ZZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.71Å | |
| C5 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.36Å | |
| N1 | C1 | sing | 1.38Å | 1.37Å | |
| C1 | N2 | sing | 1.32Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| N2 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.47Å | 1.54Å | |
| C3 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | O1 | sing | 1.35Å | 1.25Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O1 | HA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C4 | 122.6° | 120.0° |
| C7 | C9 | C5 | 119.1° | 120.0° |
| C9 | C7 | H7 | 118.7° | 120.0° |
| C7 | C9 | H9 | 120.5° | 120.0° |
| C7 | C4 | C8 | 117.0° | 119.8° |
| C7 | C4 | N1 | 117.2° | 120.1° |
| C4 | C7 | H7 | 118.7° | 120.1° |
| C9 | C5 | CL1 | 118.2° | 120.0° |
| C9 | C5 | C10 | 120.3° | 120.1° |
| C5 | C9 | H9 | 120.5° | 119.9° |
| CL1 | C5 | C10 | 121.4° | 120.0° |
| C5 | C10 | C8 | 120.1° | 120.1° |
| C5 | C10 | H10 | 119.9° | 120.0° |
| C10 | C8 | C4 | 120.5° | 120.0° |
| C8 | C10 | H10 | 119.9° | 119.9° |
| C10 | C8 | H8 | 119.7° | 120.0° |
| C8 | C4 | N1 | 125.6° | 120.1° |
| C4 | C8 | H8 | 119.7° | 120.0° |
| C4 | N1 | C1 | 126.6° | 120.0° |
| C4 | N1 | H1 | 116.7° | 120.0° |
| N1 | C1 | N2 | 119.6° | 119.8° |
| N1 | C1 | C2 | 120.8° | 119.8° |
| C1 | N1 | H1 | 116.7° | 120.0° |
| N2 | C1 | C2 | 119.6° | 120.4° |
| C1 | N2 | C11 | 120.4° | 121.7° |
| C1 | C2 | C6 | 121.1° | 118.8° |
| C1 | C2 | C3 | 122.1° | 120.6° |
| N2 | C11 | C12 | 122.6° | 121.2° |
| N2 | C11 | H11 | 118.7° | 119.3° |
| C11 | C12 | C6 | 118.6° | 119.5° |
| C12 | C11 | H11 | 118.7° | 119.4° |
| C11 | C12 | H12 | 120.7° | 120.2° |
| C12 | C6 | C2 | 117.7° | 118.4° |
| C6 | C12 | H12 | 120.7° | 120.2° |
| C12 | C6 | H6 | 121.1° | 120.8° |
| C6 | C2 | C3 | 116.8° | 120.6° |
| C2 | C6 | H6 | 121.2° | 120.9° |
| C2 | C3 | O2 | 117.4° | 120.0° |
| C2 | C3 | O1 | 119.7° | 120.0° |
| O2 | C3 | O1 | 122.8° | 120.0° |
| C3 | O1 | HA | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C4 | H7 | 180.0° | 179.7° |
| C7 | C9 | C5 | H9 | 180.0° | 179.9° |
| C7 | C9 | C5 | CL1 | 178.2° | 180.0° |
| C7 | C9 | C5 | C10 | 1.9° | 0.1° |
| C9 | C7 | C4 | C8 | 3.1° | 0.0° |
| C9 | C7 | C4 | N1 | 179.3° | 180.0° |
| C4 | C7 | C9 | C5 | 1.5° | 0.0° |
| C7 | C4 | C8 | C10 | 5.1° | 0.0° |
| C7 | C4 | C8 | N1 | 175.8° | 180.0° |
| C7 | C4 | N1 | C1 | 171.2° | 149.3° |
| C4 | C7 | C9 | H9 | 178.5° | 180.0° |
| C7 | C4 | C8 | H8 | 174.9° | 180.0° |
| C7 | C4 | N1 | H1 | 8.8° | 30.7° |
| C9 | C5 | CL1 | C10 | 176.3° | 179.9° |
| C9 | C5 | C10 | C8 | 4.0° | 0.1° |
| C5 | C9 | C7 | H7 | 178.5° | 179.8° |
| C9 | C5 | C10 | H10 | 176.0° | 180.0° |
| CL1 | C5 | C10 | C8 | 179.8° | 180.0° |
| CL1 | C5 | C9 | H9 | 1.8° | 0.1° |
| CL1 | C5 | C10 | H10 | 0.2° | 0.1° |
| C5 | C10 | C8 | H10 | 180.0° | 179.9° |
| C5 | C10 | C8 | C4 | 5.7° | 0.1° |
| C10 | C5 | C9 | H9 | 178.1° | 180.0° |
| C5 | C10 | C8 | H8 | 174.3° | 179.9° |
| C10 | C8 | C4 | H8 | 180.0° | 180.0° |
| C10 | C8 | C4 | N1 | 179.1° | 180.0° |
| C8 | C4 | N1 | C1 | 13.0° | 30.7° |
| C8 | C4 | C7 | H7 | 176.9° | 179.7° |
| C4 | C8 | C10 | H10 | 174.4° | 180.0° |
| C8 | C4 | N1 | H1 | 167.0° | 149.3° |
| C4 | N1 | C1 | H1 | 180.0° | 180.0° |
| C4 | N1 | C1 | N2 | 22.4° | 3.2° |
| C4 | N1 | C1 | C2 | 157.0° | 177.0° |
| N1 | C4 | C7 | H7 | 0.7° | 0.3° |
| N1 | C4 | C8 | H8 | 0.9° | 0.0° |
| N1 | C1 | N2 | C2 | 179.4° | 179.7° |
| N1 | C1 | N2 | C11 | 179.0° | 180.0° |
| N1 | C1 | C2 | C6 | 179.9° | 179.7° |
| N1 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | N2 | C11 | C12 | 0.9° | 0.0° |
| N2 | C1 | C2 | C6 | 0.7° | 0.5° |
| N2 | C1 | C2 | C3 | 179.3° | 179.7° |
| N2 | C1 | N1 | H1 | 157.6° | 176.8° |
| C1 | N2 | C11 | H11 | 179.1° | 180.0° |
| C2 | C1 | N2 | C11 | 1.6° | 0.3° |
| C1 | C2 | C6 | C12 | 0.9° | 0.5° |
| C1 | C2 | C6 | C3 | 180.0° | 179.7° |
| C1 | C2 | C3 | O2 | 15.8° | 7.0° |
| C1 | C2 | C3 | O1 | 168.2° | 173.0° |
| C2 | C1 | N1 | H1 | 23.0° | 3.0° |
| C1 | C2 | C6 | H6 | 179.1° | 179.7° |
| N2 | C11 | C12 | H11 | 180.0° | 180.0° |
| N2 | C11 | C12 | C6 | 0.7° | 0.0° |
| N2 | C11 | C12 | H12 | 179.3° | 179.9° |
| C11 | C12 | C6 | H12 | 180.0° | 180.0° |
| C11 | C12 | C6 | C2 | 1.6° | 0.3° |
| C11 | C12 | C6 | H6 | 178.4° | 180.0° |
| C12 | C6 | C2 | H6 | 180.0° | 179.7° |
| C12 | C6 | C2 | C3 | 179.1° | 179.8° |
| C6 | C12 | C11 | H11 | 179.3° | 180.0° |
| C6 | C2 | C3 | O2 | 164.2° | 172.7° |
| C6 | C2 | C3 | O1 | 11.8° | 7.3° |
| C2 | C6 | C12 | H12 | 178.5° | 179.8° |
| C2 | C3 | O2 | O1 | 175.9° | 180.0° |
| C3 | C2 | C6 | H6 | 0.9° | 0.0° |
| C2 | C3 | O1 | HA | 175.8° | 180.0° |
| O2 | C3 | O1 | HA | 0.0° | 0.0° |
| H7 | C7 | C9 | H9 | 1.5° | 0.3° |
| H10 | C10 | C8 | H8 | 5.6° | 0.0° |
| H11 | C11 | C12 | H12 | 0.7° | 0.0° |
| H12 | C12 | C6 | H6 | 1.5° | 0.1° |
