T5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N | sing | 1.46Å | 1.45Å | |
| C11 | S | sing | 1.81Å | 1.82Å | |
| N | C9 | sing | 1.35Å | 1.33Å | |
| O1 | C9 | doub | 1.21Å | 1.22Å | |
| C9 | C1 | sing | 1.51Å | 1.51Å | |
| C8 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.43Å | 1.44Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| O | C2 | sing | 1.36Å | 1.38Å | |
| C7 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | F | sing | 1.35Å | 1.34Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| S | H16 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N | 113.4° | 109.5° |
| C10 | C11 | S | 111.3° | 109.5° |
| C11 | C10 | H8 | 108.5° | 109.4° |
| C11 | C10 | H9 | 108.5° | 109.5° |
| C10 | C11 | H10 | 109.0° | 109.5° |
| C10 | C11 | H11 | 109.0° | 109.4° |
| C10 | N | C9 | 121.5° | 120.0° |
| N | C10 | H8 | 108.5° | 109.5° |
| N | C10 | H9 | 108.5° | 109.5° |
| C10 | N | H12 | 119.3° | 120.0° |
| S | C11 | H10 | 109.0° | 109.5° |
| S | C11 | H11 | 109.0° | 109.5° |
| C11 | S | H16 | 102.0° | 103.0° |
| N | C9 | O1 | 122.7° | 119.9° |
| N | C9 | C1 | 117.2° | 120.0° |
| C9 | N | H12 | 119.3° | 120.0° |
| O1 | C9 | C1 | 120.1° | 120.0° |
| C9 | C1 | C8 | 107.9° | 109.5° |
| C9 | C1 | O | 112.2° | 109.5° |
| C9 | C1 | C | 110.0° | 109.5° |
| C8 | C1 | O | 106.4° | 109.5° |
| C8 | C1 | C | 109.4° | 109.5° |
| C1 | C8 | H5 | 109.5° | 109.4° |
| C1 | C8 | H6 | 109.5° | 109.4° |
| C1 | C8 | H7 | 109.4° | 109.5° |
| O | C1 | C | 110.7° | 109.5° |
| C1 | O | C2 | 127.2° | 117.0° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.4° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| O | C2 | C7 | 122.6° | 120.0° |
| O | C2 | C3 | 118.2° | 120.1° |
| C2 | C7 | C6 | 120.3° | 120.0° |
| C7 | C2 | C3 | 119.1° | 119.9° |
| C2 | C7 | H1 | 119.9° | 120.0° |
| C7 | C6 | C5 | 120.0° | 120.0° |
| C6 | C7 | H1 | 119.8° | 120.0° |
| C7 | C6 | H4 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | F | 119.9° | 120.0° |
| C5 | C6 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.1° | 120.1° |
| C4 | C5 | F | 119.8° | 119.9° |
| C5 | C4 | H3 | 120.2° | 120.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N | H8 | 120.5° | 120.0° |
| C11 | C10 | N | H9 | 120.6° | 120.0° |
| C10 | C11 | S | H10 | 120.3° | 120.0° |
| C10 | C11 | S | H11 | 120.3° | 120.0° |
| C11 | C10 | N | C9 | 90.9° | 180.0° |
| C11 | C10 | H8 | H9 | 118.2° | 120.0° |
| C10 | C11 | H10 | H11 | 119.2° | 120.0° |
| C11 | C10 | N | H12 | 89.1° | 0.0° |
| C10 | C11 | S | H16 | 180.0° | 180.0° |
| N | C10 | C11 | S | 73.6° | 180.0° |
| C10 | N | C9 | H12 | 180.0° | 180.0° |
| C10 | N | C9 | O1 | 2.0° | 0.1° |
| C10 | N | C9 | C1 | 178.1° | 180.0° |
| N | C10 | H8 | H9 | 118.2° | 120.0° |
| N | C10 | C11 | H10 | 46.7° | 60.0° |
| N | C10 | C11 | H11 | 166.1° | 60.0° |
| S | C11 | C10 | H8 | 46.9° | 60.0° |
| S | C11 | C10 | H9 | 165.8° | 60.0° |
| S | C11 | H10 | H11 | 119.2° | 120.1° |
| N | C9 | O1 | C1 | 179.9° | 179.9° |
| N | C9 | C1 | C8 | 93.3° | 60.0° |
| N | C9 | C1 | O | 23.7° | 180.0° |
| N | C9 | C1 | C | 147.5° | 60.0° |
| C9 | N | C10 | H8 | 148.6° | 60.0° |
| C9 | N | C10 | H9 | 29.7° | 59.9° |
| O1 | C9 | C1 | C8 | 86.6° | 120.0° |
| O1 | C9 | C1 | O | 156.4° | 0.0° |
| O1 | C9 | C1 | C | 32.6° | 120.0° |
| O1 | C9 | N | H12 | 177.9° | 180.0° |
| C9 | C1 | C8 | O | 120.7° | 120.0° |
| C9 | C1 | C8 | C | 119.6° | 120.0° |
| C9 | C1 | O | C | 123.4° | 120.0° |
| C9 | C1 | O | C2 | 68.2° | 61.4° |
| C9 | C1 | C8 | H5 | 180.0° | 175.9° |
| C9 | C1 | C8 | H6 | 60.0° | 64.2° |
| C9 | C1 | C8 | H7 | 60.0° | 55.8° |
| C1 | C9 | N | H12 | 2.0° | 0.0° |
| C9 | C1 | C | H13 | 180.0° | 67.3° |
| C9 | C1 | C | H14 | 60.0° | 52.7° |
| C9 | C1 | C | H15 | 60.0° | 172.7° |
| C8 | C1 | O | C | 118.8° | 120.0° |
| C8 | C1 | O | C2 | 173.9° | 178.6° |
| C1 | C8 | H5 | H6 | 120.0° | 119.9° |
| C1 | C8 | H5 | H7 | 120.0° | 120.0° |
| C1 | C8 | H6 | H7 | 119.9° | 120.0° |
| C8 | C1 | C | H13 | 61.6° | 172.7° |
| C8 | C1 | C | H14 | 58.4° | 67.3° |
| C8 | C1 | C | H15 | 178.4° | 52.7° |
| C1 | O | C2 | C7 | 27.9° | 174.3° |
| C1 | O | C2 | C3 | 153.5° | 5.7° |
| O | C1 | C8 | H5 | 59.3° | 55.9° |
| O | C1 | C8 | H6 | 60.7° | 175.8° |
| O | C1 | C8 | H7 | 179.3° | 64.2° |
| O | C1 | C | H13 | 55.4° | 52.7° |
| O | C1 | C | H14 | 175.4° | 172.7° |
| O | C1 | C | H15 | 64.7° | 67.3° |
| C | C1 | O | C2 | 55.1° | 58.6° |
| C | C1 | C8 | H5 | 60.4° | 64.1° |
| C | C1 | C8 | H6 | 179.6° | 55.8° |
| C | C1 | C8 | H7 | 59.7° | 175.8° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| O | C2 | C7 | C3 | 178.5° | 180.0° |
| O | C2 | C7 | C6 | 178.9° | 180.0° |
| O | C2 | C3 | C4 | 179.1° | 180.0° |
| O | C2 | C7 | H1 | 1.1° | 0.3° |
| O | C2 | C3 | H2 | 1.0° | 0.0° |
| C2 | C7 | C6 | H1 | 180.0° | 179.6° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.0° |
| C7 | C2 | C3 | H2 | 179.5° | 180.0° |
| C2 | C7 | C6 | H4 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.4° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.4° | 0.1° |
| C7 | C6 | C5 | F | 179.8° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C7 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C6 | C5 | C4 | F | 179.4° | 179.9° |
| C5 | C6 | C7 | H1 | 180.0° | 179.7° |
| C6 | C5 | C4 | H3 | 179.7° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | F | 179.7° | 180.0° |
| C5 | C4 | C3 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | H4 | 179.6° | 180.0° |
| F | C5 | C4 | H3 | 0.3° | 0.1° |
| F | C5 | C6 | H4 | 0.2° | 0.1° |
| H1 | C7 | C6 | H4 | 0.0° | 0.4° |
| H2 | C3 | C4 | H3 | 0.1° | 0.1° |
| H5 | C8 | H6 | H7 | 120.0° | 120.1° |
| H8 | C10 | C11 | H10 | 167.2° | 60.0° |
| H8 | C10 | C11 | H11 | 73.3° | 180.0° |
| H8 | C10 | N | H12 | 31.4° | 120.0° |
| H9 | C10 | C11 | H10 | 73.9° | 180.0° |
| H9 | C10 | C11 | H11 | 45.6° | 60.0° |
| H9 | C10 | N | H12 | 150.3° | 120.0° |
| H10 | C11 | S | H16 | 59.7° | 60.0° |
| H11 | C11 | S | H16 | 59.7° | 60.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
