TNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.34Å | |
| N | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C8 | doub | 1.33Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | CL | sing | 1.74Å | 1.73Å | |
| C14 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 117.7° | 117.0° |
| O | C | H9 | 109.5° | 109.5° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| O | C1 | N | 116.5° | 118.6° |
| O | C1 | N1 | 115.3° | 118.6° |
| C1 | N | C2 | 114.6° | 120.4° |
| N | C1 | N1 | 128.2° | 122.9° |
| N | C2 | C3 | 119.0° | 121.9° |
| N | C2 | C7 | 122.2° | 118.8° |
| C1 | N1 | C8 | 116.9° | 121.4° |
| C2 | C3 | C4 | 120.6° | 119.6° |
| C3 | C2 | C7 | 118.8° | 119.3° |
| C2 | C3 | H1 | 119.7° | 120.2° |
| C3 | C4 | C5 | 119.4° | 121.0° |
| C4 | C3 | H1 | 119.7° | 120.2° |
| C3 | C4 | H7 | 120.3° | 119.5° |
| C2 | C7 | C8 | 116.1° | 118.2° |
| C2 | C7 | C6 | 119.2° | 119.7° |
| N1 | C8 | C7 | 122.1° | 118.2° |
| N1 | C8 | C9 | 116.4° | 120.9° |
| C4 | C5 | C6 | 122.4° | 120.9° |
| C4 | C5 | CL | 119.5° | 119.5° |
| C5 | C4 | H7 | 120.3° | 119.5° |
| C8 | C7 | C6 | 124.7° | 122.0° |
| C7 | C8 | C9 | 121.5° | 120.9° |
| C7 | C6 | C5 | 119.6° | 119.5° |
| C7 | C6 | H8 | 120.2° | 120.3° |
| C8 | C9 | C14 | 120.7° | 120.1° |
| C8 | C9 | C10 | 121.0° | 120.2° |
| C6 | C5 | CL | 118.1° | 119.6° |
| C5 | C6 | H8 | 120.2° | 120.2° |
| C9 | C14 | C13 | 120.6° | 119.8° |
| C14 | C9 | C10 | 118.4° | 119.7° |
| C9 | C14 | H6 | 119.7° | 120.1° |
| C14 | C13 | C12 | 120.4° | 120.1° |
| C14 | C13 | H5 | 119.8° | 119.9° |
| C13 | C14 | H6 | 119.7° | 120.1° |
| C9 | C10 | C11 | 120.8° | 119.8° |
| C9 | C10 | H2 | 119.6° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.3° |
| C13 | C12 | H4 | 120.0° | 119.9° |
| C12 | C13 | H5 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.2° |
| C11 | C10 | H2 | 119.6° | 120.1° |
| C10 | C11 | H3 | 120.0° | 119.9° |
| C12 | C11 | H3 | 120.0° | 120.0° |
| C11 | C12 | H4 | 120.1° | 119.8° |
| H9 | C | H10 | 109.4° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | N | 0.3° | 0.2° |
| C | O | C1 | N1 | 179.8° | 180.0° |
| O | C | H9 | H10 | 120.0° | 120.0° |
| O | C | H9 | H11 | 120.0° | 120.0° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| O | C1 | N | N1 | 179.4° | 179.8° |
| O | C1 | N | C2 | 180.0° | 179.8° |
| O | C1 | N1 | C8 | 179.5° | 179.8° |
| C1 | O | C | H9 | 180.0° | 60.0° |
| C1 | O | C | H10 | 60.0° | 180.0° |
| C1 | O | C | H11 | 60.0° | 59.9° |
| C1 | N | C2 | C3 | 180.0° | 180.0° |
| C1 | N | C2 | C7 | 0.2° | 0.1° |
| N | C1 | N1 | C8 | 1.0° | 0.0° |
| C2 | N | C1 | N1 | 0.6° | 0.0° |
| N | C2 | C3 | C7 | 179.8° | 179.9° |
| N | C2 | C3 | C4 | 180.0° | 180.0° |
| N | C2 | C7 | C8 | 0.3° | 0.1° |
| N | C2 | C7 | C6 | 179.6° | 179.9° |
| N | C2 | C3 | H1 | 0.0° | 0.1° |
| C1 | N1 | C8 | C7 | 1.1° | 0.0° |
| C1 | N1 | C8 | C9 | 179.9° | 179.9° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | C7 | C8 | 179.9° | 180.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.0° |
| C2 | C3 | C4 | H7 | 179.5° | 180.0° |
| C4 | C3 | C2 | C7 | 0.3° | 0.0° |
| C3 | C4 | C5 | H7 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | CL | 179.1° | 180.0° |
| C2 | C7 | C8 | N1 | 0.8° | 0.1° |
| C2 | C7 | C8 | C6 | 180.0° | 180.0° |
| C2 | C7 | C8 | C9 | 179.7° | 180.0° |
| C2 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C2 | C3 | H1 | 179.7° | 180.0° |
| C2 | C7 | C6 | H8 | 179.7° | 180.0° |
| N1 | C8 | C7 | C9 | 178.9° | 179.9° |
| N1 | C8 | C7 | C6 | 179.2° | 180.0° |
| N1 | C8 | C9 | C14 | 66.7° | 44.1° |
| N1 | C8 | C9 | C10 | 113.9° | 135.6° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | CL | 179.5° | 179.9° |
| C5 | C4 | C3 | H1 | 179.5° | 180.0° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 179.8° | 179.9° |
| C7 | C8 | C9 | C14 | 112.3° | 136.0° |
| C7 | C8 | C9 | C10 | 67.1° | 44.3° |
| C8 | C7 | C6 | H8 | 0.2° | 0.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C7 | C6 | C5 | H8 | 180.0° | 179.9° |
| C7 | C6 | C5 | CL | 179.5° | 180.0° |
| C8 | C9 | C14 | C10 | 179.4° | 179.7° |
| C8 | C9 | C14 | C13 | 179.6° | 179.7° |
| C8 | C9 | C10 | C11 | 179.4° | 180.0° |
| C8 | C9 | C10 | H2 | 0.6° | 0.1° |
| C8 | C9 | C14 | H6 | 0.4° | 0.0° |
| C6 | C5 | C4 | H7 | 179.7° | 180.0° |
| CL | C5 | C4 | H7 | 0.9° | 0.1° |
| CL | C5 | C6 | H8 | 0.5° | 0.1° |
| C9 | C14 | C13 | H6 | 180.0° | 179.6° |
| C9 | C14 | C13 | C12 | 0.1° | 0.6° |
| C14 | C9 | C10 | C11 | 0.0° | 0.3° |
| C14 | C9 | C10 | H2 | 180.0° | 179.8° |
| C9 | C14 | C13 | H5 | 180.0° | 179.7° |
| C13 | C14 | C9 | C10 | 0.2° | 0.6° |
| C14 | C13 | C12 | H5 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | H4 | 179.8° | 179.7° |
| C9 | C10 | C11 | H2 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | H3 | 179.7° | 180.0° |
| C10 | C9 | C14 | H6 | 179.8° | 179.7° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | H3 | 179.6° | 180.0° |
| C12 | C13 | C14 | H6 | 179.9° | 179.7° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C10 | C11 | C12 | H4 | 179.7° | 180.0° |
| C12 | C11 | C10 | H2 | 179.7° | 179.9° |
| C11 | C12 | C13 | H5 | 179.8° | 180.0° |
| H1 | C3 | C4 | H7 | 0.5° | 0.0° |
| H2 | C10 | C11 | H3 | 0.3° | 0.1° |
| H3 | C11 | C12 | H4 | 0.4° | 0.0° |
| H4 | C12 | C13 | H5 | 0.2° | 0.0° |
| H5 | C13 | C14 | H6 | 0.0° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
