0X2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N2 | doub | 1.29Å | 1.34Å | |
| C10 | C9 | sing | 1.51Å | 1.40Å | |
| CL1 | C5 | sing | 1.74Å | 1.78Å | |
| N2 | C11 | sing | 1.34Å | 1.36Å | |
| C9 | C8 | sing | 1.52Å | 1.40Å | |
| C11 | O2 | doub | 1.22Å | 1.25Å | |
| C11 | C12 | sing | 1.41Å | 1.40Å | |
| C8 | C12 | doub | 1.35Å | 1.39Å | |
| C8 | N1 | sing | 1.37Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.35Å | 1.34Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C7 | C4 | sing | 1.48Å | 1.52Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | CL2 | sing | 1.74Å | 1.75Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C10 | C9 | 119.8° | 118.9° |
| C10 | N2 | C11 | 121.0° | 123.1° |
| N2 | C10 | H4 | 120.1° | 120.5° |
| C10 | C9 | C8 | 120.6° | 117.0° |
| C10 | C9 | H2 | 106.6° | 108.1° |
| C10 | C9 | H3 | 106.6° | 107.7° |
| C9 | C10 | H4 | 120.0° | 120.6° |
| CL1 | C5 | C6 | 119.4° | 120.0° |
| CL1 | C5 | C4 | 119.1° | 120.1° |
| N2 | C11 | O2 | 119.1° | 118.3° |
| N2 | C11 | C12 | 121.3° | 123.5° |
| C9 | C8 | C12 | 118.1° | 117.1° |
| C9 | C8 | N1 | 117.6° | 121.4° |
| C8 | C9 | H2 | 106.6° | 107.9° |
| C8 | C9 | H3 | 106.6° | 107.9° |
| O2 | C11 | C12 | 119.6° | 118.3° |
| C11 | C12 | C8 | 119.0° | 120.4° |
| C11 | C12 | H5 | 120.5° | 119.8° |
| C12 | C8 | N1 | 124.1° | 121.5° |
| C8 | C12 | H5 | 120.5° | 119.8° |
| C8 | N1 | C7 | 128.5° | 120.0° |
| C8 | N1 | H6 | 115.8° | 120.0° |
| C6 | C5 | C4 | 121.5° | 119.9° |
| C5 | C6 | C1 | 120.5° | 120.1° |
| C5 | C6 | H1 | 119.8° | 120.0° |
| C5 | C4 | C7 | 120.1° | 120.2° |
| C5 | C4 | C3 | 116.6° | 119.7° |
| N1 | C7 | O1 | 122.1° | 120.0° |
| N1 | C7 | C4 | 115.9° | 120.0° |
| C7 | N1 | H6 | 115.7° | 120.1° |
| C6 | C1 | C2 | 118.9° | 120.3° |
| C1 | C6 | H1 | 119.7° | 119.9° |
| C6 | C1 | H8 | 120.5° | 119.9° |
| O1 | C7 | C4 | 122.0° | 120.0° |
| C7 | C4 | C3 | 123.3° | 120.1° |
| C4 | C3 | C2 | 123.8° | 119.8° |
| C4 | C3 | CL2 | 117.2° | 120.1° |
| C1 | C2 | C3 | 118.7° | 120.2° |
| C1 | C2 | H7 | 120.7° | 119.9° |
| C2 | C1 | H8 | 120.6° | 119.8° |
| C2 | C3 | CL2 | 119.0° | 120.1° |
| C3 | C2 | H7 | 120.6° | 119.9° |
| H2 | C9 | H3 | 109.5° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C10 | C9 | H4 | 180.0° | 179.9° |
| N2 | C10 | C9 | C8 | 1.5° | 0.3° |
| C10 | N2 | C11 | O2 | 179.1° | 180.0° |
| C10 | N2 | C11 | C12 | 1.2° | 0.2° |
| N2 | C10 | C9 | H2 | 120.1° | 121.7° |
| N2 | C10 | C9 | H3 | 123.0° | 122.0° |
| C9 | C10 | N2 | C11 | 1.4° | 0.1° |
| C10 | C9 | C8 | H2 | 121.5° | 122.1° |
| C10 | C9 | C8 | H3 | 121.6° | 121.6° |
| C10 | C9 | C8 | C12 | 1.3° | 0.2° |
| C10 | C9 | C8 | N1 | 178.0° | 179.7° |
| C10 | C9 | H2 | H3 | 114.9° | 116.2° |
| CL1 | C5 | C6 | C4 | 179.5° | 180.0° |
| CL1 | C5 | C6 | C1 | 179.6° | 180.0° |
| CL1 | C5 | C4 | C7 | 0.8° | 0.3° |
| CL1 | C5 | C4 | C3 | 179.9° | 180.0° |
| CL1 | C5 | C6 | H1 | 0.4° | 0.0° |
| N2 | C11 | O2 | C12 | 179.7° | 179.8° |
| N2 | C11 | C12 | C8 | 1.1° | 0.2° |
| C11 | N2 | C10 | H4 | 178.6° | 179.9° |
| N2 | C11 | C12 | H5 | 178.9° | 179.8° |
| C9 | C8 | C12 | C11 | 1.1° | 0.0° |
| C9 | C8 | C12 | N1 | 176.4° | 179.9° |
| C9 | C8 | N1 | C7 | 171.0° | 5.1° |
| C8 | C9 | H2 | H3 | 115.0° | 116.4° |
| C8 | C9 | C10 | H4 | 178.5° | 179.9° |
| C9 | C8 | C12 | H5 | 178.8° | 180.0° |
| C9 | C8 | N1 | H6 | 9.0° | 174.9° |
| O2 | C11 | C12 | C8 | 179.3° | 180.0° |
| O2 | C11 | C12 | H5 | 0.8° | 0.0° |
| C11 | C12 | C8 | H5 | 180.0° | 179.9° |
| C11 | C12 | C8 | N1 | 177.6° | 180.0° |
| C12 | C8 | N1 | C7 | 5.4° | 175.0° |
| C12 | C8 | C9 | H2 | 120.2° | 121.9° |
| C12 | C8 | C9 | H3 | 122.9° | 121.8° |
| C12 | C8 | N1 | H6 | 174.6° | 5.0° |
| C8 | N1 | C7 | H6 | 180.0° | 180.0° |
| C8 | N1 | C7 | O1 | 4.0° | 5.1° |
| C8 | N1 | C7 | C4 | 176.5° | 174.9° |
| N1 | C8 | C9 | H2 | 56.5° | 58.2° |
| N1 | C8 | C9 | H3 | 60.4° | 58.1° |
| N1 | C8 | C12 | H5 | 2.4° | 0.1° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C7 | 179.6° | 179.7° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H8 | 179.9° | 180.0° |
| C5 | C4 | C7 | N1 | 66.6° | 89.7° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C7 | O1 | 113.9° | 90.3° |
| C5 | C4 | C7 | C3 | 179.3° | 179.7° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C5 | C4 | C3 | CL2 | 179.6° | 180.0° |
| C4 | C5 | C6 | H1 | 179.9° | 180.0° |
| N1 | C7 | O1 | C4 | 179.4° | 179.9° |
| N1 | C7 | C4 | C3 | 112.6° | 90.0° |
| C6 | C1 | C2 | H8 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | H7 | 179.6° | 180.0° |
| O1 | C7 | C4 | C3 | 66.8° | 90.1° |
| O1 | C7 | N1 | H6 | 176.0° | 174.9° |
| C7 | C4 | C3 | C2 | 179.9° | 179.7° |
| C7 | C4 | C3 | CL2 | 1.1° | 0.3° |
| C4 | C7 | N1 | H6 | 3.5° | 5.1° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C4 | C3 | C2 | CL2 | 178.9° | 180.0° |
| C4 | C3 | C2 | H7 | 179.3° | 179.9° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | CL2 | 179.6° | 180.0° |
| C2 | C1 | C6 | H1 | 179.9° | 180.0° |
| C3 | C2 | C1 | H8 | 179.6° | 179.9° |
| CL2 | C3 | C2 | H7 | 0.4° | 0.0° |
| H1 | C6 | C1 | H8 | 0.1° | 0.1° |
| H2 | C9 | C10 | H4 | 59.9° | 58.1° |
| H3 | C9 | C10 | H4 | 57.0° | 58.2° |
| H7 | C2 | C1 | H8 | 0.4° | 0.1° |
