4H5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C11 | trip | 1.14Å | 1.16Å | |
| C11 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | N1 | sing | 1.47Å | 1.48Å | |
| CL | C8 | sing | 1.74Å | 1.76Å | |
| N1 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| N1 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.36Å | Aromatic |
| C8 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C | O | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.41Å | 1.32Å | Aromatic |
| C12 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
| N | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C11 | C10 | 170.0° | 179.9° |
| C11 | C10 | N1 | 115.9° | 109.4° |
| C11 | C10 | H3 | 107.8° | 109.5° |
| C11 | C10 | H4 | 107.8° | 109.5° |
| C10 | N1 | C9 | 121.8° | 124.9° |
| C10 | N1 | C12 | 129.4° | 124.9° |
| N1 | C10 | H3 | 107.8° | 109.4° |
| N1 | C10 | H4 | 107.8° | 109.5° |
| CL | C8 | C9 | 120.2° | 119.7° |
| CL | C8 | N | 119.1° | 119.7° |
| C9 | N1 | C12 | 108.7° | 110.2° |
| N1 | C9 | C8 | 130.8° | 133.2° |
| N1 | C9 | C5 | 109.3° | 108.3° |
| N1 | C12 | C13 | 136.8° | 132.1° |
| N1 | C12 | C4 | 106.3° | 108.4° |
| C9 | C8 | N | 120.7° | 120.5° |
| C8 | C9 | C5 | 119.9° | 118.5° |
| C8 | N | C7 | 120.4° | 122.4° |
| C | O | C1 | 122.3° | 117.0° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.5° |
| O | C | H8 | 109.5° | 109.5° |
| C12 | C13 | C1 | 120.3° | 120.0° |
| C13 | C12 | C4 | 117.0° | 119.4° |
| C12 | C13 | H5 | 119.9° | 120.0° |
| C13 | C1 | O | 122.3° | 119.8° |
| C13 | C1 | C2 | 120.3° | 120.4° |
| C1 | C13 | H5 | 119.9° | 120.0° |
| C9 | C5 | C4 | 107.2° | 106.6° |
| C9 | C5 | C6 | 121.6° | 118.8° |
| C12 | C4 | C5 | 108.4° | 106.4° |
| C12 | C4 | C3 | 124.7° | 120.0° |
| N | C7 | C6 | 120.0° | 121.0° |
| N | C7 | H2 | 120.0° | 119.4° |
| O | C1 | C2 | 117.4° | 119.8° |
| C1 | C2 | C3 | 119.3° | 120.3° |
| C1 | C2 | H9 | 120.4° | 119.8° |
| C4 | C5 | C6 | 131.2° | 134.6° |
| C5 | C4 | C3 | 126.8° | 133.5° |
| C5 | C6 | C7 | 117.5° | 118.8° |
| C5 | C6 | H1 | 121.3° | 120.6° |
| C4 | C3 | C2 | 118.5° | 119.9° |
| C4 | C3 | H10 | 120.7° | 120.1° |
| C7 | C6 | H1 | 121.2° | 120.6° |
| C6 | C7 | H2 | 120.0° | 119.5° |
| C3 | C2 | H9 | 120.3° | 119.9° |
| C2 | C3 | H10 | 120.8° | 120.0° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.4° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C11 | C10 | N1 | 139.4° | 73.6° |
| N2 | C11 | C10 | H3 | 18.4° | 166.4° |
| N2 | C11 | C10 | H4 | 99.7° | 46.4° |
| C11 | C10 | N1 | H3 | 120.9° | 119.9° |
| C11 | C10 | N1 | H4 | 120.9° | 120.1° |
| C11 | C10 | N1 | C9 | 164.7° | 90.1° |
| C11 | C10 | N1 | C12 | 15.7° | 90.0° |
| C11 | C10 | H3 | H4 | 117.1° | 120.1° |
| C10 | N1 | C9 | C12 | 179.6° | 180.0° |
| C10 | N1 | C9 | C8 | 1.2° | 0.0° |
| C10 | N1 | C12 | C13 | 0.3° | 0.0° |
| C10 | N1 | C9 | C5 | 179.9° | 179.7° |
| C10 | N1 | C12 | C4 | 179.4° | 179.6° |
| N1 | C10 | H3 | H4 | 117.1° | 120.0° |
| CL | C8 | C9 | N1 | 0.7° | 0.0° |
| CL | C8 | C9 | N | 179.6° | 179.8° |
| CL | C8 | C9 | C5 | 179.3° | 179.7° |
| CL | C8 | N | C7 | 179.6° | 179.7° |
| N1 | C9 | C8 | C5 | 178.6° | 179.7° |
| N1 | C9 | C8 | N | 179.7° | 179.9° |
| C9 | N1 | C12 | C13 | 179.2° | 179.9° |
| C9 | N1 | C12 | C4 | 1.0° | 0.4° |
| N1 | C9 | C5 | C4 | 0.1° | 0.1° |
| N1 | C9 | C5 | C6 | 179.9° | 180.0° |
| C9 | N1 | C10 | H3 | 43.8° | 150.0° |
| C9 | N1 | C10 | H4 | 74.4° | 30.0° |
| C12 | N1 | C9 | C8 | 179.2° | 180.0° |
| N1 | C12 | C13 | C4 | 179.8° | 179.6° |
| N1 | C12 | C13 | C1 | 179.8° | 180.0° |
| C12 | N1 | C9 | C5 | 0.5° | 0.3° |
| N1 | C12 | C4 | C5 | 1.0° | 0.4° |
| N1 | C12 | C4 | C3 | 179.3° | 179.8° |
| C12 | N1 | C10 | H3 | 136.7° | 30.0° |
| C12 | N1 | C10 | H4 | 105.2° | 150.0° |
| N1 | C12 | C13 | H5 | 0.2° | 0.0° |
| C9 | C8 | N | C7 | 0.0° | 0.4° |
| C8 | C9 | C5 | C4 | 178.7° | 179.8° |
| C8 | C9 | C5 | C6 | 1.2° | 0.3° |
| N | C8 | C9 | C5 | 1.1° | 0.5° |
| C8 | N | C7 | C6 | 0.9° | 0.2° |
| C8 | N | C7 | H2 | 179.1° | 179.7° |
| C | O | C1 | C13 | 9.9° | 180.0° |
| C | O | C1 | C2 | 170.5° | 0.0° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| O | C | H6 | H8 | 120.0° | 120.1° |
| O | C | H7 | H8 | 120.0° | 120.1° |
| C12 | C13 | C1 | H5 | 180.0° | 180.0° |
| C12 | C13 | C1 | O | 179.2° | 180.0° |
| C12 | C13 | C1 | C2 | 0.3° | 0.0° |
| C13 | C12 | C4 | C5 | 179.1° | 179.9° |
| C13 | C12 | C4 | C3 | 0.9° | 0.1° |
| C1 | C13 | C12 | C4 | 0.4° | 0.4° |
| C13 | C1 | O | C2 | 179.6° | 180.0° |
| C13 | C1 | C2 | C3 | 0.6° | 0.8° |
| C13 | C1 | C2 | H9 | 179.3° | 180.0° |
| C9 | C5 | C4 | C12 | 0.8° | 0.2° |
| C9 | C5 | C4 | C6 | 180.0° | 179.9° |
| C9 | C5 | C4 | C3 | 178.9° | 180.0° |
| C9 | C5 | C6 | C7 | 0.4° | 0.0° |
| C9 | C5 | C6 | H1 | 179.6° | 179.9° |
| C12 | C4 | C5 | C3 | 178.2° | 179.8° |
| C12 | C4 | C5 | C6 | 179.3° | 179.7° |
| C12 | C4 | C3 | C2 | 0.6° | 0.7° |
| C4 | C12 | C13 | H5 | 179.6° | 179.6° |
| C12 | C4 | C3 | H10 | 179.4° | 179.7° |
| N | C7 | C6 | C5 | 0.7° | 0.0° |
| N | C7 | C6 | H2 | 180.0° | 179.9° |
| N | C7 | C6 | H1 | 179.3° | 180.0° |
| O | C1 | C2 | C3 | 178.9° | 179.2° |
| O | C1 | C13 | H5 | 0.8° | 0.0° |
| C1 | O | C | H6 | 180.0° | 60.1° |
| C1 | O | C | H7 | 60.0° | 180.0° |
| C1 | O | C | H8 | 60.0° | 60.0° |
| O | C1 | C2 | H9 | 1.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.2° | 1.1° |
| C1 | C2 | C3 | H9 | 180.0° | 179.2° |
| C2 | C1 | C13 | H5 | 179.7° | 180.0° |
| C1 | C2 | C3 | H10 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | C3 | C2 | 178.5° | 179.1° |
| C4 | C5 | C6 | H1 | 0.4° | 0.0° |
| C5 | C4 | C3 | H10 | 1.5° | 0.1° |
| C6 | C5 | C4 | C3 | 1.1° | 0.1° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | H2 | 179.3° | 179.9° |
| C4 | C3 | C2 | H10 | 180.0° | 179.0° |
| C4 | C3 | C2 | H9 | 179.8° | 179.7° |
| H1 | C6 | C7 | H2 | 0.7° | 0.1° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H9 | C2 | C3 | H10 | 0.2° | 0.7° |
