7TL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F33 | C27 | sing | 1.40Å | 1.37Å | |
| C21 | C22 | doub | 1.34Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.31Å | 1.43Å | Aromatic |
| C28 | C27 | sing | 1.55Å | 1.54Å | |
| C28 | C29 | sing | 1.55Å | 1.51Å | |
| O32 | C30 | doub | 1.21Å | 1.25Å | |
| F34 | C27 | sing | 1.40Å | 1.34Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| C22 | S23 | sing | 1.71Å | 1.73Å | Aromatic |
| N20 | C19 | doub | 1.30Å | 1.33Å | Aromatic |
| C30 | O31 | sing | 1.34Å | 1.27Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C29 | N25 | sing | 1.49Å | 1.45Å | |
| N25 | C26 | sing | 1.48Å | 1.47Å | |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C19 | S23 | sing | 1.76Å | 1.77Å | Aromatic |
| C19 | C08 | sing | 1.47Å | 1.54Å | |
| N07 | C08 | sing | 1.38Å | 1.39Å | |
| N07 | C06 | sing | 1.37Å | 1.41Å | |
| C08 | N09 | doub | 1.30Å | 1.31Å | |
| C24 | C06 | sing | 1.51Å | 1.54Å | |
| C06 | C05 | doub | 1.35Å | 1.37Å | |
| N09 | C10 | sing | 1.46Å | 1.49Å | |
| C05 | C10 | sing | 1.50Å | 1.55Å | |
| C05 | C03 | sing | 1.41Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.62Å | |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| O04 | C03 | doub | 1.22Å | 1.24Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | O02 | sing | 1.35Å | 1.37Å | |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | F18 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.80Å | |
| O02 | C01 | sing | 1.43Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| O31 | H17 | sing | 0.97Å | 0.95Å | |
| N07 | H18 | sing | 0.97Å | 1.00Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F33 | C27 | C28 | 110.8° | 110.3° |
| F33 | C27 | F34 | 101.3° | 110.3° |
| F33 | C27 | C26 | 112.6° | 110.3° |
| C22 | C21 | N20 | 113.9° | 115.8° |
| C21 | C22 | S23 | 108.6° | 109.1° |
| C22 | C21 | H7 | 123.0° | 122.1° |
| C21 | C22 | H8 | 125.7° | 125.4° |
| C21 | N20 | C19 | 114.5° | 115.9° |
| N20 | C21 | H7 | 123.0° | 122.1° |
| C27 | C28 | C29 | 105.2° | 102.9° |
| C28 | C27 | F34 | 113.5° | 110.3° |
| C28 | C27 | C26 | 107.6° | 105.1° |
| C27 | C28 | H14 | 110.5° | 110.8° |
| C27 | C28 | H15 | 110.5° | 110.7° |
| C28 | C29 | C30 | 113.1° | 110.7° |
| C28 | C29 | N25 | 100.3° | 103.2° |
| C29 | C28 | H14 | 110.5° | 110.7° |
| C29 | C28 | H15 | 110.5° | 110.7° |
| C28 | C29 | H16 | 108.2° | 110.6° |
| O32 | C30 | O31 | 123.8° | 120.0° |
| O32 | C30 | C29 | 115.8° | 120.0° |
| F34 | C27 | C26 | 111.1° | 110.3° |
| C27 | C26 | N25 | 98.2° | 107.1° |
| C27 | C26 | H12 | 112.2° | 109.9° |
| C27 | C26 | H13 | 112.2° | 110.1° |
| C22 | S23 | C19 | 93.3° | 90.4° |
| S23 | C22 | H8 | 125.7° | 125.5° |
| N20 | C19 | S23 | 109.6° | 108.9° |
| N20 | C19 | C08 | 130.6° | 125.6° |
| O31 | C30 | C29 | 120.4° | 120.0° |
| C30 | O31 | H17 | 109.5° | 117.0° |
| C30 | C29 | N25 | 117.9° | 110.7° |
| C30 | C29 | H16 | 107.8° | 110.8° |
| C29 | N25 | C26 | 109.9° | 105.8° |
| C29 | N25 | C24 | 118.3° | 111.0° |
| N25 | C29 | H16 | 109.0° | 110.6° |
| C26 | N25 | C24 | 113.1° | 111.0° |
| N25 | C26 | H12 | 112.2° | 109.9° |
| N25 | C26 | H13 | 112.2° | 109.9° |
| N25 | C24 | C06 | 116.0° | 109.4° |
| N25 | C24 | H9 | 107.8° | 109.5° |
| N25 | C24 | H10 | 107.8° | 109.5° |
| S23 | C19 | C08 | 119.6° | 125.6° |
| C19 | C08 | N07 | 116.6° | 119.4° |
| C19 | C08 | N09 | 121.1° | 119.4° |
| C08 | N07 | C06 | 119.3° | 119.6° |
| N07 | C08 | N09 | 122.2° | 121.3° |
| C08 | N07 | H18 | 120.3° | 120.2° |
| N07 | C06 | C24 | 109.9° | 120.2° |
| N07 | C06 | C05 | 121.4° | 119.7° |
| C06 | N07 | H18 | 120.4° | 120.2° |
| C08 | N09 | C10 | 124.4° | 122.7° |
| C24 | C06 | C05 | 128.6° | 120.2° |
| C06 | C24 | H9 | 107.8° | 109.4° |
| C06 | C24 | H10 | 107.8° | 109.5° |
| C06 | C05 | C10 | 118.8° | 121.0° |
| C06 | C05 | C03 | 123.9° | 119.5° |
| N09 | C10 | C05 | 111.1° | 111.2° |
| N09 | C10 | C11 | 101.0° | 108.9° |
| N09 | C10 | H19 | 110.5° | 109.4° |
| C10 | C05 | C03 | 113.3° | 119.5° |
| C05 | C10 | C11 | 115.5° | 109.1° |
| C05 | C10 | H19 | 109.7° | 109.1° |
| C05 | C03 | O04 | 123.4° | 120.0° |
| C05 | C03 | O02 | 125.1° | 120.0° |
| C10 | C11 | C12 | 121.5° | 120.0° |
| C10 | C11 | C16 | 126.1° | 120.0° |
| C11 | C10 | H19 | 108.7° | 109.1° |
| C13 | C12 | C11 | 124.2° | 120.0° |
| C12 | C13 | C14 | 118.3° | 120.0° |
| C13 | C12 | H4 | 117.9° | 120.0° |
| C12 | C13 | H5 | 120.8° | 120.0° |
| C12 | C11 | C16 | 112.4° | 120.0° |
| C11 | C12 | H4 | 117.9° | 120.0° |
| O04 | C03 | O02 | 111.5° | 120.0° |
| C13 | C14 | F18 | 117.7° | 120.0° |
| C13 | C14 | C15 | 121.1° | 119.9° |
| C14 | C13 | H5 | 120.8° | 120.0° |
| C03 | O02 | C01 | 122.1° | 117.0° |
| C11 | C16 | C15 | 127.1° | 120.0° |
| C11 | C16 | CL1 | 116.0° | 120.0° |
| F18 | C14 | C15 | 121.1° | 120.1° |
| C14 | C15 | C16 | 116.9° | 120.0° |
| C14 | C15 | H6 | 121.5° | 120.0° |
| C15 | C16 | CL1 | 116.9° | 120.0° |
| C16 | C15 | H6 | 121.6° | 120.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H12 | C26 | H13 | 109.5° | 109.9° |
| H14 | C28 | H15 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F33 | C27 | C28 | F34 | 113.1° | 122.1° |
| F33 | C27 | C28 | C26 | 123.5° | 118.9° |
| F33 | C27 | C28 | C29 | 125.0° | 140.9° |
| F33 | C27 | F34 | C26 | 119.8° | 122.2° |
| F33 | C27 | C26 | N25 | 99.7° | 117.7° |
| F33 | C27 | C26 | H12 | 18.4° | 123.0° |
| F33 | C27 | C26 | H13 | 142.1° | 1.8° |
| F33 | C27 | C28 | H14 | 115.7° | 100.8° |
| F33 | C27 | C28 | H15 | 5.7° | 22.6° |
| C22 | C21 | N20 | H7 | 180.0° | 180.0° |
| C21 | C22 | S23 | H8 | 180.0° | 179.9° |
| C22 | C21 | N20 | C19 | 1.1° | 0.0° |
| C21 | C22 | S23 | C19 | 0.9° | 0.0° |
| N20 | C21 | C22 | S23 | 0.1° | 0.0° |
| C21 | N20 | C19 | S23 | 1.7° | 0.0° |
| C21 | N20 | C19 | C08 | 176.8° | 179.7° |
| N20 | C21 | C22 | H8 | 179.9° | 179.9° |
| C27 | C28 | C29 | H14 | 119.3° | 118.4° |
| C27 | C28 | C29 | H15 | 119.3° | 118.3° |
| C28 | C27 | F34 | C26 | 121.5° | 115.7° |
| C27 | C28 | C29 | C30 | 152.1° | 155.8° |
| C27 | C28 | C29 | N25 | 25.7° | 37.4° |
| C28 | C27 | C26 | N25 | 22.6° | 1.3° |
| C28 | C27 | C26 | H12 | 140.7° | 118.1° |
| C28 | C27 | C26 | H13 | 95.5° | 120.7° |
| C27 | C28 | H14 | H15 | 122.0° | 123.3° |
| C27 | C28 | C29 | H16 | 88.5° | 81.0° |
| C28 | C29 | C30 | O32 | 81.2° | 118.5° |
| C29 | C28 | C27 | F34 | 121.9° | 97.0° |
| C29 | C28 | C27 | C26 | 1.6° | 21.9° |
| C28 | C29 | C30 | O31 | 100.4° | 61.4° |
| C28 | C29 | C30 | N25 | 116.4° | 113.8° |
| C28 | C29 | C30 | H16 | 119.6° | 123.1° |
| C28 | C29 | N25 | H16 | 113.5° | 118.4° |
| C28 | C29 | N25 | C26 | 44.0° | 39.2° |
| C28 | C29 | N25 | C24 | 176.0° | 159.7° |
| C29 | C28 | H14 | H15 | 122.0° | 123.2° |
| O32 | C30 | O31 | C29 | 178.2° | 180.0° |
| O32 | C30 | C29 | N25 | 162.3° | 4.7° |
| O32 | C30 | C29 | H16 | 38.4° | 118.4° |
| O32 | C30 | O31 | H17 | 0.0° | 0.1° |
| F34 | C27 | C26 | N25 | 147.5° | 120.2° |
| F34 | C27 | C26 | H12 | 94.4° | 0.8° |
| F34 | C27 | C26 | H13 | 29.3° | 120.4° |
| F34 | C27 | C28 | H14 | 2.5° | 21.4° |
| F34 | C27 | C28 | H15 | 118.8° | 144.7° |
| C27 | C26 | N25 | C29 | 42.2° | 25.4° |
| C27 | C26 | N25 | H12 | 118.1° | 119.4° |
| C27 | C26 | N25 | H13 | 118.1° | 119.5° |
| C27 | C26 | N25 | C24 | 176.9° | 145.8° |
| C27 | C26 | H12 | H13 | 125.3° | 121.3° |
| C26 | C27 | C28 | H14 | 120.9° | 140.3° |
| C26 | C27 | C28 | H15 | 117.8° | 96.4° |
| C22 | S23 | C19 | N20 | 1.5° | 0.0° |
| C22 | S23 | C19 | C08 | 177.2° | 179.7° |
| S23 | C22 | C21 | H7 | 179.9° | 180.0° |
| N20 | C19 | S23 | C08 | 175.6° | 179.8° |
| N20 | C19 | C08 | N07 | 12.6° | 0.3° |
| N20 | C19 | C08 | N09 | 171.4° | 179.7° |
| C19 | N20 | C21 | H7 | 178.9° | 180.0° |
| O31 | C30 | C29 | N25 | 16.0° | 175.2° |
| O31 | C30 | C29 | H16 | 140.0° | 61.7° |
| C30 | C29 | N25 | H16 | 123.3° | 123.2° |
| C30 | C29 | N25 | C26 | 167.2° | 157.7° |
| C30 | C29 | N25 | C24 | 60.8° | 81.9° |
| C30 | C29 | C28 | H14 | 88.5° | 85.8° |
| C30 | C29 | C28 | H15 | 32.8° | 37.5° |
| C29 | C30 | O31 | H17 | 178.2° | 180.0° |
| C29 | N25 | C26 | C24 | 134.7° | 120.5° |
| C29 | N25 | C24 | C06 | 159.0° | 172.7° |
| C29 | N25 | C24 | H9 | 80.1° | 52.7° |
| C29 | N25 | C24 | H10 | 38.1° | 67.3° |
| C29 | N25 | C26 | H12 | 160.3° | 94.0° |
| C29 | N25 | C26 | H13 | 76.0° | 144.9° |
| N25 | C29 | C28 | H14 | 145.0° | 155.8° |
| N25 | C29 | C28 | H15 | 93.6° | 80.9° |
| C26 | N25 | C24 | C06 | 70.4° | 69.9° |
| C26 | N25 | C24 | H9 | 50.5° | 170.1° |
| C26 | N25 | C24 | H10 | 168.6° | 50.1° |
| N25 | C26 | H12 | H13 | 125.3° | 121.1° |
| C26 | N25 | C29 | H16 | 69.5° | 79.2° |
| N25 | C24 | C06 | N07 | 18.4° | 64.2° |
| N25 | C24 | C06 | H9 | 120.9° | 120.0° |
| N25 | C24 | C06 | H10 | 120.9° | 120.0° |
| N25 | C24 | C06 | C05 | 163.4° | 115.8° |
| N25 | C24 | H9 | H10 | 117.1° | 120.0° |
| C24 | N25 | C26 | H12 | 65.0° | 26.4° |
| C24 | N25 | C26 | H13 | 58.7° | 94.7° |
| C24 | N25 | C29 | H16 | 62.5° | 41.3° |
| S23 | C19 | C08 | N07 | 162.0° | 180.0° |
| S23 | C19 | C08 | N09 | 14.0° | 0.0° |
| C19 | S23 | C22 | H8 | 179.1° | 179.9° |
| C19 | C08 | N07 | N09 | 176.0° | 180.0° |
| C19 | C08 | N07 | C06 | 178.6° | 162.4° |
| C19 | C08 | N09 | C10 | 176.0° | 179.4° |
| C19 | C08 | N07 | H18 | 1.4° | 17.5° |
| C08 | N07 | C06 | H18 | 180.0° | 179.9° |
| C08 | N07 | C06 | C24 | 174.5° | 162.9° |
| C08 | N07 | C06 | C05 | 7.1° | 17.2° |
| N07 | C08 | N09 | C10 | 0.2° | 0.6° |
| C06 | N07 | C08 | N09 | 2.6° | 17.5° |
| N07 | C06 | C24 | C05 | 178.2° | 180.0° |
| N07 | C06 | C05 | C10 | 18.0° | 0.4° |
| N07 | C06 | C05 | C03 | 173.9° | 179.8° |
| N07 | C06 | C24 | H9 | 139.3° | 55.8° |
| N07 | C06 | C24 | H10 | 102.6° | 175.7° |
| C08 | N09 | C10 | C05 | 9.9° | 16.5° |
| C08 | N09 | C10 | C11 | 113.2° | 103.8° |
| N09 | C08 | N07 | H18 | 177.4° | 162.5° |
| C08 | N09 | C10 | H19 | 131.9° | 137.1° |
| C24 | C06 | C05 | C10 | 163.9° | 179.5° |
| C24 | C06 | C05 | C03 | 8.1° | 0.2° |
| C06 | C24 | H9 | H10 | 117.0° | 120.0° |
| C24 | C06 | N07 | H18 | 5.5° | 17.1° |
| C06 | C05 | C10 | N09 | 18.5° | 16.3° |
| C06 | C05 | C10 | C03 | 158.3° | 179.8° |
| C06 | C05 | C10 | C11 | 95.8° | 103.9° |
| C06 | C05 | C03 | O04 | 15.4° | 98.5° |
| C06 | C05 | C03 | O02 | 165.4° | 81.5° |
| C05 | C06 | C24 | H9 | 42.5° | 124.2° |
| C05 | C06 | C24 | H10 | 75.7° | 4.3° |
| C05 | C06 | N07 | H18 | 172.9° | 162.9° |
| C06 | C05 | C10 | H19 | 141.0° | 137.0° |
| N09 | C10 | C05 | C11 | 114.3° | 120.2° |
| N09 | C10 | C05 | H19 | 122.5° | 120.8° |
| N09 | C10 | C05 | C03 | 176.8° | 163.9° |
| N09 | C10 | C11 | H19 | 116.3° | 119.3° |
| N09 | C10 | C11 | C12 | 56.0° | 29.8° |
| N09 | C10 | C11 | C16 | 120.4° | 150.5° |
| C05 | C10 | C11 | H19 | 123.7° | 119.1° |
| C05 | C10 | C11 | C12 | 64.0° | 91.8° |
| C10 | C05 | C03 | O04 | 172.5° | 81.3° |
| C10 | C05 | C03 | O02 | 8.3° | 98.7° |
| C05 | C10 | C11 | C16 | 119.6° | 88.0° |
| C03 | C05 | C10 | C11 | 62.5° | 75.9° |
| C05 | C03 | O04 | O02 | 179.3° | 180.0° |
| C05 | C03 | O02 | C01 | 176.5° | 180.0° |
| C03 | C05 | C10 | H19 | 60.7° | 43.2° |
| C10 | C11 | C12 | C13 | 179.0° | 180.0° |
| C10 | C11 | C12 | C16 | 176.9° | 179.7° |
| C10 | C11 | C16 | C15 | 178.7° | 179.7° |
| C10 | C11 | C16 | CL1 | 1.8° | 0.0° |
| C10 | C11 | C12 | H4 | 1.0° | 0.0° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 2.1° | 0.3° |
| C12 | C13 | C14 | F18 | 179.3° | 179.9° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.0° |
| C12 | C11 | C16 | C15 | 2.0° | 0.5° |
| C12 | C11 | C16 | CL1 | 178.5° | 179.7° |
| C11 | C12 | C13 | H5 | 178.5° | 180.0° |
| C12 | C11 | C10 | H19 | 172.3° | 149.1° |
| O04 | C03 | O02 | C01 | 4.2° | 0.0° |
| C13 | C14 | F18 | C15 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 0.3° | 0.3° |
| C14 | C13 | C12 | H4 | 178.5° | 180.0° |
| C13 | C14 | C15 | H6 | 179.7° | 179.9° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| C11 | C16 | C15 | C14 | 1.1° | 0.6° |
| C11 | C16 | C15 | CL1 | 179.5° | 179.7° |
| C16 | C11 | C12 | H4 | 177.9° | 179.7° |
| C11 | C16 | C15 | H6 | 178.9° | 179.7° |
| C16 | C11 | C10 | H19 | 4.2° | 31.2° |
| F18 | C14 | C15 | C16 | 179.6° | 179.8° |
| F18 | C14 | C13 | H5 | 0.7° | 0.1° |
| F18 | C14 | C15 | H6 | 0.5° | 0.0° |
| C14 | C15 | C16 | H6 | 180.0° | 179.8° |
| C14 | C15 | C16 | CL1 | 179.3° | 179.7° |
| C15 | C14 | C13 | H5 | 179.5° | 180.0° |
| CL1 | C16 | C15 | H6 | 0.7° | 0.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C13 | H5 | 1.5° | 0.0° |
| H7 | C21 | C22 | H8 | 0.1° | 0.0° |
| H14 | C28 | C29 | H16 | 30.9° | 37.4° |
| H15 | C28 | C29 | H16 | 152.2° | 160.7° |
