7ZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| CL | C5 | sing | 1.74Å | 1.74Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.38Å | |
| C9 | CL1 | sing | 1.74Å | 1.73Å | |
| N | C3 | sing | 1.40Å | 1.39Å | |
| C10 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.31Å | |
| O1 | C | sing | 1.34Å | 1.22Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 119.2° | 120.1° |
| C6 | C7 | C8 | 120.3° | 120.2° |
| C6 | C7 | H1 | 119.8° | 119.9° |
| C7 | C6 | H2 | 120.4° | 120.0° |
| C6 | C5 | CL | 118.4° | 120.1° |
| C6 | C5 | C4 | 122.2° | 119.9° |
| C5 | C6 | H2 | 120.4° | 119.9° |
| C7 | C8 | C9 | 119.5° | 120.0° |
| C8 | C7 | H1 | 119.8° | 119.9° |
| C7 | C8 | H3 | 120.3° | 120.0° |
| CL | C5 | C4 | 119.4° | 120.0° |
| C5 | C4 | C9 | 117.0° | 119.8° |
| C5 | C4 | N | 121.6° | 120.1° |
| C8 | C9 | C4 | 121.8° | 119.9° |
| C8 | C9 | CL1 | 118.6° | 120.0° |
| C9 | C8 | H3 | 120.3° | 119.9° |
| C9 | C4 | N | 121.2° | 120.1° |
| C4 | C9 | CL1 | 119.6° | 120.0° |
| C4 | N | C3 | 124.6° | 120.0° |
| C4 | N | H8 | 117.7° | 120.0° |
| N | C3 | C10 | 121.6° | 120.0° |
| N | C3 | C2 | 118.6° | 120.0° |
| C3 | N | H8 | 117.7° | 120.0° |
| C3 | C10 | C11 | 120.3° | 120.0° |
| C10 | C3 | C2 | 119.8° | 120.0° |
| C3 | C10 | H6 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C11 | C10 | H6 | 119.8° | 120.0° |
| C10 | C11 | H7 | 120.2° | 120.0° |
| C3 | C2 | C1 | 121.1° | 120.0° |
| C3 | C2 | C13 | 119.5° | 120.0° |
| O | C | O1 | 123.5° | 120.1° |
| O | C | C1 | 113.6° | 119.9° |
| O1 | C | C1 | 122.9° | 120.0° |
| C | O1 | H11 | 109.5° | 117.0° |
| C11 | C12 | C13 | 120.3° | 120.1° |
| C11 | C12 | O2 | 120.7° | 120.0° |
| C12 | C11 | H7 | 120.1° | 120.0° |
| C | C1 | C2 | 112.6° | 109.5° |
| C | C1 | H4 | 108.7° | 109.5° |
| C | C1 | H5 | 108.7° | 109.5° |
| C1 | C2 | C13 | 119.3° | 120.0° |
| C2 | C1 | H4 | 108.7° | 109.5° |
| C2 | C1 | H5 | 108.7° | 109.4° |
| C2 | C13 | C12 | 120.3° | 120.0° |
| C2 | C13 | H10 | 119.8° | 120.0° |
| C13 | C12 | O2 | 119.0° | 119.9° |
| C12 | C13 | H10 | 119.8° | 120.0° |
| C12 | O2 | H9 | 109.5° | 114.0° |
| H4 | C1 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C7 | C6 | C5 | CL | 177.9° | 180.0° |
| C7 | C6 | C5 | C4 | 1.3° | 0.1° |
| C6 | C7 | C8 | C9 | 0.9° | 0.3° |
| C6 | C7 | C8 | H3 | 179.1° | 179.7° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C6 | C5 | CL | C4 | 179.2° | 179.9° |
| C6 | C5 | C4 | C9 | 1.6° | 0.3° |
| C6 | C5 | C4 | N | 174.6° | 180.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.8° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.5° | 0.6° |
| C7 | C8 | C9 | CL1 | 178.3° | 180.0° |
| C8 | C7 | C6 | H2 | 179.9° | 180.0° |
| CL | C5 | C4 | C9 | 177.6° | 179.8° |
| CL | C5 | C4 | N | 6.2° | 0.1° |
| CL | C5 | C6 | H2 | 2.1° | 0.1° |
| C5 | C4 | C9 | C8 | 0.7° | 0.6° |
| C5 | C4 | C9 | N | 176.2° | 179.7° |
| C5 | C4 | C9 | CL1 | 179.5° | 180.0° |
| C5 | C4 | N | C3 | 84.2° | 26.8° |
| C4 | C5 | C6 | H2 | 178.8° | 180.0° |
| C5 | C4 | N | H8 | 95.8° | 153.2° |
| C8 | C9 | C4 | CL1 | 178.8° | 179.4° |
| C8 | C9 | C4 | N | 175.5° | 179.7° |
| C9 | C8 | C7 | H1 | 179.1° | 180.0° |
| C9 | C4 | N | C3 | 99.7° | 153.5° |
| C4 | C9 | C8 | H3 | 179.4° | 179.5° |
| C9 | C4 | N | H8 | 80.2° | 26.5° |
| N | C4 | C9 | CL1 | 3.2° | 0.3° |
| C4 | N | C3 | H8 | 180.0° | 180.0° |
| C4 | N | C3 | C10 | 15.4° | 111.5° |
| C4 | N | C3 | C2 | 165.1° | 68.6° |
| CL1 | C9 | C8 | H3 | 1.8° | 0.0° |
| N | C3 | C10 | C2 | 179.5° | 179.9° |
| N | C3 | C10 | C11 | 179.4° | 180.0° |
| N | C3 | C2 | C1 | 0.3° | 0.0° |
| N | C3 | C2 | C13 | 179.3° | 179.8° |
| N | C3 | C10 | H6 | 0.6° | 0.1° |
| C3 | C10 | C11 | H6 | 180.0° | 180.0° |
| C3 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C3 | C2 | C1 | 179.8° | 180.0° |
| C10 | C3 | C2 | C13 | 0.2° | 0.3° |
| C3 | C10 | C11 | H7 | 179.9° | 180.0° |
| C10 | C3 | N | H8 | 164.6° | 68.5° |
| C11 | C10 | C3 | C2 | 0.2° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.2° |
| C10 | C11 | C12 | O2 | 178.9° | 180.0° |
| C3 | C2 | C1 | C | 79.4° | 85.2° |
| C3 | C2 | C1 | C13 | 179.6° | 179.8° |
| C3 | C2 | C13 | C12 | 0.0° | 0.5° |
| C3 | C2 | C1 | H4 | 160.1° | 154.7° |
| C3 | C2 | C1 | H5 | 41.0° | 34.8° |
| C2 | C3 | C10 | H6 | 179.8° | 180.0° |
| C2 | C3 | N | H8 | 14.9° | 111.4° |
| C3 | C2 | C13 | H10 | 180.0° | 179.7° |
| O | C | O1 | C1 | 179.6° | 179.9° |
| O | C | C1 | C2 | 18.2° | 0.0° |
| O | C | C1 | H4 | 102.3° | 120.0° |
| O | C | C1 | H5 | 138.6° | 120.0° |
| O | C | O1 | H11 | 0.0° | 0.1° |
| O1 | C | C1 | C2 | 162.2° | 180.0° |
| O1 | C | C1 | H4 | 77.4° | 59.9° |
| O1 | C | C1 | H5 | 41.8° | 60.0° |
| C11 | C12 | C13 | C2 | 0.2° | 0.5° |
| C11 | C12 | C13 | O2 | 179.2° | 179.8° |
| C12 | C11 | C10 | H6 | 179.9° | 180.0° |
| C11 | C12 | O2 | H9 | 180.0° | 90.0° |
| C11 | C12 | C13 | H10 | 179.7° | 179.7° |
| C | C1 | C2 | H4 | 120.5° | 120.0° |
| C | C1 | C2 | H5 | 120.4° | 120.0° |
| C | C1 | C2 | C13 | 100.2° | 95.0° |
| C | C1 | H4 | H5 | 118.6° | 120.0° |
| C1 | C | O1 | H11 | 179.6° | 180.0° |
| C1 | C2 | C13 | C12 | 179.6° | 179.7° |
| C2 | C1 | H4 | H5 | 118.6° | 120.0° |
| C1 | C2 | C13 | H10 | 0.4° | 0.0° |
| C2 | C13 | C12 | H10 | 180.0° | 179.8° |
| C2 | C13 | C12 | O2 | 179.0° | 179.7° |
| C13 | C2 | C1 | H4 | 20.3° | 25.0° |
| C13 | C2 | C1 | H5 | 139.4° | 145.0° |
| C13 | C12 | C11 | H7 | 179.7° | 179.7° |
| C13 | C12 | O2 | H9 | 0.8° | 89.8° |
| O2 | C12 | C11 | H7 | 1.1° | 0.0° |
| O2 | C12 | C13 | H10 | 1.0° | 0.0° |
| H1 | C7 | C6 | H2 | 0.0° | 0.3° |
| H1 | C7 | C8 | H3 | 0.9° | 0.0° |
| H6 | C10 | C11 | H7 | 0.1° | 0.0° |
