | 109.4° | 109.5° |
| N3 | C2 | H5 | 109.5° | 109.4° |
| N6 | C11 | N12 | 116.9° | 119.5° |
| C11 | N6 | N7 | 123.7° | 126.4° |
| C11 | N12 | C13 | 123.3° | 121.8° |
| C34 | C35 | CL36 | 118.8° | 120.0° |
| C35 | C34 | H13 | 120.5° | 119.9° |
| N3 | C8 | N7 | 109.9° | 108.8° |
| N3 | C8 | C9 | 127.0° | 125.6° |
| N6 | N7 | C8 | 107.6° | 108.2° |
| N12 | C13 | O14 | 120.0° | 119.7° |
| C13 | O14 | C15 | 121.4° | 117.0° |
| F20 | C18 | C15 | 108.3° | 109.4° |
| F20 | C18 | F21 | 107.9° | 109.5° |
| F20 | C18 | F19 | 111.0° | 109.5° |
| N7 | C8 | C9 | 123.1° | 125.6° |
| C8 | C9 | O10 | 111.9° | 109.5° |
| C8 | C9 | H14 | 108.9° | 109.5° |
| C8 | C9 | H15 | 108.9° | 109.5° |
| O14 | C15 | C18 | 105.2° | 109.5° |
| O14 | C15 | C17 | 109.9° | 109.5° |
| O14 | C15 | H6 | 110.4° | 109.4° |
| C18 | C15 | C17 | 113.2° | 109.5° |
| C15 | C18 | F21 | 110.0° | 109.4° |
| C15 | C18 | F19 | 107.7° | 109.5° |
| C18 | C15 | H6 | 109.1° | 109.5° |
| C17 | C15 | H6 | 109.0° | 109.5° |
| C15 | C17 | H7 | 109.5° | 109.5° |
| C15 | C17 | H8 | 109.5° | 109.5° |
| C15 | C17 | H9 | 109.5° | 109.5° |
| F21 | C18 | F19 | 111.9° | 109.5° |
| O10 | C9 | H14 | 108.9° | 109.5° |
| O10 | C9 | H15 | 108.9° | 109.5° |
| C9 | O10 | H16 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.4° | 109.5° |
| H7 | C17 | H9 | 109.4° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F31 | C30 | C32 | C29 | 178.7° | 179.7° |
| F31 | C30 | C32 | C33 | 179.9° | 179.8° |
| F31 | C30 | C29 | N28 | 3.1° | 0.3° |
| F31 | C30 | C29 | C35 | 179.1° | 179.8° |
| F31 | C30 | C32 | H11 | 0.1° | 0.3° |
| C30 | C32 | C33 | H11 | 180.0° | 180.0° |
| C30 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C30 | C29 | N28 | 178.2° | 180.0° |
| C32 | C30 | C29 | C35 | 2.2° | 0.0° |
| C30 | C32 | C33 | H12 | 179.9° | 180.0° |
| C33 | C32 | C30 | C29 | 1.1° | 0.0° |
| C32 | C33 | C34 | H12 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.1° |
| C32 | C33 | C34 | H13 | 179.9° | 180.0° |
| F25 | C24 | C23 | C11 | 179.6° | 180.0° |
| F25 | C24 | C23 | C22 | 178.3° | 180.0° |
| F25 | C24 | C11 | N6 | 1.1° | 0.0° |
| F25 | C24 | C11 | N12 | 179.1° | 179.7° |
| F25 | C24 | C23 | H10 | 1.8° | 0.1° |
| O5 | C4 | N3 | N6 | 179.4° | 179.8° |
| O5 | C4 | N3 | C2 | 0.5° | 0.2° |
| O5 | C4 | N6 | C11 | 0.7° | 0.3° |
| O5 | C4 | N3 | C8 | 179.3° | 179.7° |
| O5 | C4 | N6 | N7 | 179.1° | 179.7° |
| O27 | C26 | C22 | C23 | 13.3° | 180.0° |
| O27 | C26 | C22 | N28 | 173.2° | 180.0° |
| O27 | C26 | N28 | C29 | 1.0° | 4.9° |
| O27 | C26 | C22 | C13 | 172.1° | 0.3° |
| O27 | C26 | N28 | H17 | 179.0° | 175.0° |
| C30 | C29 | N28 | C26 | 71.1° | 88.0° |
| C30 | C29 | N28 | C35 | 175.9° | 180.0° |
| C30 | C29 | C35 | C34 | 2.2° | 0.0° |
| C30 | C29 | C35 | CL36 | 178.8° | 180.0° |
| C29 | C30 | C32 | H11 | 178.9° | 180.0° |
| C30 | C29 | N28 | H17 | 108.9° | 92.0° |
| C24 | C23 | C22 | H10 | 180.0° | 179.9° |
| C24 | C23 | C22 | C26 | 177.3° | 180.0° |
| C24 | C23 | C22 | C13 | 2.3° | 0.2° |
| C23 | C24 | C11 | N6 | 178.5° | 180.0° |
| C23 | C24 | C11 | N12 | 1.3° | 0.3° |
| C22 | C23 | C24 | C11 | 2.2° | 0.1° |
| C23 | C22 | C26 | C13 | 174.6° | 179.8° |
| C23 | C22 | C26 | N28 | 159.9° | 0.0° |
| C23 | C22 | C13 | N12 | 1.6° | 0.2° |
| C23 | C22 | C13 | O14 | 179.4° | 179.8° |
| C24 | C11 | N6 | C4 | 45.2° | 179.7° |
| C24 | C11 | N6 | N12 | 179.8° | 179.7° |
| C24 | C11 | N6 | N7 | 136.6° | 0.3° |
| C24 | C11 | N12 | C13 | 0.6° | 0.3° |
| C11 | C24 | C23 | H10 | 177.8° | 180.0° |
| C33 | C34 | C35 | C29 | 1.1° | 0.0° |
| C33 | C34 | C35 | H13 | 180.0° | 180.0° |
| C33 | C34 | C35 | CL36 | 179.9° | 180.0° |
| C34 | C33 | C32 | H11 | 179.9° | 179.9° |
| C22 | C26 | N28 | C29 | 174.2° | 175.0° |
| C26 | C22 | C13 | N12 | 176.3° | 180.0° |
| C26 | C22 | C13 | O14 | 4.7° | 0.0° |
| C26 | C22 | C23 | H10 | 2.7° | 0.1° |
| C22 | C26 | N28 | H17 | 5.8° | 5.0° |
| C26 | N28 | C29 | H17 | 180.0° | 180.0° |
| C26 | N28 | C29 | C35 | 113.0° | 92.0° |
| N28 | C26 | C22 | C13 | 14.7° | 179.8° |
| C1 | C2 | N3 | C4 | 93.2° | 90.1° |
| C1 | C2 | N3 | H4 | 120.0° | 120.0° |
| C1 | C2 | N3 | H5 | 120.0° | 119.9° |
| C1 | C2 | N3 | C8 | 87.1° | 90.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C4 | N3 | C2 | C8 | 179.7° | 179.9° |
| N3 | C4 | N6 | C11 | 179.9° | 180.0° |
| N3 | C4 | N6 | N7 | 1.5° | 0.0° |
| C4 | N3 | C8 | N7 | 0.7° | 0.0° |
| C4 | N3 | C8 | C9 | 177.0° | 180.0° |
| C4 | N3 | C2 | H4 | 26.8° | 30.0° |
| C4 | N3 | C2 | H5 | 146.8° | 150.0° |
| N6 | C4 | N3 | C2 | 178.9° | 180.0° |
| C4 | N6 | C11 | N7 | 178.2° | 180.0° |
| C4 | N6 | C11 | N12 | 134.6° | 0.0° |
| N6 | C4 | N3 | C8 | 1.3° | 0.0° |
| C4 | N6 | N7 | C8 | 1.0° | 0.0° |
| N28 | C29 | C35 | C34 | 178.0° | 180.0° |
| N28 | C29 | C35 | CL36 | 3.0° | 0.0° |
| C29 | C35 | C34 | CL36 | 179.0° | 180.0° |
| C29 | C35 | C34 | H13 | 178.9° | 180.0° |
| C35 | C29 | N28 | H17 | 67.0° | 88.1° |
| C22 | C13 | N12 | C11 | 0.8° | 0.0° |
| C22 | C13 | N12 | O14 | 179.0° | 180.0° |
| C22 | C13 | O14 | C15 | 164.2° | 180.0° |
| C13 | C22 | C23 | H10 | 177.7° | 179.7° |
| C2 | N3 | C8 | N7 | 179.5° | 180.0° |
| C2 | N3 | C8 | C9 | 2.8° | 0.1° |
| N3 | C2 | C1 | H1 | 180.0° | 180.0° |
| N3 | C2 | C1 | H2 | 60.0° | 60.0° |
| N3 | C2 | C1 | H3 | 60.0° | 59.9° |
| N3 | C2 | H4 | H5 | 120.0° | 120.0° |
| N6 | C11 | N12 | C13 | 179.2° | 180.0° |
| C11 | N6 | N7 | C8 | 179.6° | 180.0° |
| N12 | C11 | N6 | N7 | 43.6° | 180.0° |
| C11 | N12 | C13 | O14 | 179.8° | 180.0° |
| C35 | C34 | C33 | H12 | 180.0° | 180.0° |
| N3 | C8 | N7 | N6 | 0.2° | 0.0° |
| N3 | C8 | N7 | C9 | 177.8° | 180.0° |
| N3 | C8 | C9 | O10 | 68.4° | 180.0° |
| C8 | N3 | C2 | H4 | 152.9° | 150.0° |
| C8 | N3 | C2 | H5 | 32.9° | 29.9° |
| N3 | C8 | C9 | H14 | 171.3° | 60.0° |
| N3 | C8 | C9 | H15 | 52.0° | 60.0° |
| N6 | N7 | C8 | C9 | 178.0° | 180.0° |
| CL36 | C35 | C34 | H13 | 0.2° | 0.0° |
| N12 | C13 | O14 | C15 | 16.8° | 0.0° |
| C13 | O14 | C15 | C18 | 137.7° | 150.0° |
| C13 | O14 | C15 | C17 | 100.1° | 90.0° |
| C13 | O14 | C15 | H6 | 20.1° | 30.0° |
| F20 | C18 | C15 | O14 | 60.2° | 60.0° |
| F20 | C18 | C15 | F21 | 117.6° | 119.9° |
| F20 | C18 | C15 | F19 | 120.1° | 120.0° |
| F20 | C18 | C15 | C17 | 179.7° | 60.0° |
| F20 | C18 | F21 | F19 | 122.3° | 120.1° |
| F20 | C18 | C15 | H6 | 58.2° | 180.0° |
| N7 | C8 | C9 | O10 | 114.3° | 0.0° |
| N7 | C8 | C9 | H14 | 6.1° | 120.0° |
| N7 | C8 | C9 | H15 | 125.4° | 120.0° |
| C8 | C9 | O10 | H14 | 120.3° | 120.0° |
| C8 | C9 | O10 | H15 | 120.4° | 120.0° |
| C8 | C9 | H14 | H15 | 118.9° | 120.0° |
| C8 | C9 | O10 | H16 | 180.0° | 180.0° |
| O14 | C15 | C18 | C17 | 120.0° | 120.0° |
| O14 | C15 | C18 | H6 | 118.4° | 120.0° |
| O14 | C15 | C17 | H6 | 121.1° | 120.0° |
| O14 | C15 | C18 | F21 | 57.4° | 59.9° |
| O14 | C15 | C18 | F19 | 179.7° | 180.0° |
| O14 | C15 | C17 | H7 | 180.0° | 60.1° |
| O14 | C15 | C17 | H8 | 60.0° | 180.0° |
| O14 | C15 | C17 | H9 | 60.0° | 60.0° |
| C18 | C15 | C17 | H6 | 121.6° | 120.0° |
| C15 | C18 | F21 | F19 | 119.7° | 120.0° |
| C18 | C15 | C17 | H7 | 62.7° | 60.0° |
| C18 | C15 | C17 | H8 | 177.3° | 60.0° |
| C18 | C15 | C17 | H9 | 57.3° | 180.0° |
| C17 | C15 | C18 | F21 | 62.6° | 180.0° |
| C17 | C15 | C18 | F19 | 59.6° | 60.0° |
| C15 | C17 | H7 | H8 | 120.0° | 120.0° |
| C15 | C17 | H7 | H9 | 120.0° | 120.0° |
| C15 | C17 | H8 | H9 | 120.0° | 120.0° |
| F21 | C18 | C15 | H6 | 175.8° | 60.1° |
| F19 | C18 | C15 | H6 | 61.9° | 60.0° |
| O10 | C9 | H14 | H15 | 118.9° | 120.0° |
| H1 | C1 | H2 | H3 | 119.9° | 119.9° |
| H1 | C1 | C2 | H4 | 60.0° | 59.9° |
| H1 | C1 | C2 | H5 | 60.0° | 60.1° |
| H2 | C1 | C2 | H4 | 60.0° | 60.1° |
| H2 | C1 | C2 | H5 | 179.9° | 179.9° |
| H3 | C1 | C2 | H4 | 180.0° | 180.0° |
| H3 | C1 | C2 | H5 | 60.0° | 60.0° |
| H6 | C15 | C17 | H7 | 58.9° | 180.0° |
| H6 | C15 | C17 | H8 | 61.1° | 60.0° |
| H6 | C15 | C17 | H9 | 178.9° | 60.0° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H11 | C32 | C33 | H12 | 0.1° | 0.0° |
| H12 | C33 | C34 | H13 | 0.0° | 0.0° |
| H14 | C9 | O10 | H16 | 59.7° | 60.0° |
| H15 | C9 | O10 | H16 | 59.6° | 60.0° |
