LZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C4 | sing | 1.35Å | 1.31Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C | N | sing | 1.47Å | 1.46Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.50Å | 1.55Å | |
| C2 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| N | C1 | sing | 1.46Å | 1.52Å | |
| N | C10 | sing | 1.35Å | 1.44Å | |
| C7 | N1 | sing | 1.40Å | 1.39Å | |
| O | C10 | doub | 1.21Å | 1.23Å | |
| C10 | C9 | sing | 1.50Å | 1.51Å | |
| N1 | C8 | sing | 1.46Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C4 | C3 | 117.8° | 120.0° |
| F | C4 | C5 | 119.2° | 119.9° |
| C3 | C4 | C5 | 122.9° | 120.1° |
| C4 | C3 | C2 | 119.3° | 120.1° |
| C4 | C3 | H11 | 120.3° | 119.9° |
| C4 | C5 | C6 | 118.7° | 120.0° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| C | N | C1 | 116.4° | 119.7° |
| C | N | C10 | 116.0° | 120.0° |
| N | C | H6 | 109.5° | 109.5° |
| N | C | H7 | 109.5° | 109.4° |
| N | C | H8 | 109.5° | 109.5° |
| C3 | C2 | C1 | 116.4° | 119.8° |
| C3 | C2 | C7 | 117.8° | 119.7° |
| C2 | C3 | H11 | 120.3° | 119.9° |
| C5 | C6 | C7 | 120.7° | 119.9° |
| C6 | C5 | H2 | 120.6° | 120.0° |
| C5 | C6 | H3 | 119.7° | 120.0° |
| C1 | C2 | C7 | 125.7° | 120.5° |
| C2 | C1 | N | 109.1° | 109.5° |
| C2 | C1 | H9 | 109.6° | 110.0° |
| C2 | C1 | H10 | 109.5° | 109.1° |
| C2 | C7 | C6 | 120.5° | 120.1° |
| C2 | C7 | N1 | 125.0° | 119.8° |
| C6 | C7 | N1 | 114.5° | 120.1° |
| C7 | C6 | H3 | 119.6° | 120.0° |
| C1 | N | C10 | 120.5° | 120.3° |
| N | C1 | H9 | 109.6° | 109.4° |
| N | C1 | H10 | 109.6° | 109.4° |
| N | C10 | O | 121.5° | 119.8° |
| N | C10 | C9 | 119.0° | 120.5° |
| C7 | N1 | C8 | 123.5° | 120.2° |
| C7 | N1 | H1 | 105.8° | 119.9° |
| O | C10 | C9 | 119.5° | 119.7° |
| C10 | C9 | C8 | 114.7° | 110.0° |
| C10 | C9 | H12 | 108.1° | 109.4° |
| C10 | C9 | H13 | 108.1° | 109.4° |
| N1 | C8 | C9 | 112.2° | 110.0° |
| C8 | N1 | H1 | 105.9° | 119.9° |
| N1 | C8 | H4 | 108.8° | 109.4° |
| N1 | C8 | H5 | 108.8° | 109.4° |
| C9 | C8 | H4 | 108.8° | 109.4° |
| C9 | C8 | H5 | 108.8° | 109.3° |
| C8 | C9 | H12 | 108.2° | 109.4° |
| C8 | C9 | H13 | 108.2° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H6 | C | H7 | 109.5° | 109.4° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C4 | C3 | C5 | 175.1° | 180.0° |
| F | C4 | C3 | C2 | 174.2° | 180.0° |
| F | C4 | C5 | C6 | 172.4° | 180.0° |
| F | C4 | C5 | H2 | 7.6° | 0.0° |
| F | C4 | C3 | H11 | 5.8° | 0.0° |
| C4 | C3 | C2 | H11 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.7° | 0.0° |
| C4 | C3 | C2 | C1 | 177.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.2° | 0.1° |
| C3 | C4 | C5 | H2 | 177.3° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 2.2° | 0.0° |
| C4 | C5 | C6 | H3 | 177.8° | 180.0° |
| C5 | C4 | C3 | H11 | 179.0° | 180.0° |
| C | N | C1 | C2 | 67.1° | 87.1° |
| C | N | C1 | C10 | 149.3° | 179.5° |
| C | N | C10 | O | 12.3° | 0.0° |
| C | N | C10 | C9 | 165.8° | 180.0° |
| N | C | H6 | H7 | 120.0° | 119.9° |
| N | C | H6 | H8 | 120.0° | 120.1° |
| N | C | H7 | H8 | 120.0° | 120.0° |
| C | N | C1 | H9 | 172.9° | 152.3° |
| C | N | C1 | H10 | 52.8° | 32.5° |
| C3 | C2 | C1 | C7 | 178.1° | 180.0° |
| C3 | C2 | C7 | C6 | 1.7° | 0.1° |
| C3 | C2 | C1 | N | 123.8° | 91.2° |
| C3 | C2 | C7 | N1 | 179.9° | 180.0° |
| C3 | C2 | C1 | H9 | 116.3° | 148.5° |
| C3 | C2 | C1 | H10 | 3.9° | 28.5° |
| C5 | C6 | C7 | C2 | 0.0° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | N1 | 178.5° | 180.0° |
| C1 | C2 | C7 | C6 | 176.3° | 179.9° |
| C2 | C1 | N | H9 | 119.9° | 120.7° |
| C2 | C1 | N | H10 | 119.9° | 119.5° |
| C2 | C1 | N | C10 | 82.2° | 93.5° |
| C1 | C2 | C7 | N1 | 2.1° | 0.0° |
| C2 | C1 | H9 | H10 | 120.2° | 119.8° |
| C1 | C2 | C3 | H11 | 3.0° | 0.0° |
| C2 | C7 | C6 | N1 | 178.5° | 179.9° |
| C7 | C2 | C1 | N | 54.3° | 88.8° |
| C2 | C7 | N1 | C8 | 46.0° | 75.5° |
| C2 | C7 | N1 | H1 | 75.9° | 104.3° |
| C2 | C7 | C6 | H3 | 180.0° | 179.9° |
| C7 | C2 | C1 | H9 | 65.7° | 31.5° |
| C7 | C2 | C1 | H10 | 174.2° | 151.5° |
| C7 | C2 | C3 | H11 | 178.8° | 180.0° |
| C6 | C7 | N1 | C8 | 135.5° | 104.5° |
| C6 | C7 | N1 | H1 | 102.6° | 75.8° |
| C7 | C6 | C5 | H2 | 177.9° | 180.0° |
| C1 | N | C10 | O | 161.7° | 179.5° |
| C1 | N | C10 | C9 | 16.4° | 0.6° |
| C1 | N | C | H6 | 180.0° | 90.1° |
| C1 | N | C | H7 | 60.0° | 150.0° |
| C1 | N | C | H8 | 60.0° | 30.0° |
| N | C1 | H9 | H10 | 120.2° | 119.8° |
| N | C10 | O | C9 | 178.1° | 180.0° |
| N | C10 | C9 | C8 | 75.7° | 78.5° |
| C10 | N | C | H6 | 29.3° | 89.4° |
| C10 | N | C | H7 | 149.3° | 30.5° |
| C10 | N | C | H8 | 90.7° | 150.5° |
| C10 | N | C1 | H9 | 37.8° | 27.2° |
| C10 | N | C1 | H10 | 157.9° | 147.0° |
| N | C10 | C9 | H12 | 45.0° | 41.6° |
| N | C10 | C9 | H13 | 163.5° | 161.3° |
| C7 | N1 | C8 | H1 | 121.9° | 179.8° |
| C7 | N1 | C8 | C9 | 94.1° | 95.8° |
| N1 | C7 | C6 | H3 | 1.5° | 0.0° |
| C7 | N1 | C8 | H4 | 145.5° | 144.0° |
| C7 | N1 | C8 | H5 | 26.3° | 24.2° |
| O | C10 | C9 | C8 | 102.4° | 101.4° |
| O | C10 | C9 | H12 | 136.8° | 138.4° |
| O | C10 | C9 | H13 | 18.4° | 18.7° |
| C10 | C9 | C8 | N1 | 6.0° | 94.2° |
| C10 | C9 | C8 | H12 | 120.7° | 120.2° |
| C10 | C9 | C8 | H13 | 120.8° | 120.2° |
| C10 | C9 | C8 | H4 | 126.4° | 145.6° |
| C10 | C9 | C8 | H5 | 114.4° | 25.9° |
| C10 | C9 | H12 | H13 | 117.6° | 119.8° |
| N1 | C8 | C9 | H4 | 120.4° | 120.2° |
| N1 | C8 | C9 | H5 | 120.4° | 120.1° |
| N1 | C8 | H4 | H5 | 118.7° | 119.8° |
| N1 | C8 | C9 | H12 | 126.7° | 26.0° |
| N1 | C8 | C9 | H13 | 114.8° | 145.6° |
| C9 | C8 | N1 | H1 | 27.8° | 83.9° |
| C9 | C8 | H4 | H5 | 118.7° | 119.7° |
| C8 | C9 | H12 | H13 | 117.6° | 119.7° |
| H1 | N1 | C8 | H4 | 92.6° | 36.3° |
| H1 | N1 | C8 | H5 | 148.2° | 156.0° |
| H2 | C5 | C6 | H3 | 2.2° | 0.0° |
| H4 | C8 | C9 | H12 | 112.9° | 94.2° |
| H4 | C8 | C9 | H13 | 5.6° | 25.5° |
| H5 | C8 | C9 | H12 | 6.3° | 146.1° |
| H5 | C8 | C9 | H13 | 124.8° | 94.3° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
