42T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C24 | sing | 1.74Å | 1.72Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.40Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N17 | C15 | sing | 1.35Å | 1.44Å | |
| C21 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | CL1 | sing | 1.74Å | 1.71Å | |
| C15 | N14 | sing | 1.35Å | 1.39Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| N14 | C13 | sing | 1.40Å | 1.28Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| O20 | N19 | sing | 1.42Å | 1.31Å | |
| N07 | C04 | sing | 1.37Å | 1.39Å | |
| N07 | C08 | doub | 1.31Å | 1.38Å | |
| C04 | C03 | doub | 1.40Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| N19 | C08 | sing | 1.38Å | 1.30Å | |
| C01 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.49Å | |
| C09 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C07 | sing | 1.51Å | 1.48Å | |
| F17 | C07 | sing | 1.40Å | 1.31Å | |
| C07 | F18 | sing | 1.40Å | 1.29Å | |
| C07 | F16 | sing | 1.40Å | 1.30Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N19 | H9 | sing | 0.97Å | 1.00Å | |
| O20 | H10 | sing | 0.97Å | 0.95Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| N17 | H12 | sing | 0.97Å | 1.00Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C24 | C23 | 116.5° | 120.0° |
| CL2 | C24 | C18 | 120.5° | 120.0° |
| C24 | C23 | C22 | 119.8° | 120.1° |
| C23 | C24 | C18 | 123.0° | 119.9° |
| C24 | C23 | H15 | 120.1° | 120.0° |
| C23 | C22 | C21 | 118.9° | 120.2° |
| C23 | C22 | H14 | 120.5° | 120.0° |
| C22 | C23 | H15 | 120.1° | 119.9° |
| C24 | C18 | N17 | 119.0° | 120.1° |
| C24 | C18 | C19 | 114.8° | 119.8° |
| C22 | C21 | C19 | 120.3° | 120.0° |
| C22 | C21 | H13 | 119.8° | 120.0° |
| C21 | C22 | H14 | 120.5° | 119.8° |
| N17 | C18 | C19 | 126.2° | 120.1° |
| C18 | N17 | C15 | 115.5° | 120.0° |
| C18 | N17 | H12 | 122.2° | 120.0° |
| C18 | C19 | C21 | 123.2° | 119.9° |
| C18 | C19 | CL1 | 125.6° | 120.0° |
| N17 | C15 | N14 | 118.5° | 120.0° |
| N17 | C15 | O16 | 115.8° | 120.0° |
| C15 | N17 | H12 | 122.2° | 120.0° |
| C21 | C19 | CL1 | 111.2° | 120.1° |
| C19 | C21 | H13 | 119.9° | 119.9° |
| N14 | C15 | O16 | 125.7° | 120.0° |
| C15 | N14 | C13 | 129.3° | 120.0° |
| C15 | N14 | H11 | 115.3° | 120.1° |
| N14 | C13 | C14 | 117.6° | 120.0° |
| N14 | C13 | C12 | 122.2° | 120.0° |
| C13 | N14 | H11 | 115.3° | 120.0° |
| C06 | C05 | C04 | 121.1° | 119.8° |
| C05 | C06 | C01 | 121.1° | 120.2° |
| C06 | C05 | H4 | 119.4° | 120.1° |
| C05 | C06 | H5 | 119.5° | 119.9° |
| C05 | C04 | N07 | 119.6° | 120.1° |
| C05 | C04 | C03 | 116.1° | 119.7° |
| C04 | C05 | H4 | 119.5° | 120.1° |
| C06 | C01 | C02 | 118.2° | 120.3° |
| C06 | C01 | H1 | 120.9° | 119.8° |
| C01 | C06 | H5 | 119.5° | 119.9° |
| C13 | C14 | C09 | 120.7° | 119.8° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C13 | C14 | H8 | 119.7° | 120.1° |
| C14 | C09 | C08 | 120.2° | 120.1° |
| C14 | C09 | C10 | 118.4° | 119.8° |
| C09 | C14 | H8 | 119.6° | 120.1° |
| O20 | N19 | C08 | 119.9° | 120.0° |
| O20 | N19 | H9 | 120.1° | 120.0° |
| N19 | O20 | H10 | 109.5° | 114.0° |
| C04 | N07 | C08 | 132.2° | 120.0° |
| N07 | C04 | C03 | 124.3° | 120.2° |
| N07 | C08 | N19 | 133.0° | 120.0° |
| N07 | C08 | C09 | 123.8° | 120.0° |
| C04 | C03 | C02 | 123.3° | 119.8° |
| C04 | C03 | H3 | 118.3° | 120.1° |
| C13 | C12 | C11 | 118.7° | 120.3° |
| C13 | C12 | H7 | 120.7° | 119.8° |
| N19 | C08 | C09 | 103.1° | 120.0° |
| C08 | N19 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | 120.2° | 120.2° |
| C02 | C01 | H1 | 120.9° | 119.9° |
| C01 | C02 | H2 | 119.9° | 119.9° |
| C08 | C09 | C10 | 121.4° | 120.1° |
| C09 | C10 | C11 | 120.5° | 120.0° |
| C09 | C10 | H6 | 119.7° | 120.1° |
| C03 | C02 | H2 | 119.9° | 119.9° |
| C02 | C03 | H3 | 118.3° | 120.1° |
| C12 | C11 | C10 | 121.5° | 120.2° |
| C12 | C11 | C07 | 118.9° | 119.9° |
| C11 | C12 | H7 | 120.7° | 119.9° |
| C10 | C11 | C07 | 119.5° | 119.9° |
| C11 | C10 | H6 | 119.8° | 119.9° |
| C11 | C07 | F17 | 111.7° | 109.5° |
| C11 | C07 | F18 | 115.8° | 109.4° |
| C11 | C07 | F16 | 115.4° | 109.4° |
| F17 | C07 | F18 | 105.6° | 109.5° |
| F17 | C07 | F16 | 101.6° | 109.5° |
| F18 | C07 | F16 | 105.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C24 | C23 | C18 | 179.6° | 179.4° |
| CL2 | C24 | C23 | C22 | 180.0° | 180.0° |
| CL2 | C24 | C18 | N17 | 1.2° | 0.2° |
| CL2 | C24 | C18 | C19 | 179.8° | 180.0° |
| CL2 | C24 | C23 | H15 | 0.0° | 0.6° |
| C24 | C23 | C22 | H15 | 180.0° | 179.4° |
| C24 | C23 | C22 | C21 | 0.0° | 0.3° |
| C23 | C24 | C18 | N17 | 179.2° | 179.7° |
| C23 | C24 | C18 | C19 | 0.6° | 0.6° |
| C24 | C23 | C22 | H14 | 180.0° | 179.7° |
| C22 | C23 | C24 | C18 | 0.4° | 0.6° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 0.0° | 0.0° |
| C23 | C22 | C21 | H13 | 180.0° | 179.9° |
| C24 | C18 | N17 | C19 | 178.4° | 179.8° |
| C24 | C18 | N17 | C15 | 107.9° | 50.6° |
| C24 | C18 | C19 | C21 | 0.6° | 0.2° |
| C24 | C18 | C19 | CL1 | 179.7° | 179.7° |
| C24 | C18 | N17 | H12 | 72.1° | 129.3° |
| C18 | C24 | C23 | H15 | 179.6° | 180.0° |
| C22 | C21 | C19 | C18 | 0.3° | 0.1° |
| C22 | C21 | C19 | H13 | 180.0° | 179.9° |
| C22 | C21 | C19 | CL1 | 179.9° | 180.0° |
| C21 | C22 | C23 | H15 | 180.0° | 179.7° |
| C18 | N17 | C15 | H12 | 180.0° | 179.9° |
| N17 | C18 | C19 | C21 | 179.1° | 180.0° |
| N17 | C18 | C19 | CL1 | 1.2° | 0.1° |
| C18 | N17 | C15 | N14 | 179.8° | 174.7° |
| C18 | N17 | C15 | O16 | 0.7° | 5.3° |
| C19 | C18 | N17 | C15 | 70.6° | 129.7° |
| C18 | C19 | C21 | CL1 | 179.7° | 179.9° |
| C19 | C18 | N17 | H12 | 109.5° | 50.4° |
| C18 | C19 | C21 | H13 | 179.6° | 180.0° |
| N17 | C15 | N14 | O16 | 179.5° | 180.0° |
| N17 | C15 | N14 | C13 | 179.1° | 175.5° |
| N17 | C15 | N14 | H11 | 0.9° | 4.4° |
| C19 | C21 | C22 | H14 | 180.0° | 180.0° |
| CL1 | C19 | C21 | H13 | 0.1° | 0.1° |
| C15 | N14 | C13 | H11 | 180.0° | 180.0° |
| C15 | N14 | C13 | C14 | 145.4° | 35.7° |
| C15 | N14 | C13 | C12 | 33.6° | 144.1° |
| N14 | C15 | N17 | H12 | 0.2° | 5.4° |
| O16 | C15 | N14 | C13 | 1.4° | 4.5° |
| O16 | C15 | N14 | H11 | 178.6° | 175.5° |
| O16 | C15 | N17 | H12 | 179.3° | 174.6° |
| N14 | C13 | C14 | C12 | 179.1° | 179.8° |
| N14 | C13 | C14 | C09 | 179.5° | 179.7° |
| N14 | C13 | C12 | C11 | 179.6° | 180.0° |
| N14 | C13 | C12 | H7 | 0.4° | 0.0° |
| N14 | C13 | C14 | H8 | 0.5° | 0.2° |
| C06 | C05 | C04 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | H5 | 180.0° | 179.5° |
| C06 | C05 | C04 | N07 | 179.1° | 179.8° |
| C06 | C05 | C04 | C03 | 0.9° | 0.3° |
| C05 | C06 | C01 | C02 | 0.0° | 0.5° |
| C05 | C06 | C01 | H1 | 180.0° | 179.8° |
| C04 | C05 | C06 | C01 | 0.4° | 0.5° |
| C05 | C04 | N07 | C03 | 178.1° | 179.9° |
| C05 | C04 | N07 | C08 | 47.4° | 58.9° |
| C05 | C04 | C03 | C02 | 0.9° | 0.0° |
| C05 | C04 | C03 | H3 | 179.1° | 179.9° |
| C04 | C05 | C06 | H5 | 179.5° | 180.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | H2 | 180.0° | 179.8° |
| C01 | C06 | C05 | H4 | 179.5° | 180.0° |
| C13 | C14 | C09 | H8 | 180.0° | 179.5° |
| C13 | C14 | C09 | C08 | 179.7° | 179.7° |
| C13 | C14 | C09 | C10 | 0.1° | 0.6° |
| C14 | C13 | C12 | C11 | 0.5° | 0.3° |
| C14 | C13 | C12 | H7 | 179.4° | 179.7° |
| C14 | C13 | N14 | H11 | 34.5° | 144.4° |
| C14 | C09 | C08 | N07 | 121.4° | 37.0° |
| C09 | C14 | C13 | C12 | 0.4° | 0.5° |
| C14 | C09 | C08 | N19 | 58.8° | 142.9° |
| C14 | C09 | C08 | C10 | 179.8° | 179.7° |
| C14 | C09 | C10 | C11 | 0.1° | 0.3° |
| C14 | C09 | C10 | H6 | 179.9° | 179.8° |
| O20 | N19 | C08 | N07 | 0.3° | 0.1° |
| O20 | N19 | C08 | H9 | 180.0° | 180.0° |
| O20 | N19 | C08 | C09 | 180.0° | 180.0° |
| C04 | N07 | C08 | N19 | 179.3° | 172.2° |
| C04 | N07 | C08 | C09 | 1.1° | 7.8° |
| N07 | C04 | C03 | C02 | 179.1° | 180.0° |
| N07 | C04 | C03 | H3 | 0.9° | 0.0° |
| N07 | C04 | C05 | H4 | 0.8° | 0.3° |
| C08 | N07 | C04 | C03 | 134.5° | 121.2° |
| N07 | C08 | N19 | C09 | 179.7° | 180.0° |
| N07 | C08 | C09 | C10 | 58.8° | 143.3° |
| N07 | C08 | N19 | H9 | 179.7° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C04 | C03 | C02 | H3 | 180.0° | 179.9° |
| C04 | C03 | C02 | H2 | 179.5° | 180.0° |
| C03 | C04 | C05 | H4 | 179.1° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | C07 | 179.9° | 180.0° |
| C12 | C13 | C14 | H8 | 179.5° | 180.0° |
| C12 | C13 | N14 | H11 | 146.4° | 35.8° |
| N19 | C08 | C09 | C10 | 121.0° | 36.8° |
| C08 | N19 | O20 | H10 | 180.0° | 180.0° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | H3 | 179.5° | 179.9° |
| C02 | C01 | C06 | H5 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 179.8° | 179.9° |
| C08 | C09 | C10 | H6 | 0.1° | 0.0° |
| C08 | C09 | C14 | H8 | 0.4° | 0.2° |
| C09 | C08 | N19 | H9 | 0.0° | 0.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.1° |
| C09 | C10 | C11 | H6 | 180.0° | 179.9° |
| C09 | C10 | C11 | C07 | 179.6° | 180.0° |
| C10 | C09 | C14 | H8 | 179.9° | 179.9° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | C07 | 179.5° | 180.0° |
| C12 | C11 | C07 | F17 | 16.4° | 150.0° |
| C12 | C11 | C07 | F18 | 137.3° | 90.0° |
| C12 | C11 | C07 | F16 | 99.0° | 30.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C10 | C11 | C07 | F17 | 163.1° | 30.1° |
| C10 | C11 | C07 | F18 | 42.2° | 90.0° |
| C10 | C11 | C07 | F16 | 81.5° | 150.0° |
| C10 | C11 | C12 | H7 | 179.6° | 180.0° |
| C11 | C07 | F17 | F18 | 126.7° | 120.0° |
| C11 | C07 | F17 | F16 | 123.5° | 120.0° |
| C11 | C07 | F18 | F16 | 128.8° | 120.0° |
| C07 | C11 | C10 | H6 | 0.4° | 0.1° |
| C07 | C11 | C12 | H7 | 0.1° | 0.0° |
| F17 | C07 | F18 | F16 | 107.1° | 120.0° |
| H1 | C01 | C02 | H2 | 0.0° | 0.1° |
| H1 | C01 | C06 | H5 | 0.0° | 0.3° |
| H2 | C02 | C03 | H3 | 0.5° | 0.0° |
| H4 | C05 | C06 | H5 | 0.5° | 0.5° |
| H9 | N19 | O20 | H10 | 0.0° | 0.0° |
| H13 | C21 | C22 | H14 | 0.0° | 0.1° |
| H14 | C22 | C23 | H15 | 0.0° | 0.3° |
