2LZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | O15 | sing | 1.34Å | 1.35Å | |
| C12 | C8 | sing | 1.51Å | 1.51Å | |
| F7 | C6 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C4 | sing | 1.47Å | 1.47Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N10 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| O15 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | C12 | 122.0° | 119.9° |
| O14 | C13 | O15 | 118.1° | 120.0° |
| C12 | C13 | O15 | 119.9° | 120.0° |
| C13 | C12 | C8 | 108.4° | 109.5° |
| C13 | C12 | H3 | 109.7° | 109.4° |
| C13 | C12 | H4 | 109.8° | 109.5° |
| C13 | O15 | H8 | 109.5° | 117.0° |
| C12 | C8 | C4 | 126.2° | 126.5° |
| C12 | C8 | C9 | 127.5° | 126.5° |
| C8 | C12 | H3 | 109.8° | 109.5° |
| C8 | C12 | H4 | 109.8° | 109.5° |
| F7 | C6 | C5 | 118.3° | 119.8° |
| F7 | C6 | C1 | 120.5° | 119.8° |
| C6 | C5 | C4 | 120.1° | 119.6° |
| C5 | C6 | C1 | 121.2° | 120.3° |
| C6 | C5 | H1 | 120.0° | 120.2° |
| C5 | C4 | C8 | 133.8° | 134.0° |
| C5 | C4 | C3 | 119.3° | 119.9° |
| C4 | C5 | H1 | 119.9° | 120.2° |
| C4 | C8 | C9 | 106.2° | 107.0° |
| C8 | C4 | C3 | 106.9° | 106.1° |
| C8 | C9 | N10 | 110.5° | 110.0° |
| C8 | C9 | H2 | 124.8° | 125.0° |
| C6 | C1 | C2 | 119.1° | 120.6° |
| C6 | C1 | H5 | 120.5° | 119.7° |
| C4 | C3 | N10 | 106.5° | 107.1° |
| C4 | C3 | C2 | 119.4° | 119.5° |
| C9 | N10 | C3 | 110.0° | 109.8° |
| N10 | C9 | H2 | 124.8° | 125.1° |
| C9 | N10 | H7 | 125.0° | 125.0° |
| C1 | C2 | C3 | 121.0° | 119.9° |
| C2 | C1 | H5 | 120.5° | 119.6° |
| C1 | C2 | H6 | 119.5° | 120.1° |
| N10 | C3 | C2 | 134.2° | 133.4° |
| C3 | N10 | H7 | 125.0° | 125.1° |
| C3 | C2 | H6 | 119.5° | 120.0° |
| H3 | C12 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C12 | O15 | 179.8° | 180.0° |
| O14 | C13 | C12 | C8 | 139.6° | 0.0° |
| O14 | C13 | C12 | H3 | 100.6° | 120.0° |
| O14 | C13 | C12 | H4 | 19.7° | 120.0° |
| O14 | C13 | O15 | H8 | 0.0° | 0.0° |
| C13 | C12 | C8 | H3 | 119.8° | 120.0° |
| C13 | C12 | C8 | H4 | 119.9° | 120.0° |
| C13 | C12 | C8 | C4 | 88.9° | 85.0° |
| C13 | C12 | C8 | C9 | 88.4° | 95.0° |
| C13 | C12 | H3 | H4 | 120.5° | 119.9° |
| C12 | C13 | O15 | H8 | 179.8° | 180.0° |
| O15 | C13 | C12 | C8 | 40.6° | 180.0° |
| O15 | C13 | C12 | H3 | 79.3° | 60.0° |
| O15 | C13 | C12 | H4 | 160.4° | 60.0° |
| C12 | C8 | C4 | C5 | 2.0° | 0.3° |
| C12 | C8 | C4 | C9 | 177.7° | 180.0° |
| C12 | C8 | C4 | C3 | 177.8° | 180.0° |
| C12 | C8 | C9 | N10 | 177.9° | 180.0° |
| C12 | C8 | C9 | H2 | 2.1° | 0.1° |
| C8 | C12 | H3 | H4 | 120.5° | 120.0° |
| F7 | C6 | C5 | C1 | 178.5° | 180.0° |
| F7 | C6 | C5 | C4 | 179.8° | 180.0° |
| F7 | C6 | C1 | C2 | 179.4° | 180.0° |
| F7 | C6 | C5 | H1 | 0.2° | 0.1° |
| F7 | C6 | C1 | H5 | 0.6° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | C8 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C5 | C6 | C1 | C2 | 2.1° | 0.0° |
| C5 | C6 | C1 | H5 | 177.9° | 180.0° |
| C5 | C4 | C8 | C3 | 179.8° | 179.6° |
| C5 | C4 | C8 | C9 | 179.8° | 179.7° |
| C4 | C5 | C6 | C1 | 1.2° | 0.1° |
| C5 | C4 | C3 | N10 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C8 | C9 | N10 | 0.2° | 0.1° |
| C8 | C4 | C3 | N10 | 0.1° | 0.0° |
| C8 | C4 | C3 | C2 | 179.9° | 179.7° |
| C8 | C4 | C5 | H1 | 0.0° | 0.5° |
| C4 | C8 | C9 | H2 | 179.8° | 180.0° |
| C4 | C8 | C12 | H3 | 151.3° | 155.0° |
| C4 | C8 | C12 | H4 | 31.0° | 35.0° |
| C9 | C8 | C4 | C3 | 0.0° | 0.1° |
| C8 | C9 | N10 | H2 | 180.0° | 179.9° |
| C8 | C9 | N10 | C3 | 0.3° | 0.1° |
| C9 | C8 | C12 | H3 | 31.5° | 25.0° |
| C9 | C8 | C12 | H4 | 151.8° | 145.0° |
| C8 | C9 | N10 | H7 | 179.7° | 180.0° |
| C6 | C1 | C2 | H5 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 2.0° | 0.1° |
| C1 | C6 | C5 | H1 | 178.8° | 180.0° |
| C6 | C1 | C2 | H6 | 178.0° | 180.0° |
| C4 | C3 | N10 | C9 | 0.3° | 0.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| C4 | C3 | N10 | C2 | 179.9° | 179.7° |
| C3 | C4 | C5 | H1 | 179.8° | 179.9° |
| C4 | C3 | C2 | H6 | 179.0° | 180.0° |
| C4 | C3 | N10 | H7 | 179.7° | 180.0° |
| C9 | N10 | C3 | H7 | 180.0° | 180.0° |
| C9 | N10 | C3 | C2 | 179.8° | 179.7° |
| C1 | C2 | C3 | N10 | 179.1° | 179.7° |
| C1 | C2 | C3 | H6 | 180.0° | 179.9° |
| C3 | N10 | C9 | H2 | 179.7° | 180.0° |
| N10 | C3 | C2 | H6 | 0.9° | 0.4° |
| C3 | C2 | C1 | H5 | 178.0° | 180.0° |
| C2 | C3 | N10 | H7 | 0.2° | 0.4° |
| H2 | C9 | N10 | H7 | 0.3° | 0.1° |
| H5 | C1 | C2 | H6 | 1.9° | 0.0° |
