QIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | O | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.6° | 119.6° |
| C10 | C11 | C12 | 120.6° | 121.1° |
| C11 | C10 | H6 | 119.7° | 120.2° |
| C10 | C11 | H12 | 119.7° | 119.5° |
| C10 | C9 | C8 | 123.3° | 122.0° |
| C10 | C9 | C14 | 119.1° | 119.3° |
| C9 | C10 | H6 | 119.7° | 120.2° |
| C11 | C12 | C13 | 120.5° | 121.0° |
| C11 | C12 | H11 | 119.7° | 119.5° |
| C12 | C11 | H12 | 119.7° | 119.4° |
| C9 | C8 | N2 | 124.3° | 120.2° |
| C8 | C9 | C14 | 117.6° | 118.7° |
| C9 | C8 | H5 | 117.8° | 119.9° |
| C8 | N2 | C7 | 117.5° | 122.9° |
| N2 | C8 | H5 | 117.9° | 120.0° |
| C9 | C14 | C13 | 118.2° | 119.6° |
| C9 | C14 | C6 | 118.0° | 118.2° |
| C12 | C13 | C14 | 121.0° | 119.5° |
| C12 | C13 | H7 | 119.5° | 120.3° |
| C13 | C12 | H11 | 119.7° | 119.5° |
| N2 | C7 | C6 | 124.9° | 121.6° |
| N2 | C7 | H4 | 117.6° | 119.2° |
| C13 | C14 | C6 | 123.8° | 122.2° |
| C14 | C13 | H7 | 119.5° | 120.2° |
| C14 | C6 | C7 | 117.6° | 118.4° |
| C14 | C6 | N1 | 118.9° | 120.8° |
| C7 | C6 | N1 | 123.3° | 120.8° |
| C6 | C7 | H4 | 117.6° | 119.2° |
| C6 | N1 | C5 | 128.0° | 120.0° |
| C6 | N1 | H1 | 116.0° | 120.0° |
| N1 | C5 | C4 | 114.1° | 120.0° |
| N1 | C5 | O | 123.6° | 120.0° |
| C5 | N1 | H1 | 116.0° | 120.0° |
| C4 | C5 | O | 122.3° | 120.0° |
| C5 | C4 | C3 | 112.7° | 109.5° |
| C5 | C4 | H2 | 108.6° | 109.5° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C4 | C3 | C15 | 121.2° | 120.4° |
| C4 | C3 | C2 | 121.3° | 120.4° |
| C3 | C4 | H2 | 108.7° | 109.5° |
| C3 | C4 | H3 | 108.7° | 109.4° |
| C15 | C3 | C2 | 117.4° | 119.2° |
| C3 | C15 | C | 119.1° | 118.4° |
| C3 | C15 | H8 | 120.5° | 120.8° |
| C3 | C2 | N | 124.2° | 120.8° |
| C3 | C2 | H9 | 117.9° | 119.7° |
| C15 | C | CL | 119.2° | 120.4° |
| C15 | C | C1 | 119.8° | 119.1° |
| C | C15 | H8 | 120.4° | 120.8° |
| C2 | N | C1 | 117.8° | 121.7° |
| N | C2 | H9 | 117.9° | 119.5° |
| CL | C | C1 | 120.9° | 120.5° |
| C | C1 | N | 121.7° | 120.7° |
| C | C1 | H10 | 119.1° | 119.6° |
| N | C1 | H10 | 119.1° | 119.6° |
| H2 | C4 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 179.2° | 180.0° |
| C11 | C10 | C9 | C14 | 0.6° | 0.2° |
| C10 | C11 | C12 | C13 | 0.2° | 0.4° |
| C10 | C11 | C12 | H11 | 179.8° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.1° |
| C10 | C9 | C8 | C14 | 179.8° | 179.8° |
| C10 | C9 | C8 | N2 | 179.9° | 180.0° |
| C10 | C9 | C14 | C13 | 0.5° | 0.2° |
| C10 | C9 | C14 | C6 | 179.2° | 179.8° |
| C10 | C9 | C8 | H5 | 0.1° | 0.0° |
| C9 | C10 | C11 | H12 | 179.7° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.3° |
| C12 | C11 | C10 | H6 | 179.7° | 179.9° |
| C11 | C12 | C13 | H7 | 179.7° | 179.7° |
| C9 | C8 | N2 | H5 | 180.0° | 180.0° |
| C9 | C8 | N2 | C7 | 0.4° | 0.3° |
| C8 | C9 | C14 | C13 | 179.3° | 180.0° |
| C8 | C9 | C14 | C6 | 1.0° | 0.0° |
| C8 | C9 | C10 | H6 | 0.8° | 0.0° |
| N2 | C8 | C9 | C14 | 0.2° | 0.3° |
| C8 | N2 | C7 | C6 | 0.2° | 0.0° |
| C8 | N2 | C7 | H4 | 179.8° | 180.0° |
| C9 | C14 | C13 | C12 | 0.1° | 0.0° |
| C9 | C14 | C13 | C6 | 179.7° | 180.0° |
| C9 | C14 | C6 | C7 | 1.1° | 0.2° |
| C9 | C14 | C6 | N1 | 174.2° | 180.0° |
| C14 | C9 | C8 | H5 | 179.7° | 179.8° |
| C14 | C9 | C10 | H6 | 179.4° | 179.8° |
| C9 | C14 | C13 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C6 | 179.7° | 179.9° |
| C13 | C12 | C11 | H12 | 179.8° | 179.7° |
| N2 | C7 | C6 | C14 | 0.5° | 0.3° |
| N2 | C7 | C6 | H4 | 180.0° | 180.0° |
| N2 | C7 | C6 | N1 | 174.6° | 180.0° |
| C7 | N2 | C8 | H5 | 179.7° | 179.8° |
| C13 | C14 | C6 | C7 | 179.2° | 179.7° |
| C13 | C14 | C6 | N1 | 5.5° | 0.0° |
| C14 | C13 | C12 | H11 | 179.7° | 180.0° |
| C14 | C6 | C7 | N1 | 175.1° | 179.8° |
| C14 | C6 | N1 | C5 | 94.6° | 145.7° |
| C14 | C6 | N1 | H1 | 85.4° | 34.6° |
| C14 | C6 | C7 | H4 | 179.5° | 179.8° |
| C6 | C14 | C13 | H7 | 0.3° | 0.0° |
| C7 | C6 | N1 | C5 | 80.4° | 34.5° |
| C7 | C6 | N1 | H1 | 99.6° | 145.2° |
| C6 | N1 | C5 | H1 | 180.0° | 179.7° |
| C6 | N1 | C5 | C4 | 178.3° | 175.8° |
| C6 | N1 | C5 | O | 1.8° | 4.1° |
| N1 | C6 | C7 | H4 | 5.4° | 0.0° |
| N1 | C5 | C4 | O | 179.9° | 179.9° |
| N1 | C5 | C4 | C3 | 163.5° | 180.0° |
| N1 | C5 | C4 | H2 | 76.0° | 60.0° |
| N1 | C5 | C4 | H3 | 43.0° | 60.1° |
| C5 | C4 | C3 | H2 | 120.5° | 120.1° |
| C5 | C4 | C3 | H3 | 120.5° | 120.0° |
| C5 | C4 | C3 | C15 | 96.1° | 90.1° |
| C5 | C4 | C3 | C2 | 80.2° | 90.0° |
| C4 | C5 | N1 | H1 | 1.7° | 4.5° |
| C5 | C4 | H2 | H3 | 118.5° | 120.0° |
| O | C5 | C4 | C3 | 16.5° | 0.1° |
| O | C5 | N1 | H1 | 178.2° | 175.6° |
| O | C5 | C4 | H2 | 104.0° | 120.0° |
| O | C5 | C4 | H3 | 137.0° | 120.0° |
| C4 | C3 | C15 | C2 | 176.4° | 180.0° |
| C4 | C3 | C15 | C | 174.8° | 180.0° |
| C4 | C3 | C2 | N | 175.5° | 180.0° |
| C3 | C4 | H2 | H3 | 118.5° | 119.9° |
| C4 | C3 | C15 | H8 | 5.1° | 0.3° |
| C4 | C3 | C2 | H9 | 4.5° | 0.0° |
| C3 | C15 | C | H8 | 180.0° | 179.7° |
| C15 | C3 | C2 | N | 0.9° | 0.0° |
| C3 | C15 | C | CL | 174.5° | 179.7° |
| C3 | C15 | C | C1 | 1.6° | 0.0° |
| C15 | C3 | C4 | H2 | 143.5° | 30.0° |
| C15 | C3 | C4 | H3 | 24.4° | 150.0° |
| C15 | C3 | C2 | H9 | 179.2° | 180.0° |
| C2 | C3 | C15 | C | 1.5° | 0.0° |
| C3 | C2 | N | H9 | 180.0° | 180.0° |
| C3 | C2 | N | C1 | 0.2° | 0.0° |
| C2 | C3 | C4 | H2 | 40.3° | 150.0° |
| C2 | C3 | C4 | H3 | 159.4° | 30.0° |
| C2 | C3 | C15 | H8 | 178.5° | 179.7° |
| C15 | C | CL | C1 | 176.1° | 179.7° |
| C15 | C | C1 | N | 1.0° | 0.0° |
| C15 | C | C1 | H10 | 179.0° | 180.0° |
| C2 | N | C1 | C | 0.3° | 0.0° |
| C2 | N | C1 | H10 | 179.8° | 180.0° |
| CL | C | C1 | N | 175.1° | 179.7° |
| CL | C | C15 | H8 | 5.5° | 0.0° |
| CL | C | C1 | H10 | 4.9° | 0.3° |
| C | C1 | N | H10 | 180.0° | 179.9° |
| C1 | C | C15 | H8 | 178.4° | 179.7° |
| C1 | N | C2 | H9 | 179.8° | 180.0° |
| H6 | C10 | C11 | H12 | 0.3° | 0.0° |
| H7 | C13 | C12 | H11 | 0.3° | 0.0° |
| H11 | C12 | C11 | H12 | 0.2° | 0.1° |
