T4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.34Å | 1.35Å | Aromatic |
| N | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.42Å | 1.44Å | Aromatic |
| C13 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.49Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.47Å | 1.49Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C | doub | 1.22Å | 1.23Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C | O | sing | 1.35Å | 1.30Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | CL | sing | 1.74Å | 1.75Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| O | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C12 | C11 | 110.1° | 109.7° |
| C12 | N | C13 | 109.0° | 108.8° |
| C12 | N | H6 | 125.5° | 125.6° |
| N | C12 | H7 | 125.0° | 125.2° |
| C12 | C11 | C10 | 106.7° | 107.9° |
| C11 | C12 | H7 | 124.9° | 125.2° |
| C12 | C11 | H8 | 126.6° | 126.1° |
| N | C13 | C10 | 107.3° | 106.9° |
| N | C13 | C14 | 130.7° | 133.2° |
| C13 | N | H6 | 125.5° | 125.6° |
| C11 | C10 | C13 | 106.9° | 106.7° |
| C11 | C10 | C3 | 134.0° | 133.5° |
| C10 | C11 | H8 | 126.7° | 126.0° |
| C10 | C13 | C14 | 121.9° | 119.9° |
| C13 | C10 | C3 | 118.8° | 119.9° |
| C13 | C14 | C1 | 118.9° | 120.0° |
| C13 | C14 | H9 | 120.6° | 120.0° |
| C10 | C3 | C4 | 123.1° | 120.1° |
| C10 | C3 | C2 | 118.9° | 119.7° |
| C14 | C1 | C2 | 119.9° | 120.4° |
| C14 | C1 | C | 120.2° | 119.8° |
| C1 | C14 | H9 | 120.6° | 120.0° |
| C4 | C3 | C2 | 118.0° | 120.2° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C3 | C4 | C9 | 121.4° | 120.1° |
| C3 | C2 | C1 | 121.6° | 120.2° |
| C3 | C2 | H1 | 119.2° | 119.9° |
| C2 | C1 | C | 119.4° | 119.8° |
| C1 | C2 | H1 | 119.2° | 119.9° |
| C1 | C | O1 | 122.4° | 120.0° |
| C1 | C | O | 114.6° | 120.0° |
| C4 | C5 | C6 | 121.4° | 119.8° |
| C5 | C4 | C9 | 117.9° | 119.8° |
| C4 | C5 | H3 | 119.3° | 120.0° |
| C5 | C6 | C7 | 118.9° | 120.2° |
| C5 | C6 | H2 | 120.5° | 119.9° |
| C6 | C5 | H3 | 119.3° | 120.1° |
| C4 | C9 | C8 | 121.4° | 119.8° |
| C4 | C9 | H5 | 119.3° | 120.1° |
| O1 | C | O | 122.7° | 120.0° |
| C6 | C7 | C8 | 121.5° | 120.2° |
| C6 | C7 | CL | 119.4° | 119.9° |
| C7 | C6 | H2 | 120.5° | 119.9° |
| C | O | H10 | 109.5° | 117.0° |
| C9 | C8 | C7 | 118.9° | 120.2° |
| C9 | C8 | H4 | 120.5° | 120.0° |
| C8 | C9 | H5 | 119.3° | 120.1° |
| C8 | C7 | CL | 119.1° | 119.9° |
| C7 | C8 | H4 | 120.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | N | C13 | H6 | 180.0° | 179.9° |
| N | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | N | C13 | C10 | 0.7° | 0.0° |
| C12 | N | C13 | C14 | 175.7° | 180.0° |
| N | C12 | C11 | H8 | 179.8° | 179.9° |
| C11 | C12 | N | C13 | 0.3° | 0.0° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | C13 | 0.6° | 0.0° |
| C12 | C11 | C10 | C3 | 174.3° | 180.0° |
| C11 | C12 | N | H6 | 179.6° | 180.0° |
| N | C13 | C10 | C11 | 0.8° | 0.0° |
| N | C13 | C10 | C14 | 176.8° | 180.0° |
| N | C13 | C10 | C3 | 175.7° | 180.0° |
| N | C13 | C14 | C1 | 175.0° | 179.7° |
| C13 | N | C12 | H7 | 179.7° | 180.0° |
| N | C13 | C14 | H9 | 5.1° | 0.0° |
| C11 | C10 | C13 | C3 | 174.9° | 180.0° |
| C11 | C10 | C13 | C14 | 176.0° | 180.0° |
| C11 | C10 | C3 | C4 | 8.5° | 0.1° |
| C11 | C10 | C3 | C2 | 172.6° | 180.0° |
| C10 | C11 | C12 | H7 | 179.8° | 180.0° |
| C10 | C13 | C14 | C1 | 0.9° | 0.3° |
| C13 | C10 | C3 | C4 | 178.3° | 180.0° |
| C13 | C10 | C3 | C2 | 0.6° | 0.1° |
| C10 | C13 | N | H6 | 179.3° | 180.0° |
| C13 | C10 | C11 | H8 | 179.4° | 179.9° |
| C10 | C13 | C14 | H9 | 179.0° | 180.0° |
| C14 | C13 | C10 | C3 | 1.1° | 0.0° |
| C13 | C14 | C1 | H9 | 180.0° | 179.7° |
| C13 | C14 | C1 | C2 | 0.9° | 0.5° |
| C13 | C14 | C1 | C | 171.9° | 180.0° |
| C14 | C13 | N | H6 | 4.4° | 0.1° |
| C10 | C3 | C4 | C2 | 178.9° | 179.9° |
| C10 | C3 | C2 | C1 | 2.4° | 0.3° |
| C10 | C3 | C4 | C5 | 53.2° | 49.8° |
| C10 | C3 | C4 | C9 | 126.5° | 130.0° |
| C10 | C3 | C2 | H1 | 177.6° | 180.0° |
| C3 | C10 | C11 | H8 | 5.6° | 0.1° |
| C14 | C1 | C2 | C3 | 2.6° | 0.6° |
| C14 | C1 | C2 | C | 172.8° | 179.5° |
| C14 | C1 | C | O1 | 9.2° | 180.0° |
| C14 | C1 | C | O | 176.6° | 0.0° |
| C14 | C1 | C2 | H1 | 177.4° | 179.8° |
| C4 | C3 | C2 | C1 | 176.5° | 179.7° |
| C3 | C4 | C5 | C9 | 179.8° | 179.8° |
| C3 | C4 | C5 | C6 | 178.9° | 179.7° |
| C3 | C4 | C9 | C8 | 178.9° | 179.7° |
| C4 | C3 | C2 | H1 | 3.5° | 0.0° |
| C3 | C4 | C5 | H3 | 1.1° | 0.2° |
| C3 | C4 | C9 | H5 | 1.1° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 170.3° | 180.0° |
| C2 | C3 | C4 | C5 | 127.9° | 130.3° |
| C2 | C3 | C4 | C9 | 52.4° | 49.9° |
| C2 | C1 | C | O1 | 163.6° | 0.6° |
| C2 | C1 | C | O | 10.6° | 179.5° |
| C2 | C1 | C14 | H9 | 179.2° | 179.7° |
| C1 | C | O1 | O | 173.8° | 179.9° |
| C | C1 | C2 | H1 | 9.7° | 0.3° |
| C | C1 | C14 | H9 | 8.1° | 0.3° |
| C1 | C | O | H10 | 174.2° | 179.9° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C9 | C8 | 0.9° | 0.0° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C5 | C4 | C9 | H5 | 179.1° | 180.0° |
| C6 | C5 | C4 | C9 | 0.9° | 0.1° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.1° | 0.1° |
| C5 | C6 | C7 | CL | 179.3° | 180.0° |
| C4 | C9 | C8 | H5 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C4 | C5 | H3 | 179.1° | 180.0° |
| C4 | C9 | C8 | H4 | 179.9° | 179.9° |
| O1 | C | O | H10 | 0.0° | 0.1° |
| C6 | C7 | C8 | C9 | 1.1° | 0.1° |
| C6 | C7 | C8 | CL | 179.6° | 179.9° |
| C7 | C6 | C5 | H3 | 179.9° | 180.0° |
| C6 | C7 | C8 | H4 | 178.9° | 179.9° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | CL | 179.3° | 180.0° |
| C8 | C7 | C6 | H2 | 178.9° | 180.0° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| CL | C7 | C6 | H2 | 0.7° | 0.0° |
| CL | C7 | C8 | H4 | 0.7° | 0.1° |
| H2 | C6 | C5 | H3 | 0.1° | 0.0° |
| H4 | C8 | C9 | H5 | 0.1° | 0.1° |
| H6 | N | C12 | H7 | 0.3° | 0.0° |
| H7 | C12 | C11 | H8 | 0.2° | 0.1° |
