NUQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| F | C13 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.48Å | |
| N3 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C8 | sing | 1.35Å | 1.35Å | Aromatic |
| C9 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | N2 | doub | 1.30Å | 1.33Å | Aromatic |
| C7 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | sing | 1.41Å | 1.42Å | |
| C4 | C5 | doub | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.37Å | 1.39Å | |
| C5 | C6 | sing | 1.41Å | 1.45Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | |
| C6 | N1 | sing | 1.35Å | 1.40Å | |
| C6 | O | doub | 1.22Å | 1.24Å | |
| N1 | C1 | sing | 1.46Å | 1.47Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 118.1° | 120.1° |
| C14 | C13 | F | 119.2° | 119.9° |
| C14 | C13 | C12 | 122.3° | 120.2° |
| C13 | C14 | H8 | 120.9° | 119.9° |
| C14 | C15 | C10 | 121.2° | 119.9° |
| C14 | C15 | H5 | 119.4° | 120.0° |
| C15 | C14 | H8 | 121.0° | 120.0° |
| F | C13 | C12 | 118.4° | 119.9° |
| C13 | C12 | C11 | 118.4° | 120.2° |
| C13 | C12 | H6 | 120.8° | 119.9° |
| C15 | C10 | C11 | 119.2° | 119.8° |
| C15 | C10 | C9 | 120.1° | 120.1° |
| C10 | C15 | H5 | 119.4° | 120.1° |
| C12 | C11 | C10 | 120.7° | 119.8° |
| C11 | C12 | H6 | 120.8° | 119.9° |
| C12 | C11 | H7 | 119.6° | 120.1° |
| C11 | C10 | C9 | 120.5° | 120.1° |
| C10 | C11 | H7 | 119.7° | 120.1° |
| C10 | C9 | N3 | 121.3° | 126.9° |
| C10 | C9 | C7 | 133.4° | 126.9° |
| C9 | N3 | C8 | 107.7° | 107.3° |
| N3 | C9 | C7 | 105.3° | 106.2° |
| C9 | N3 | H1 | 126.2° | 126.4° |
| N3 | C8 | N2 | 112.6° | 109.5° |
| C8 | N3 | H1 | 126.1° | 126.3° |
| N3 | C8 | H4 | 123.7° | 125.2° |
| C9 | C7 | N2 | 110.0° | 107.4° |
| C9 | C7 | C3 | 132.9° | 126.3° |
| C8 | N2 | C7 | 104.4° | 109.5° |
| N2 | C8 | H4 | 123.7° | 125.2° |
| N2 | C7 | C3 | 117.0° | 126.3° |
| C7 | C3 | C4 | 120.6° | 120.2° |
| C7 | C3 | C2 | 120.6° | 120.1° |
| C3 | C4 | C5 | 120.0° | 119.1° |
| C4 | C3 | C2 | 118.3° | 119.7° |
| C3 | C4 | H2 | 120.0° | 120.5° |
| C4 | C5 | C6 | 121.4° | 119.5° |
| C5 | C4 | H2 | 120.0° | 120.4° |
| C4 | C5 | H3 | 119.3° | 120.3° |
| C3 | C2 | N1 | 121.4° | 120.6° |
| C3 | C2 | H10 | 119.3° | 119.7° |
| C5 | C6 | N1 | 115.6° | 120.3° |
| C5 | C6 | O | 124.2° | 119.9° |
| C6 | C5 | H3 | 119.3° | 120.3° |
| C2 | N1 | C6 | 123.2° | 120.8° |
| C2 | N1 | C1 | 118.9° | 119.6° |
| N1 | C2 | H10 | 119.3° | 119.7° |
| N1 | C6 | O | 120.2° | 119.8° |
| C6 | N1 | C1 | 117.9° | 119.6° |
| N1 | C1 | H11 | 109.5° | 109.5° |
| N1 | C1 | H12 | 109.5° | 109.5° |
| N1 | C1 | H13 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H8 | 180.0° | 179.8° |
| C14 | C13 | F | C12 | 179.9° | 179.5° |
| C13 | C14 | C15 | C10 | 1.6° | 0.1° |
| C14 | C13 | C12 | C11 | 0.0° | 0.6° |
| C13 | C14 | C15 | H5 | 178.4° | 180.0° |
| C14 | C13 | C12 | H6 | 180.0° | 179.5° |
| C15 | C14 | C13 | F | 179.8° | 179.7° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C14 | C15 | C10 | H5 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 3.2° | 0.0° |
| C14 | C15 | C10 | C9 | 178.1° | 179.7° |
| F | C13 | C12 | C11 | 179.9° | 180.0° |
| F | C13 | C12 | H6 | 0.1° | 0.0° |
| F | C13 | C14 | H8 | 0.2° | 0.5° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.6° | 0.6° |
| C13 | C12 | C11 | H7 | 178.3° | 179.4° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C15 | C10 | C11 | C12 | 3.2° | 0.3° |
| C15 | C10 | C11 | C9 | 174.9° | 179.8° |
| C15 | C10 | C9 | N3 | 42.9° | 132.9° |
| C15 | C10 | C9 | C7 | 136.9° | 47.1° |
| C15 | C10 | C11 | H7 | 176.7° | 179.7° |
| C10 | C15 | C14 | H8 | 178.4° | 179.7° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.1° | 180.0° |
| C11 | C10 | C9 | N3 | 132.0° | 46.9° |
| C11 | C10 | C9 | C7 | 48.2° | 133.2° |
| C11 | C10 | C15 | H5 | 176.8° | 180.0° |
| C10 | C11 | C12 | H6 | 178.3° | 179.4° |
| C10 | C9 | N3 | C7 | 179.9° | 180.0° |
| C10 | C9 | N3 | C8 | 179.8° | 180.0° |
| C10 | C9 | C7 | N2 | 179.2° | 180.0° |
| C10 | C9 | C7 | C3 | 4.3° | 0.0° |
| C10 | C9 | N3 | H1 | 0.2° | 0.2° |
| C9 | C10 | C15 | H5 | 1.9° | 0.2° |
| C9 | C10 | C11 | H7 | 1.8° | 0.1° |
| C9 | N3 | C8 | H1 | 180.0° | 179.8° |
| C9 | N3 | C8 | N2 | 0.4° | 0.1° |
| N3 | C9 | C7 | N2 | 1.0° | 0.0° |
| N3 | C9 | C7 | C3 | 175.9° | 180.0° |
| C9 | N3 | C8 | H4 | 179.6° | 180.0° |
| C8 | N3 | C9 | C7 | 0.4° | 0.1° |
| N3 | C8 | N2 | H4 | 180.0° | 180.0° |
| N3 | C8 | N2 | C7 | 1.0° | 0.0° |
| C9 | C7 | N2 | C8 | 1.2° | 0.0° |
| C9 | C7 | N2 | C3 | 175.8° | 180.0° |
| C9 | C7 | C3 | C4 | 26.8° | 56.3° |
| C9 | C7 | C3 | C2 | 145.6° | 123.9° |
| C7 | C9 | N3 | H1 | 179.7° | 179.8° |
| C8 | N2 | C7 | C3 | 177.0° | 180.0° |
| N2 | C8 | N3 | H1 | 179.6° | 179.8° |
| N2 | C7 | C3 | C4 | 158.6° | 123.6° |
| N2 | C7 | C3 | C2 | 29.1° | 56.1° |
| C7 | N2 | C8 | H4 | 179.0° | 180.0° |
| C7 | C3 | C4 | C2 | 172.5° | 179.7° |
| C7 | C3 | C4 | C5 | 177.9° | 180.0° |
| C7 | C3 | C2 | N1 | 177.6° | 179.7° |
| C7 | C3 | C4 | H2 | 2.0° | 0.0° |
| C7 | C3 | C2 | H10 | 2.4° | 0.2° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.6° | 0.3° |
| C4 | C3 | C2 | N1 | 5.1° | 0.0° |
| C3 | C4 | C5 | H3 | 177.4° | 180.0° |
| C4 | C3 | C2 | H10 | 174.9° | 179.9° |
| C5 | C4 | C3 | C2 | 5.4° | 0.3° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | N1 | 0.7° | 0.0° |
| C4 | C5 | C6 | O | 179.6° | 180.0° |
| C3 | C2 | N1 | H10 | 180.0° | 179.9° |
| C3 | C2 | N1 | C6 | 1.8° | 0.3° |
| C3 | C2 | N1 | C1 | 177.4° | 180.0° |
| C2 | C3 | C4 | H2 | 174.5° | 179.7° |
| C5 | C6 | N1 | C2 | 1.2° | 0.3° |
| C5 | C6 | N1 | O | 179.8° | 180.0° |
| C5 | C6 | N1 | C1 | 179.6° | 180.0° |
| C6 | C5 | C4 | H2 | 177.4° | 179.7° |
| C2 | N1 | C6 | C1 | 179.2° | 179.7° |
| C2 | N1 | C6 | O | 179.1° | 179.7° |
| C2 | N1 | C1 | H11 | 180.0° | 179.7° |
| C2 | N1 | C1 | H12 | 60.0° | 60.4° |
| C2 | N1 | C1 | H13 | 60.0° | 59.7° |
| N1 | C6 | C5 | H3 | 179.3° | 179.7° |
| C6 | N1 | C2 | H10 | 178.2° | 179.7° |
| C6 | N1 | C1 | H11 | 0.8° | 0.0° |
| C6 | N1 | C1 | H12 | 120.8° | 120.0° |
| C6 | N1 | C1 | H13 | 119.3° | 119.9° |
| O | C6 | N1 | C1 | 0.1° | 0.0° |
| O | C6 | C5 | H3 | 0.4° | 0.2° |
| C1 | N1 | C2 | H10 | 2.6° | 0.1° |
| N1 | C1 | H11 | H12 | 120.0° | 120.0° |
| N1 | C1 | H11 | H13 | 120.0° | 120.0° |
| N1 | C1 | H12 | H13 | 120.0° | 120.1° |
| H1 | N3 | C8 | H4 | 0.4° | 0.2° |
| H2 | C4 | C5 | H3 | 2.6° | 0.0° |
| H5 | C15 | C14 | H8 | 1.5° | 0.2° |
| H6 | C12 | C11 | H7 | 1.7° | 0.6° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
