TE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | doub | 1.22Å | 1.31Å | |
| O3 | C6 | doub | 1.22Å | 1.27Å | |
| F2 | C16 | sing | 1.35Å | 1.34Å | |
| F1 | C9 | sing | 1.35Å | 1.36Å | |
| C8 | C9 | doub | 1.37Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C6 | C4 | sing | 1.47Å | 1.44Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.51Å | |
| C5 | O2 | sing | 1.35Å | 1.30Å | |
| C7 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.41Å | |
| C10 | N4 | sing | 1.39Å | 1.42Å | |
| C10 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N3 | sing | 1.38Å | 1.40Å | |
| C3 | N3 | sing | 1.34Å | 1.43Å | |
| N4 | C13 | sing | 1.47Å | 1.48Å | |
| N4 | C11 | sing | 1.47Å | 1.48Å | |
| C14 | CL1 | sing | 1.74Å | 1.73Å | |
| N3 | C2 | sing | 1.40Å | 1.45Å | |
| C13 | C12 | sing | 1.54Å | 1.55Å | |
| C16 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.54Å | 1.56Å | |
| C2 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | F3 | sing | 1.35Å | 1.35Å | |
| C1 | N1 | sing | 1.39Å | 1.33Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | C4 | 116.7° | 120.0° |
| O1 | C5 | O2 | 126.3° | 120.0° |
| O3 | C6 | C7 | 121.4° | 121.4° |
| O3 | C6 | C4 | 122.3° | 121.4° |
| F2 | C16 | C2 | 120.1° | 120.4° |
| F2 | C16 | C17 | 118.6° | 120.4° |
| F1 | C9 | C8 | 120.0° | 119.8° |
| F1 | C9 | C10 | 119.5° | 119.9° |
| C9 | C8 | C7 | 120.4° | 119.8° |
| C8 | C9 | C10 | 120.5° | 120.3° |
| C9 | C8 | H4 | 119.8° | 120.1° |
| C8 | C7 | C6 | 118.6° | 121.0° |
| C8 | C7 | C15 | 119.2° | 120.3° |
| C7 | C8 | H4 | 119.8° | 120.1° |
| C7 | C6 | C4 | 116.3° | 117.3° |
| C6 | C7 | C15 | 122.1° | 118.6° |
| C6 | C4 | C5 | 122.2° | 120.5° |
| C6 | C4 | C3 | 120.8° | 119.0° |
| C9 | C10 | N4 | 121.4° | 119.7° |
| C9 | C10 | C14 | 120.0° | 120.5° |
| C4 | C5 | O2 | 116.9° | 120.0° |
| C5 | C4 | C3 | 117.0° | 120.5° |
| C5 | O2 | H12 | 109.5° | 117.0° |
| C7 | C15 | C14 | 119.3° | 119.2° |
| C7 | C15 | N3 | 120.0° | 120.3° |
| C4 | C3 | N3 | 121.1° | 122.1° |
| C4 | C3 | H3 | 119.4° | 118.9° |
| N4 | C10 | C14 | 118.5° | 119.7° |
| C10 | N4 | C13 | 132.5° | 111.0° |
| C10 | N4 | C11 | 132.1° | 111.0° |
| C10 | C14 | C15 | 120.6° | 119.8° |
| C10 | C14 | CL1 | 117.4° | 120.1° |
| C14 | C15 | N3 | 120.8° | 120.5° |
| C15 | C14 | CL1 | 121.9° | 120.1° |
| C15 | N3 | C3 | 119.5° | 122.7° |
| C15 | N3 | C2 | 123.0° | 118.7° |
| C3 | N3 | C2 | 116.3° | 118.6° |
| N3 | C3 | H3 | 119.5° | 119.0° |
| C13 | N4 | C11 | 95.1° | 87.8° |
| N4 | C13 | C12 | 87.1° | 87.9° |
| N4 | C13 | H9 | 114.7° | 113.5° |
| N4 | C13 | H10 | 114.7° | 113.5° |
| N4 | C11 | C12 | 86.6° | 87.9° |
| N4 | C11 | H6 | 114.8° | 113.5° |
| N4 | C11 | H5 | 114.8° | 113.5° |
| N3 | C2 | C16 | 126.4° | 119.7° |
| N3 | C2 | N2 | 113.5° | 119.6° |
| C13 | C12 | C11 | 88.9° | 83.6° |
| C13 | C12 | O4 | 110.9° | 114.2° |
| C13 | C12 | H7 | 110.9° | 114.3° |
| C12 | C13 | H9 | 114.7° | 113.5° |
| C12 | C13 | H10 | 114.7° | 113.5° |
| C2 | C16 | C17 | 121.3° | 119.3° |
| C16 | C2 | N2 | 118.9° | 120.7° |
| C16 | C17 | C18 | 118.4° | 118.5° |
| C16 | C17 | H11 | 120.8° | 120.7° |
| C11 | C12 | O4 | 120.0° | 114.2° |
| C12 | C11 | H6 | 114.9° | 113.5° |
| C12 | C11 | H5 | 114.9° | 113.5° |
| C11 | C12 | H7 | 110.6° | 114.2° |
| C2 | N2 | C1 | 121.3° | 121.6° |
| O4 | C12 | H7 | 113.0° | 113.3° |
| C12 | O4 | H8 | 109.5° | 114.0° |
| C17 | C18 | C1 | 119.5° | 119.2° |
| C17 | C18 | F3 | 121.9° | 120.4° |
| C18 | C17 | H11 | 120.8° | 120.7° |
| N2 | C1 | C18 | 119.9° | 120.7° |
| N2 | C1 | N1 | 120.0° | 119.7° |
| C1 | C18 | F3 | 118.6° | 120.4° |
| C18 | C1 | N1 | 120.0° | 119.7° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| H2 | N1 | H1 | 109.5° | 120.0° |
| H6 | C11 | H5 | 109.5° | 112.8° |
| H9 | C13 | H10 | 109.5° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | C4 | C6 | 11.3° | 179.9° |
| O1 | C5 | C4 | O2 | 177.4° | 180.0° |
| O1 | C5 | C4 | C3 | 167.2° | 0.0° |
| O1 | C5 | O2 | H12 | 0.0° | 0.0° |
| O3 | C6 | C7 | C8 | 0.7° | 0.0° |
| O3 | C6 | C7 | C4 | 179.9° | 180.0° |
| O3 | C6 | C4 | C5 | 0.0° | 0.1° |
| O3 | C6 | C7 | C15 | 177.7° | 180.0° |
| O3 | C6 | C4 | C3 | 178.5° | 180.0° |
| F2 | C16 | C2 | N3 | 8.7° | 0.1° |
| F2 | C16 | C2 | C17 | 177.2° | 179.6° |
| F2 | C16 | C2 | N2 | 175.4° | 180.0° |
| F2 | C16 | C17 | C18 | 179.8° | 180.0° |
| F2 | C16 | C17 | H11 | 0.3° | 0.3° |
| F1 | C9 | C8 | C10 | 176.2° | 179.9° |
| F1 | C9 | C8 | C7 | 178.3° | 180.0° |
| F1 | C9 | C10 | N4 | 5.3° | 0.0° |
| F1 | C9 | C10 | C14 | 177.1° | 180.0° |
| F1 | C9 | C8 | H4 | 1.7° | 0.3° |
| C9 | C8 | C7 | H4 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 179.9° | 180.0° |
| C9 | C8 | C7 | C15 | 1.4° | 0.0° |
| C8 | C9 | C10 | N4 | 178.4° | 179.9° |
| C8 | C9 | C10 | C14 | 0.9° | 0.1° |
| C8 | C7 | C6 | C15 | 178.4° | 180.0° |
| C8 | C7 | C6 | C4 | 179.3° | 180.0° |
| C7 | C8 | C9 | C10 | 2.1° | 0.1° |
| C8 | C7 | C15 | C14 | 0.4° | 0.0° |
| C8 | C7 | C15 | N3 | 178.0° | 180.0° |
| C7 | C6 | C4 | C5 | 180.0° | 180.0° |
| C7 | C6 | C4 | C3 | 1.6° | 0.1° |
| C6 | C7 | C15 | C14 | 178.0° | 180.0° |
| C6 | C7 | C15 | N3 | 0.4° | 0.0° |
| C6 | C7 | C8 | H4 | 0.1° | 0.3° |
| C6 | C4 | C5 | C3 | 178.5° | 179.9° |
| C6 | C4 | C5 | O2 | 171.3° | 0.1° |
| C4 | C6 | C7 | C15 | 2.3° | 0.0° |
| C6 | C4 | C3 | N3 | 1.8° | 0.1° |
| C6 | C4 | C3 | H3 | 178.2° | 179.9° |
| C9 | C10 | N4 | C14 | 177.6° | 180.0° |
| C9 | C10 | C14 | C15 | 1.0° | 0.0° |
| C9 | C10 | N4 | C13 | 168.1° | 34.1° |
| C9 | C10 | N4 | C11 | 19.5° | 130.0° |
| C9 | C10 | C14 | CL1 | 176.0° | 180.0° |
| C10 | C9 | C8 | H4 | 177.9° | 179.8° |
| C5 | C4 | C3 | N3 | 176.7° | 180.0° |
| C5 | C4 | C3 | H3 | 3.3° | 0.0° |
| C4 | C5 | O2 | H12 | 177.1° | 180.0° |
| O2 | C5 | C4 | C3 | 10.1° | 180.0° |
| C7 | C15 | C14 | C10 | 1.6° | 0.0° |
| C7 | C15 | C14 | N3 | 177.6° | 180.0° |
| C7 | C15 | N3 | C3 | 3.9° | 0.0° |
| C7 | C15 | C14 | CL1 | 175.3° | 180.0° |
| C7 | C15 | N3 | C2 | 171.2° | 179.9° |
| C15 | C7 | C8 | H4 | 178.5° | 179.7° |
| C4 | C3 | N3 | C15 | 4.7° | 0.0° |
| C4 | C3 | N3 | H3 | 180.0° | 180.0° |
| C4 | C3 | N3 | C2 | 172.8° | 180.0° |
| N4 | C10 | C14 | C15 | 176.7° | 180.0° |
| C10 | N4 | C13 | C11 | 174.3° | 111.7° |
| N4 | C10 | C14 | CL1 | 6.4° | 0.0° |
| C10 | N4 | C13 | C12 | 162.5° | 138.7° |
| C10 | N4 | C11 | C12 | 162.7° | 138.7° |
| C10 | N4 | C11 | H6 | 81.5° | 106.5° |
| C10 | N4 | C11 | H5 | 46.8° | 23.9° |
| C10 | N4 | C13 | H9 | 46.5° | 23.9° |
| C10 | N4 | C13 | H10 | 81.6° | 106.5° |
| C10 | C14 | C15 | CL1 | 176.8° | 179.9° |
| C10 | C14 | C15 | N3 | 179.2° | 180.0° |
| C14 | C10 | N4 | C13 | 14.2° | 145.9° |
| C14 | C10 | N4 | C11 | 158.1° | 49.9° |
| C14 | C15 | N3 | C3 | 178.5° | 180.0° |
| C14 | C15 | N3 | C2 | 11.2° | 0.1° |
| C15 | N3 | C3 | C2 | 168.2° | 179.9° |
| N3 | C15 | C14 | CL1 | 2.4° | 0.0° |
| C15 | N3 | C2 | C16 | 137.4° | 92.8° |
| C15 | N3 | C2 | N2 | 55.2° | 87.2° |
| C15 | N3 | C3 | H3 | 175.4° | 180.0° |
| C3 | N3 | C2 | C16 | 54.8° | 87.3° |
| C3 | N3 | C2 | N2 | 112.6° | 92.8° |
| N4 | C13 | C12 | H9 | 116.0° | 114.8° |
| N4 | C13 | C12 | H10 | 116.0° | 114.8° |
| C13 | N4 | C11 | C12 | 11.7° | 27.0° |
| N4 | C13 | C12 | O4 | 110.8° | 139.7° |
| C13 | N4 | C11 | H6 | 104.2° | 141.8° |
| C13 | N4 | C11 | H5 | 127.6° | 87.7° |
| N4 | C13 | C12 | H7 | 122.8° | 87.6° |
| N4 | C13 | H9 | H10 | 130.7° | 130.8° |
| N4 | C11 | C12 | H6 | 115.8° | 114.8° |
| N4 | C11 | C12 | H5 | 115.8° | 114.8° |
| N4 | C11 | C12 | O4 | 102.5° | 139.7° |
| N4 | C11 | H6 | H5 | 130.9° | 130.9° |
| N4 | C11 | C12 | H7 | 123.1° | 87.8° |
| C11 | N4 | C13 | H9 | 127.8° | 87.7° |
| C11 | N4 | C13 | H10 | 104.1° | 141.8° |
| N3 | C2 | C16 | N2 | 166.8° | 179.9° |
| N3 | C2 | C16 | C17 | 174.1° | 179.7° |
| N3 | C2 | N2 | C1 | 177.7° | 180.0° |
| C2 | N3 | C3 | H3 | 7.2° | 0.0° |
| C13 | C12 | C11 | O4 | 113.6° | 113.6° |
| C13 | C12 | C11 | H7 | 111.9° | 113.8° |
| C13 | C12 | O4 | H7 | 125.2° | 133.2° |
| C13 | C12 | C11 | H6 | 104.7° | 140.8° |
| C13 | C12 | C11 | H5 | 127.0° | 88.8° |
| C13 | C12 | O4 | H8 | 180.0° | 86.1° |
| C12 | C13 | H9 | H10 | 130.7° | 130.8° |
| C2 | C16 | C17 | C18 | 2.5° | 0.3° |
| C16 | C2 | N2 | C1 | 9.3° | 0.0° |
| C2 | C16 | C17 | H11 | 177.5° | 180.0° |
| C17 | C16 | C2 | N2 | 7.4° | 0.3° |
| C16 | C17 | C18 | H11 | 180.0° | 179.7° |
| C16 | C17 | C18 | C1 | 0.5° | 0.1° |
| C16 | C17 | C18 | F3 | 179.4° | 180.0° |
| C11 | C12 | O4 | H7 | 133.4° | 133.0° |
| C12 | C11 | H6 | H5 | 131.0° | 130.8° |
| C11 | C12 | O4 | H8 | 78.6° | 180.0° |
| C11 | C12 | C13 | H9 | 127.1° | 88.7° |
| C11 | C12 | C13 | H10 | 104.9° | 140.8° |
| C2 | N2 | C1 | C18 | 6.4° | 0.2° |
| C2 | N2 | C1 | N1 | 175.4° | 180.0° |
| O4 | C12 | C11 | H6 | 141.7° | 105.6° |
| O4 | C12 | C11 | H5 | 13.3° | 24.9° |
| O4 | C12 | C13 | H9 | 5.1° | 24.9° |
| O4 | C12 | C13 | H10 | 133.2° | 105.6° |
| C17 | C18 | C1 | N2 | 1.4° | 0.2° |
| C17 | C18 | C1 | F3 | 179.0° | 179.9° |
| C17 | C18 | C1 | N1 | 179.6° | 179.9° |
| N2 | C1 | C18 | N1 | 178.2° | 179.7° |
| N2 | C1 | C18 | F3 | 177.6° | 179.7° |
| N2 | C1 | N1 | H2 | 0.0° | 5.0° |
| N2 | C1 | N1 | H1 | 120.0° | 174.9° |
| C18 | C1 | N1 | H2 | 178.2° | 174.7° |
| C18 | C1 | N1 | H1 | 58.2° | 5.4° |
| C1 | C18 | C17 | H11 | 179.5° | 179.8° |
| F3 | C18 | C1 | N1 | 0.6° | 0.0° |
| F3 | C18 | C17 | H11 | 0.6° | 0.3° |
| C1 | N1 | H2 | H1 | 120.0° | 179.9° |
| H6 | C11 | C12 | H7 | 7.2° | 27.0° |
| H5 | C11 | C12 | H7 | 121.1° | 157.4° |
| H7 | C12 | O4 | H8 | 54.8° | 47.1° |
| H7 | C12 | C13 | H9 | 121.2° | 157.6° |
| H7 | C12 | C13 | H10 | 6.8° | 27.2° |
