T30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F21 | C18 | sing | 1.35Å | 1.35Å | |
| C18 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N6 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | N6 | sing | 1.46Å | 1.49Å | |
| N6 | C10 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| N12 | N7 | sing | 1.29Å | 1.40Å | Aromatic |
| C10 | N12 | doub | 1.31Å | 1.36Å | Aromatic |
| C15 | C10 | sing | 1.48Å | 1.48Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| O25 | C24 | sing | 1.36Å | 1.38Å | |
| C26 | O25 | sing | 1.43Å | 1.44Å | |
| F27 | C26 | sing | 1.40Å | 1.32Å | |
| C26 | F29 | sing | 1.40Å | 1.32Å | |
| C26 | F28 | sing | 1.40Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F21 | C18 | C13 | 120.3° | 120.0° |
| F21 | C18 | C14 | 120.2° | 120.0° |
| C13 | C18 | C14 | 119.6° | 119.9° |
| C18 | C13 | C8 | 120.0° | 120.0° |
| C18 | C13 | H13 | 120.0° | 120.0° |
| C18 | C14 | C9 | 120.3° | 119.9° |
| C18 | C14 | H14 | 119.8° | 120.0° |
| C9 | C14 | H14 | 119.9° | 120.1° |
| C14 | C9 | C3 | 120.1° | 120.1° |
| C14 | C9 | H9 | 119.9° | 120.0° |
| C3 | C9 | H9 | 120.0° | 120.0° |
| C9 | C3 | C8 | 119.8° | 120.1° |
| C9 | C3 | C1 | 119.4° | 120.0° |
| C8 | C13 | H13 | 120.0° | 120.0° |
| C13 | C8 | C3 | 120.2° | 120.0° |
| C13 | C8 | H8 | 119.9° | 120.0° |
| C3 | C8 | H8 | 119.9° | 120.0° |
| C8 | C3 | C1 | 120.8° | 119.9° |
| C3 | C1 | C2 | 117.8° | 115.6° |
| C3 | C1 | C5 | 119.8° | 117.5° |
| C3 | C1 | C4 | 112.7° | 117.5° |
| C2 | C1 | C5 | 118.3° | 117.5° |
| C2 | C1 | C4 | 113.7° | 117.5° |
| C1 | C2 | N6 | 123.9° | 126.3° |
| C1 | C2 | N7 | 121.0° | 126.3° |
| C5 | C1 | C4 | 60.1° | 60.0° |
| C1 | C5 | C4 | 60.1° | 60.0° |
| C1 | C5 | H5 | 130.8° | 117.5° |
| C1 | C5 | H5A | 135.9° | 117.5° |
| C1 | C4 | C5 | 59.7° | 60.0° |
| C1 | C4 | H4 | 131.0° | 117.5° |
| C1 | C4 | H4A | 136.1° | 117.5° |
| C5 | C4 | H4 | 131.0° | 117.5° |
| C5 | C4 | H4A | 136.1° | 117.5° |
| C4 | C5 | H5 | 130.8° | 117.5° |
| C4 | C5 | H5A | 135.9° | 117.5° |
| H4 | C4 | H4A | 74.5° | 115.5° |
| H5 | C5 | H5A | 74.8° | 115.6° |
| N6 | C2 | N7 | 115.1° | 107.4° |
| C2 | N6 | C11 | 128.3° | 127.1° |
| C2 | N6 | C10 | 104.0° | 105.8° |
| C2 | N7 | N12 | 102.3° | 110.1° |
| C11 | N6 | C10 | 127.6° | 127.1° |
| N6 | C11 | C17 | 111.5° | 109.5° |
| N6 | C11 | C16 | 111.1° | 109.5° |
| N6 | C11 | H11 | 107.1° | 109.5° |
| N6 | C10 | N12 | 110.0° | 107.0° |
| N6 | C10 | C15 | 128.0° | 126.5° |
| C17 | C11 | C16 | 110.0° | 109.5° |
| C17 | C11 | H11 | 108.3° | 109.4° |
| C11 | C17 | H17 | 109.5° | 109.5° |
| C11 | C17 | H17A | 109.5° | 109.5° |
| C11 | C17 | H17B | 109.5° | 109.5° |
| C16 | C11 | H11 | 108.7° | 109.5° |
| C11 | C16 | H16 | 109.5° | 109.5° |
| C11 | C16 | H16A | 109.4° | 109.4° |
| C11 | C16 | H16B | 109.4° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.4° | 109.4° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| N7 | N12 | C10 | 108.6° | 109.7° |
| N12 | C10 | C15 | 122.0° | 126.5° |
| C10 | C15 | C20 | 118.2° | 120.1° |
| C10 | C15 | C19 | 120.7° | 120.1° |
| C20 | C15 | C19 | 121.0° | 119.8° |
| C15 | C20 | C23 | 120.6° | 119.9° |
| C15 | C20 | H20 | 119.7° | 120.0° |
| C15 | C19 | C22 | 118.2° | 119.9° |
| C15 | C19 | H19 | 120.9° | 120.0° |
| C22 | C19 | H19 | 120.9° | 120.1° |
| C19 | C22 | C24 | 121.1° | 120.1° |
| C19 | C22 | H22 | 119.5° | 120.0° |
| C24 | C22 | H22 | 119.5° | 119.9° |
| C22 | C24 | C23 | 120.1° | 120.1° |
| C22 | C24 | O25 | 120.7° | 119.9° |
| C23 | C20 | H20 | 119.7° | 120.1° |
| C20 | C23 | C24 | 119.0° | 120.1° |
| C20 | C23 | H23 | 120.5° | 119.9° |
| C24 | C23 | H23 | 120.5° | 120.0° |
| C23 | C24 | O25 | 119.2° | 119.9° |
| C24 | O25 | C26 | 122.6° | 117.0° |
| O25 | C26 | F27 | 110.8° | 109.5° |
| O25 | C26 | F29 | 111.6° | 109.5° |
| O25 | C26 | F28 | 108.1° | 109.5° |
| F27 | C26 | F29 | 109.1° | 109.5° |
| F27 | C26 | F28 | 107.6° | 109.4° |
| F29 | C26 | F28 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F21 | C18 | C13 | C14 | 179.6° | 179.7° |
| F21 | C18 | C14 | C9 | 179.9° | 180.0° |
| F21 | C18 | C14 | H14 | 0.1° | 0.0° |
| F21 | C18 | C13 | C8 | 179.6° | 180.0° |
| F21 | C18 | C13 | H13 | 0.4° | 0.1° |
| C13 | C18 | C14 | C9 | 0.5° | 0.2° |
| C13 | C18 | C14 | H14 | 179.5° | 179.7° |
| C18 | C13 | C8 | H13 | 180.0° | 180.0° |
| C18 | C13 | C8 | C3 | 0.5° | 0.0° |
| C18 | C13 | C8 | H8 | 179.5° | 180.0° |
| C18 | C14 | C9 | H14 | 180.0° | 179.9° |
| C18 | C14 | C9 | C3 | 0.6° | 0.1° |
| C18 | C14 | C9 | H9 | 179.4° | 180.0° |
| C14 | C18 | C13 | C8 | 0.0° | 0.3° |
| C14 | C18 | C13 | H13 | 180.0° | 179.8° |
| C14 | C9 | C3 | H9 | 180.0° | 179.9° |
| C14 | C9 | C3 | C8 | 0.2° | 0.3° |
| C14 | C9 | C3 | C1 | 179.5° | 180.0° |
| H14 | C14 | C9 | C3 | 179.4° | 180.0° |
| H14 | C14 | C9 | H9 | 0.6° | 0.1° |
| C9 | C3 | C8 | C13 | 0.4° | 0.3° |
| C9 | C3 | C8 | C1 | 179.6° | 179.7° |
| C9 | C3 | C8 | H8 | 179.6° | 179.7° |
| C9 | C3 | C1 | C2 | 53.6° | 40.5° |
| C9 | C3 | C1 | C5 | 149.4° | 173.9° |
| C9 | C3 | C1 | C4 | 81.9° | 105.2° |
| H9 | C9 | C3 | C8 | 179.8° | 179.7° |
| H9 | C9 | C3 | C1 | 0.5° | 0.0° |
| C13 | C8 | C3 | H8 | 180.0° | 180.0° |
| C13 | C8 | C3 | C1 | 180.0° | 180.0° |
| H13 | C13 | C8 | C3 | 179.6° | 180.0° |
| H13 | C13 | C8 | H8 | 0.4° | 0.0° |
| C8 | C3 | C1 | C2 | 126.1° | 139.8° |
| C8 | C3 | C1 | C5 | 31.0° | 5.9° |
| C8 | C3 | C1 | C4 | 98.4° | 74.5° |
| H8 | C8 | C3 | C1 | 0.0° | 0.0° |
| C3 | C1 | C2 | C5 | 157.4° | 145.7° |
| C3 | C1 | C2 | C4 | 135.1° | 145.7° |
| C3 | C1 | C5 | C4 | 100.5° | 107.5° |
| C3 | C1 | C4 | H4 | 127.6° | 145.0° |
| C3 | C1 | C4 | H4A | 14.3° | 0.0° |
| C3 | C1 | C5 | H5 | 19.5° | 0.0° |
| C3 | C1 | C5 | H5A | 132.7° | 145.0° |
| C3 | C1 | C2 | N6 | 60.6° | 66.9° |
| C3 | C1 | C2 | N7 | 117.1° | 112.7° |
| C2 | C1 | C5 | C4 | 102.6° | 107.5° |
| C2 | C1 | C4 | H4 | 9.9° | 0.0° |
| C2 | C1 | C4 | H4A | 123.2° | 145.0° |
| C2 | C1 | C5 | H5 | 137.4° | 145.0° |
| C2 | C1 | C5 | H5A | 24.2° | 0.0° |
| C1 | C2 | N6 | N7 | 177.8° | 179.7° |
| C1 | C2 | N6 | C11 | 2.0° | 0.0° |
| C1 | C2 | N6 | C10 | 179.4° | 179.9° |
| C1 | C2 | N7 | N12 | 179.1° | 180.0° |
| C1 | C5 | C4 | H5 | 120.0° | 107.5° |
| C1 | C5 | C4 | H5A | 126.7° | 107.5° |
| C5 | C1 | C4 | H4 | 120.0° | 107.5° |
| C5 | C1 | C4 | H4A | 126.7° | 107.5° |
| C1 | C5 | H5 | H5A | 138.5° | 145.6° |
| C5 | C1 | C2 | N6 | 96.8° | 78.7° |
| C5 | C1 | C2 | N7 | 85.6° | 101.6° |
| C1 | C4 | H4 | H4A | 138.7° | 145.7° |
| C4 | C1 | C2 | N6 | 164.4° | 147.4° |
| C4 | C1 | C2 | N7 | 18.0° | 33.0° |
| C5 | C4 | H4 | H4A | 138.7° | 145.7° |
| C4 | C5 | H5 | H5A | 138.6° | 145.8° |
| H4 | C4 | C5 | H5 | 120.0° | 145.1° |
| H4 | C4 | C5 | H5A | 6.7° | 0.0° |
| H4A | C4 | C5 | H5 | 6.7° | 0.0° |
| H4A | C4 | C5 | H5A | 106.6° | 145.0° |
| C2 | N6 | C11 | C10 | 178.3° | 179.9° |
| C2 | N6 | C11 | C17 | 90.2° | 67.2° |
| C2 | N6 | C11 | C16 | 146.7° | 52.8° |
| C2 | N6 | C11 | H11 | 28.1° | 172.8° |
| N6 | C2 | N7 | N12 | 1.2° | 0.3° |
| C2 | N6 | C10 | N12 | 1.3° | 0.1° |
| C2 | N6 | C10 | C15 | 178.9° | 179.9° |
| N7 | C2 | N6 | C11 | 179.8° | 179.7° |
| N7 | C2 | N6 | C10 | 1.6° | 0.2° |
| C2 | N7 | N12 | C10 | 0.3° | 0.2° |
| N6 | C11 | C17 | C16 | 123.7° | 120.0° |
| N6 | C11 | C17 | H11 | 117.6° | 120.0° |
| N6 | C11 | C16 | H11 | 117.7° | 120.0° |
| N6 | C11 | C16 | H16 | 40.0° | 60.0° |
| N6 | C11 | C16 | H16A | 160.0° | 180.0° |
| N6 | C11 | C16 | H16B | 80.0° | 60.0° |
| N6 | C11 | C17 | H17 | 108.1° | 50.5° |
| N6 | C11 | C17 | H17A | 132.0° | 170.4° |
| N6 | C11 | C17 | H17B | 12.0° | 69.5° |
| C11 | N6 | C10 | N12 | 179.9° | 179.8° |
| C11 | N6 | C10 | C15 | 2.5° | 0.1° |
| C10 | N6 | C11 | C17 | 91.5° | 112.7° |
| C10 | N6 | C11 | C16 | 31.5° | 127.3° |
| C10 | N6 | C11 | H11 | 150.1° | 7.3° |
| N6 | C10 | N12 | N7 | 0.6° | 0.0° |
| N6 | C10 | N12 | C15 | 177.8° | 179.9° |
| N6 | C10 | C15 | C20 | 48.5° | 35.6° |
| N6 | C10 | C15 | C19 | 133.6° | 144.6° |
| C17 | C11 | C16 | H11 | 118.4° | 120.0° |
| C17 | C11 | C16 | H16 | 164.0° | 60.0° |
| C17 | C11 | C16 | H16A | 76.1° | 60.0° |
| C17 | C11 | C16 | H16B | 43.9° | 180.0° |
| C11 | C17 | H17 | H17A | 120.0° | 120.0° |
| C11 | C17 | H17 | H17B | 120.0° | 120.0° |
| C11 | C17 | H17A | H17B | 120.0° | 120.0° |
| C11 | C16 | H16 | H16A | 120.0° | 120.0° |
| C11 | C16 | H16 | H16B | 120.0° | 120.0° |
| C11 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C11 | C17 | H17 | 15.6° | 170.5° |
| C16 | C11 | C17 | H17A | 104.3° | 69.6° |
| C16 | C11 | C17 | H17B | 135.7° | 50.5° |
| H11 | C11 | C16 | H16 | 77.6° | 180.0° |
| H11 | C11 | C16 | H16A | 42.4° | 60.0° |
| H11 | C11 | C16 | H16B | 162.4° | 60.0° |
| H11 | C11 | C17 | H17 | 134.3° | 69.5° |
| H11 | C11 | C17 | H17A | 14.3° | 50.4° |
| H11 | C11 | C17 | H17B | 105.7° | 170.5° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| N7 | N12 | C10 | C15 | 178.4° | 179.9° |
| N12 | C10 | C15 | C20 | 128.8° | 144.5° |
| N12 | C10 | C15 | C19 | 49.1° | 35.3° |
| C10 | C15 | C20 | C19 | 177.9° | 179.8° |
| C10 | C15 | C19 | C22 | 178.9° | 180.0° |
| C10 | C15 | C19 | H19 | 1.1° | 0.0° |
| C10 | C15 | C20 | C23 | 178.9° | 180.0° |
| C10 | C15 | C20 | H20 | 1.1° | 0.0° |
| C20 | C15 | C19 | C22 | 1.1° | 0.2° |
| C20 | C15 | C19 | H19 | 178.9° | 179.7° |
| C15 | C20 | C23 | H20 | 180.0° | 180.0° |
| C15 | C20 | C23 | C24 | 0.8° | 0.0° |
| C15 | C20 | C23 | H23 | 179.3° | 180.0° |
| C15 | C19 | C22 | H19 | 180.0° | 180.0° |
| C15 | C19 | C22 | C24 | 0.9° | 0.1° |
| C15 | C19 | C22 | H22 | 179.1° | 180.0° |
| C19 | C15 | C20 | C23 | 1.0° | 0.2° |
| C19 | C15 | C20 | H20 | 179.0° | 179.8° |
| C19 | C22 | C24 | H22 | 180.0° | 179.9° |
| C19 | C22 | C24 | C23 | 0.7° | 0.4° |
| C19 | C22 | C24 | O25 | 179.4° | 180.0° |
| H19 | C19 | C22 | C24 | 179.1° | 179.9° |
| H19 | C19 | C22 | H22 | 0.9° | 0.0° |
| C22 | C24 | C23 | C20 | 0.6° | 0.3° |
| C22 | C24 | C23 | O25 | 179.9° | 179.6° |
| C22 | C24 | C23 | H23 | 179.4° | 179.7° |
| C22 | C24 | O25 | C26 | 94.4° | 0.4° |
| H22 | C22 | C24 | C23 | 179.3° | 179.7° |
| H22 | C22 | C24 | O25 | 0.6° | 0.1° |
| C20 | C23 | C24 | H23 | 180.0° | 180.0° |
| C20 | C23 | C24 | O25 | 179.5° | 180.0° |
| H20 | C20 | C23 | C24 | 179.2° | 180.0° |
| H20 | C20 | C23 | H23 | 0.8° | 0.0° |
| C23 | C24 | O25 | C26 | 85.7° | 180.0° |
| H23 | C23 | C24 | O25 | 0.4° | 0.0° |
| C24 | O25 | C26 | F27 | 144.2° | 180.0° |
| C24 | O25 | C26 | F29 | 22.4° | 60.0° |
| C24 | O25 | C26 | F28 | 98.1° | 60.0° |
| O25 | C26 | F27 | F29 | 123.2° | 120.0° |
| O25 | C26 | F27 | F28 | 118.0° | 120.0° |
| O25 | C26 | F29 | F28 | 119.7° | 120.1° |
| F27 | C26 | F29 | F28 | 117.5° | 119.9° |
