TE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N09 | C07 | sing | 1.38Å | 1.47Å | |
| C07 | N06 | doub | 1.32Å | 1.34Å | Aromatic |
| C07 | N08 | sing | 1.33Å | 1.36Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.32Å | Aromatic |
| N08 | C03 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C10 | sing | 1.48Å | 1.40Å | |
| C05 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.38Å | |
| C03 | C04 | sing | 1.39Å | 1.45Å | Aromatic |
| C03 | O02 | sing | 1.35Å | 1.40Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C07 | N06 | 115.9° | 119.1° |
| N09 | C07 | N08 | 123.0° | 119.1° |
| C07 | N09 | H10 | 109.5° | 120.0° |
| C07 | N09 | H11 | 109.5° | 120.0° |
| N06 | C07 | N08 | 121.0° | 121.8° |
| C07 | N06 | C05 | 121.9° | 120.8° |
| C07 | N08 | C03 | 121.2° | 120.9° |
| N06 | C05 | C10 | 110.8° | 120.5° |
| N06 | C05 | C04 | 120.2° | 119.0° |
| N08 | C03 | C04 | 119.2° | 119.1° |
| N08 | C03 | O02 | 117.0° | 120.4° |
| C14 | C15 | C10 | 121.4° | 119.9° |
| C15 | C14 | C13 | 118.3° | 120.1° |
| C14 | C15 | H2 | 119.3° | 120.0° |
| C15 | C14 | H9 | 120.9° | 120.0° |
| C15 | C10 | C05 | 115.0° | 120.1° |
| C15 | C10 | C11 | 120.7° | 119.8° |
| C10 | C15 | H2 | 119.3° | 120.1° |
| C14 | C13 | C12 | 120.3° | 120.3° |
| C14 | C13 | H1 | 119.8° | 119.8° |
| C13 | C14 | H9 | 120.9° | 120.0° |
| C10 | C05 | C04 | 129.0° | 120.4° |
| C05 | C10 | C11 | 124.3° | 120.1° |
| C05 | C04 | C03 | 116.5° | 118.4° |
| C05 | C04 | H6 | 121.7° | 120.8° |
| C10 | C11 | C12 | 117.9° | 119.9° |
| C10 | C11 | H7 | 121.0° | 120.1° |
| C01 | O02 | C03 | 114.0° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.4° |
| O02 | C01 | H5 | 109.4° | 109.5° |
| C04 | C03 | O02 | 123.9° | 120.4° |
| C03 | C04 | H6 | 121.7° | 120.8° |
| C13 | C12 | C11 | 121.4° | 120.1° |
| C12 | C13 | H1 | 119.8° | 119.9° |
| C13 | C12 | H8 | 119.3° | 119.9° |
| C12 | C11 | H7 | 121.1° | 120.0° |
| C11 | C12 | H8 | 119.3° | 119.9° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H10 | N09 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C07 | N06 | N08 | 178.2° | 179.7° |
| N09 | C07 | N06 | C05 | 179.1° | 180.0° |
| N09 | C07 | N08 | C03 | 179.3° | 179.7° |
| C07 | N09 | H10 | H11 | 120.0° | 179.9° |
| N06 | C07 | N08 | C03 | 1.3° | 0.6° |
| C07 | N06 | C05 | C10 | 179.5° | 180.0° |
| C07 | N06 | C05 | C04 | 0.4° | 0.0° |
| N06 | C07 | N09 | H10 | 0.0° | 0.1° |
| N06 | C07 | N09 | H11 | 120.0° | 180.0° |
| N08 | C07 | N06 | C05 | 0.9° | 0.3° |
| C07 | N08 | C03 | C04 | 1.1° | 0.6° |
| C07 | N08 | C03 | O02 | 179.4° | 179.7° |
| N08 | C07 | N09 | H10 | 178.2° | 179.8° |
| N08 | C07 | N09 | H11 | 61.9° | 0.3° |
| N06 | C05 | C10 | C15 | 1.4° | 179.7° |
| N06 | C05 | C10 | C04 | 179.0° | 180.0° |
| N06 | C05 | C10 | C11 | 177.0° | 0.0° |
| N06 | C05 | C04 | C03 | 0.2° | 0.0° |
| N06 | C05 | C04 | H6 | 179.8° | 180.0° |
| N08 | C03 | C04 | C05 | 0.5° | 0.3° |
| N08 | C03 | O02 | C01 | 16.1° | 0.3° |
| N08 | C03 | C04 | O02 | 179.4° | 179.7° |
| N08 | C03 | C04 | H6 | 179.5° | 179.7° |
| C14 | C15 | C10 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C15 | C10 | C05 | 179.1° | 179.7° |
| C14 | C15 | C10 | C11 | 0.6° | 0.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H1 | 179.9° | 179.9° |
| C10 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C10 | C05 | C11 | 178.5° | 179.7° |
| C15 | C10 | C05 | C04 | 179.6° | 0.3° |
| C15 | C10 | C11 | C12 | 0.9° | 0.0° |
| C15 | C10 | C11 | H7 | 179.1° | 179.9° |
| C10 | C15 | C14 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C14 | C13 | C12 | H8 | 179.7° | 179.9° |
| C10 | C05 | C04 | C03 | 179.1° | 180.0° |
| C05 | C10 | C11 | C12 | 179.3° | 179.7° |
| C05 | C10 | C15 | H2 | 0.9° | 0.3° |
| C10 | C05 | C04 | H6 | 0.9° | 0.0° |
| C05 | C10 | C11 | H7 | 0.7° | 0.3° |
| C04 | C05 | C10 | C11 | 2.0° | 180.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C11 | C10 | C15 | H2 | 179.5° | 180.0° |
| C10 | C11 | C12 | H8 | 179.2° | 179.9° |
| C01 | O02 | C03 | C04 | 163.4° | 180.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C03 | O02 | C01 | H3 | 180.0° | 180.0° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| O02 | C03 | C04 | H6 | 0.0° | 0.0° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | H7 | 179.2° | 179.9° |
| C12 | C13 | C14 | H9 | 179.9° | 180.0° |
| C11 | C12 | C13 | H1 | 179.7° | 179.9° |
| H1 | C13 | C12 | H8 | 0.3° | 0.0° |
| H1 | C13 | C14 | H9 | 0.1° | 0.1° |
| H2 | C15 | C14 | H9 | 0.0° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H7 | C11 | C12 | H8 | 0.8° | 0.0° |
