FTZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C15 | sing | 1.74Å | 1.72Å | |
| C15 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.51Å | 1.57Å | |
| C9 | N1 | sing | 1.46Å | 1.48Å | |
| C11 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.34Å | Aromatic |
| C25 | C26 | doub | 1.35Å | 1.33Å | Aromatic |
| C24 | C7 | doub | 1.36Å | 1.32Å | Aromatic |
| N6 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N6 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| C26 | O27 | sing | 1.34Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.38Å | 1.35Å | |
| C7 | C5 | sing | 1.48Å | 1.41Å | |
| C7 | O27 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.24Å | Aromatic |
| C14 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | F18 | sing | 1.35Å | 1.34Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C15 | C23 | 116.1° | 120.0° |
| CL1 | C15 | C11 | 120.9° | 120.0° |
| C23 | C15 | C11 | 123.0° | 120.0° |
| C15 | C23 | C16 | 120.4° | 120.0° |
| C15 | C23 | H8 | 119.8° | 120.0° |
| C15 | C11 | C9 | 122.9° | 120.0° |
| C15 | C11 | C14 | 115.0° | 120.0° |
| C23 | C16 | C17 | 118.1° | 120.0° |
| C16 | C23 | H8 | 119.8° | 120.0° |
| C23 | C16 | H9 | 120.9° | 120.0° |
| C11 | C9 | N1 | 111.3° | 109.5° |
| C9 | C11 | C14 | 122.0° | 120.0° |
| C11 | C9 | H6 | 109.0° | 109.5° |
| C11 | C9 | H7 | 109.0° | 109.5° |
| C9 | N1 | C2 | 126.7° | 120.0° |
| C9 | N1 | H5 | 105.0° | 120.0° |
| N1 | C9 | H6 | 109.0° | 109.4° |
| N1 | C9 | H7 | 109.0° | 109.5° |
| C11 | C14 | C17 | 122.1° | 120.0° |
| C11 | C14 | F18 | 120.3° | 120.0° |
| C16 | C17 | C14 | 121.5° | 120.0° |
| C17 | C16 | H9 | 121.0° | 120.0° |
| C16 | C17 | H10 | 119.2° | 119.9° |
| C24 | C25 | C26 | 110.3° | 107.0° |
| C25 | C24 | C7 | 108.3° | 106.7° |
| C25 | C24 | H1 | 125.8° | 126.6° |
| C24 | C25 | H2 | 124.9° | 126.5° |
| C25 | C26 | O27 | 106.2° | 108.7° |
| C26 | C25 | H2 | 124.8° | 126.5° |
| C25 | C26 | H3 | 126.9° | 125.7° |
| C24 | C7 | C5 | 128.9° | 125.9° |
| C24 | C7 | O27 | 107.3° | 108.2° |
| C7 | C24 | H1 | 125.8° | 126.7° |
| C2 | N6 | C5 | 107.0° | 109.6° |
| N6 | C2 | N1 | 126.7° | 125.9° |
| N6 | C2 | N3 | 107.2° | 108.1° |
| N6 | C5 | C7 | 125.7° | 125.5° |
| N6 | C5 | N4 | 106.2° | 108.8° |
| C26 | O27 | C7 | 107.8° | 109.4° |
| O27 | C26 | H3 | 126.9° | 125.7° |
| N1 | C2 | N3 | 126.1° | 125.9° |
| C2 | N1 | H5 | 105.0° | 120.0° |
| C5 | C7 | O27 | 123.7° | 125.9° |
| C7 | C5 | N4 | 128.1° | 125.6° |
| C2 | N3 | N4 | 109.3° | 106.5° |
| C2 | N3 | H4 | 125.3° | 126.7° |
| C5 | N4 | N3 | 110.2° | 106.9° |
| N4 | N3 | H4 | 125.3° | 126.7° |
| C17 | C14 | F18 | 117.7° | 120.0° |
| C14 | C17 | H10 | 119.3° | 120.1° |
| H6 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C15 | C23 | C11 | 179.7° | 180.0° |
| CL1 | C15 | C23 | C16 | 179.3° | 180.0° |
| CL1 | C15 | C11 | C9 | 0.3° | 0.0° |
| CL1 | C15 | C11 | C14 | 179.3° | 179.7° |
| CL1 | C15 | C23 | H8 | 0.7° | 0.0° |
| C15 | C23 | C16 | H8 | 180.0° | 180.0° |
| C23 | C15 | C11 | C9 | 180.0° | 180.0° |
| C23 | C15 | C11 | C14 | 1.0° | 0.3° |
| C15 | C23 | C16 | C17 | 0.4° | 0.1° |
| C15 | C23 | C16 | H9 | 179.6° | 180.0° |
| C11 | C15 | C23 | C16 | 0.9° | 0.0° |
| C15 | C11 | C9 | C14 | 179.0° | 179.7° |
| C15 | C11 | C9 | N1 | 74.1° | 89.7° |
| C15 | C11 | C14 | C17 | 0.6° | 0.6° |
| C15 | C11 | C14 | F18 | 179.4° | 179.7° |
| C15 | C11 | C9 | H6 | 165.7° | 150.3° |
| C15 | C11 | C9 | H7 | 46.2° | 30.3° |
| C11 | C15 | C23 | H8 | 179.0° | 180.0° |
| C23 | C16 | C17 | H9 | 180.0° | 180.0° |
| C23 | C16 | C17 | C14 | 0.1° | 0.2° |
| C23 | C16 | C17 | H10 | 179.9° | 180.0° |
| C11 | C9 | N1 | H6 | 120.3° | 120.0° |
| C11 | C9 | N1 | H7 | 120.3° | 120.0° |
| C11 | C9 | N1 | C2 | 179.0° | 180.0° |
| C9 | C11 | C14 | C17 | 179.7° | 179.7° |
| C9 | C11 | C14 | F18 | 0.3° | 0.0° |
| C11 | C9 | N1 | H5 | 56.7° | 0.0° |
| C11 | C9 | H6 | H7 | 119.2° | 120.1° |
| N1 | C9 | C11 | C14 | 104.9° | 90.0° |
| C9 | N1 | C2 | N6 | 12.9° | 180.0° |
| C9 | N1 | C2 | H5 | 122.3° | 180.0° |
| C9 | N1 | C2 | N3 | 168.0° | 0.3° |
| N1 | C9 | H6 | H7 | 119.2° | 120.0° |
| C11 | C14 | C17 | C16 | 0.2° | 0.6° |
| C11 | C14 | C17 | F18 | 180.0° | 179.7° |
| C14 | C11 | C9 | H6 | 15.4° | 30.0° |
| C14 | C11 | C9 | H7 | 134.8° | 150.1° |
| C11 | C14 | C17 | H10 | 179.8° | 179.7° |
| C16 | C17 | C14 | H10 | 180.0° | 179.7° |
| C16 | C17 | C14 | F18 | 179.8° | 179.8° |
| C17 | C16 | C23 | H8 | 179.6° | 180.0° |
| C24 | C25 | C26 | H2 | 180.0° | 180.0° |
| C25 | C24 | C7 | H1 | 180.0° | 179.8° |
| C24 | C25 | C26 | O27 | 0.2° | 0.0° |
| C25 | C24 | C7 | C5 | 178.8° | 179.8° |
| C25 | C24 | C7 | O27 | 0.4° | 0.0° |
| C24 | C25 | C26 | H3 | 179.8° | 180.0° |
| C26 | C25 | C24 | C7 | 0.1° | 0.0° |
| C25 | C26 | O27 | H3 | 180.0° | 179.9° |
| C25 | C26 | O27 | C7 | 0.4° | 0.0° |
| C26 | C25 | C24 | H1 | 179.9° | 179.7° |
| C24 | C7 | C5 | N6 | 168.0° | 179.7° |
| C24 | C7 | O27 | C26 | 0.5° | 0.0° |
| C24 | C7 | C5 | O27 | 178.2° | 179.7° |
| C24 | C7 | C5 | N4 | 10.3° | 0.0° |
| C7 | C24 | C25 | H2 | 179.8° | 180.0° |
| N6 | C2 | N1 | N3 | 179.2° | 179.8° |
| C2 | N6 | C5 | C7 | 179.2° | 180.0° |
| C2 | N6 | C5 | N4 | 0.6° | 0.3° |
| N6 | C2 | N3 | N4 | 0.0° | 0.0° |
| N6 | C2 | N1 | H5 | 135.2° | 0.0° |
| N6 | C2 | N3 | H4 | 180.0° | 179.9° |
| C5 | N6 | C2 | N1 | 178.9° | 180.0° |
| N6 | C5 | C7 | N4 | 178.3° | 179.7° |
| N6 | C5 | C7 | O27 | 10.3° | 0.0° |
| C5 | N6 | C2 | N3 | 0.4° | 0.2° |
| N6 | C5 | N4 | N3 | 0.6° | 0.2° |
| C26 | O27 | C7 | C5 | 179.1° | 179.8° |
| O27 | C26 | C25 | H2 | 179.9° | 180.0° |
| N1 | C2 | N3 | N4 | 179.3° | 179.8° |
| C2 | N1 | C9 | H6 | 60.7° | 60.0° |
| C2 | N1 | C9 | H7 | 58.8° | 60.0° |
| N1 | C2 | N3 | H4 | 0.7° | 0.1° |
| C7 | C5 | N4 | N3 | 179.2° | 180.0° |
| C5 | C7 | C24 | H1 | 1.2° | 0.0° |
| O27 | C7 | C5 | N4 | 171.4° | 179.7° |
| O27 | C7 | C24 | H1 | 179.7° | 179.8° |
| C7 | O27 | C26 | H3 | 179.6° | 180.0° |
| C2 | N3 | N4 | C5 | 0.4° | 0.1° |
| C2 | N3 | N4 | H4 | 180.0° | 179.9° |
| N3 | C2 | N1 | H5 | 45.7° | 179.7° |
| C5 | N4 | N3 | H4 | 179.6° | 180.0° |
| C14 | C17 | C16 | H9 | 179.9° | 179.7° |
| F18 | C14 | C17 | H10 | 0.2° | 0.0° |
| H1 | C24 | C25 | H2 | 0.1° | 0.2° |
| H2 | C25 | C26 | H3 | 0.1° | 0.0° |
| H5 | N1 | C9 | H6 | 177.0° | 120.0° |
| H5 | N1 | C9 | H7 | 63.5° | 120.0° |
| H8 | C23 | C16 | H9 | 0.4° | 0.0° |
| H9 | C16 | C17 | H10 | 0.1° | 0.0° |
