QIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C10 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.40Å | 1.41Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C16 | sing | 1.51Å | 1.51Å | |
| C3 | O | sing | 1.43Å | 1.45Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.73Å | |
| C18 | C | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.37Å | Aromatic |
| C | F | sing | 1.35Å | 1.35Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.5° | 119.6° |
| C11 | C12 | C13 | 120.6° | 121.0° |
| C11 | C12 | H12 | 119.7° | 119.5° |
| C12 | C11 | H13 | 119.7° | 120.2° |
| C11 | C10 | C9 | 123.2° | 122.0° |
| C11 | C10 | C15 | 119.2° | 119.3° |
| C10 | C11 | H13 | 119.7° | 120.2° |
| C12 | C13 | C14 | 120.7° | 121.0° |
| C12 | C13 | H5 | 119.7° | 119.5° |
| C13 | C12 | H12 | 119.7° | 119.4° |
| C10 | C9 | N1 | 124.3° | 120.2° |
| C9 | C10 | C15 | 117.6° | 118.7° |
| C10 | C9 | H14 | 117.9° | 119.9° |
| C9 | N1 | C8 | 117.6° | 122.9° |
| N1 | C9 | H14 | 117.9° | 119.9° |
| C10 | C15 | C14 | 118.1° | 119.6° |
| C10 | C15 | C7 | 118.1° | 118.2° |
| N1 | C8 | C7 | 125.0° | 121.5° |
| N1 | C8 | H4 | 117.5° | 119.2° |
| C13 | C14 | C15 | 120.9° | 119.5° |
| C14 | C13 | H5 | 119.6° | 119.5° |
| C13 | C14 | H11 | 119.5° | 120.3° |
| C14 | C15 | C7 | 123.8° | 122.2° |
| C15 | C14 | H11 | 119.6° | 120.2° |
| C15 | C7 | C8 | 117.5° | 118.4° |
| C15 | C7 | N | 118.7° | 120.8° |
| C8 | C7 | N | 123.8° | 120.8° |
| C7 | C8 | H4 | 117.5° | 119.2° |
| C7 | N | C6 | 128.2° | 120.0° |
| C7 | N | H10 | 115.9° | 120.0° |
| N | C6 | C5 | 114.3° | 119.9° |
| N | C6 | O1 | 123.4° | 120.0° |
| C6 | N | H10 | 115.9° | 120.0° |
| C5 | C6 | O1 | 122.3° | 120.1° |
| C6 | C5 | C4 | 110.6° | 109.4° |
| C6 | C5 | C16 | 108.8° | 109.4° |
| C6 | C5 | H3 | 109.3° | 109.5° |
| C5 | C4 | C3 | 109.7° | 108.3° |
| C4 | C5 | C16 | 109.3° | 109.7° |
| C5 | C4 | H1 | 109.4° | 109.7° |
| C5 | C4 | H2 | 109.4° | 109.7° |
| C4 | C5 | H3 | 109.3° | 109.4° |
| C4 | C3 | O | 112.8° | 108.3° |
| C3 | C4 | H1 | 109.4° | 109.7° |
| C3 | C4 | H2 | 109.4° | 109.7° |
| C4 | C3 | H8 | 108.7° | 109.7° |
| C4 | C3 | H9 | 108.6° | 109.7° |
| C5 | C16 | C17 | 121.3° | 118.8° |
| C5 | C16 | C2 | 120.6° | 121.4° |
| C16 | C5 | H3 | 109.5° | 109.5° |
| C3 | O | C2 | 117.4° | 117.9° |
| O | C3 | H8 | 108.6° | 109.7° |
| O | C3 | H9 | 108.6° | 109.7° |
| C17 | C16 | C2 | 118.1° | 119.9° |
| C16 | C17 | C18 | 120.6° | 120.4° |
| C16 | C17 | H6 | 119.7° | 119.8° |
| C16 | C2 | O | 123.3° | 121.8° |
| C16 | C2 | C1 | 121.6° | 119.7° |
| C17 | C18 | CL | 120.2° | 120.1° |
| C17 | C18 | C | 119.7° | 119.9° |
| C18 | C17 | H6 | 119.7° | 119.8° |
| O | C2 | C1 | 115.1° | 118.5° |
| C2 | C1 | C | 118.3° | 120.3° |
| C2 | C1 | H7 | 120.8° | 119.9° |
| CL | C18 | C | 120.1° | 120.0° |
| C18 | C | C1 | 121.7° | 119.8° |
| C18 | C | F | 119.1° | 120.1° |
| C1 | C | F | 119.2° | 120.1° |
| C | C1 | H7 | 120.9° | 119.8° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H8 | C3 | H9 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 178.6° | 180.0° |
| C12 | C11 | C10 | C15 | 0.6° | 0.1° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H5 | 179.8° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | C15 | 179.2° | 179.9° |
| C11 | C10 | C9 | N1 | 179.6° | 179.9° |
| C11 | C10 | C15 | C14 | 0.4° | 0.1° |
| C11 | C10 | C15 | C7 | 180.0° | 179.9° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C11 | C10 | C9 | H14 | 0.4° | 0.0° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H11 | 179.9° | 180.0° |
| C13 | C12 | C11 | H13 | 179.5° | 180.0° |
| C10 | C9 | N1 | H14 | 180.0° | 180.0° |
| C10 | C9 | N1 | C8 | 0.2° | 0.0° |
| C9 | C10 | C15 | C14 | 178.8° | 180.0° |
| C9 | C10 | C15 | C7 | 0.7° | 0.1° |
| C9 | C10 | C11 | H13 | 1.4° | 0.1° |
| N1 | C9 | C10 | C15 | 0.4° | 0.0° |
| C9 | N1 | C8 | C7 | 0.4° | 0.0° |
| C9 | N1 | C8 | H4 | 179.6° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C14 | C7 | 179.6° | 180.0° |
| C10 | C15 | C7 | C8 | 0.9° | 0.0° |
| C10 | C15 | C7 | N | 175.3° | 180.0° |
| C10 | C15 | C14 | H11 | 179.9° | 180.0° |
| C15 | C10 | C11 | H13 | 179.4° | 180.0° |
| C15 | C10 | C9 | H14 | 179.6° | 179.9° |
| N1 | C8 | C7 | C15 | 0.8° | 0.0° |
| N1 | C8 | C7 | H4 | 180.0° | 180.0° |
| N1 | C8 | C7 | N | 175.2° | 180.0° |
| C8 | N1 | C9 | H14 | 179.8° | 179.9° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | C7 | 179.7° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C14 | C15 | C7 | C8 | 178.6° | 180.0° |
| C14 | C15 | C7 | N | 5.1° | 0.0° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C7 | C8 | N | 176.0° | 180.0° |
| C15 | C7 | N | C6 | 85.7° | 160.4° |
| C15 | C7 | C8 | H4 | 179.2° | 180.0° |
| C15 | C7 | N | H10 | 94.3° | 19.5° |
| C7 | C15 | C14 | H11 | 0.4° | 0.0° |
| C8 | C7 | N | C6 | 90.3° | 19.6° |
| C8 | C7 | N | H10 | 89.7° | 160.5° |
| C7 | N | C6 | H10 | 180.0° | 180.0° |
| C7 | N | C6 | C5 | 171.1° | 174.4° |
| C7 | N | C6 | O1 | 7.6° | 5.6° |
| N | C7 | C8 | H4 | 4.7° | 0.0° |
| N | C6 | C5 | O1 | 178.8° | 180.0° |
| N | C6 | C5 | C4 | 86.4° | 144.0° |
| N | C6 | C5 | C16 | 153.5° | 95.8° |
| N | C6 | C5 | H3 | 33.9° | 24.2° |
| C6 | C5 | C4 | C16 | 119.8° | 120.0° |
| C6 | C5 | C4 | H3 | 120.4° | 119.9° |
| C6 | C5 | C4 | C3 | 69.5° | 168.2° |
| C6 | C5 | C16 | H3 | 119.4° | 120.0° |
| C6 | C5 | C16 | C17 | 83.9° | 42.2° |
| C6 | C5 | C16 | C2 | 97.9° | 137.8° |
| C6 | C5 | C4 | H1 | 50.5° | 48.6° |
| C6 | C5 | C4 | H2 | 170.4° | 72.0° |
| C5 | C6 | N | H10 | 8.9° | 5.7° |
| O1 | C6 | C5 | C4 | 92.3° | 36.0° |
| O1 | C6 | C5 | C16 | 27.8° | 84.2° |
| O1 | C6 | C5 | H3 | 147.3° | 155.8° |
| O1 | C6 | N | H10 | 172.4° | 174.4° |
| C5 | C4 | C3 | H1 | 120.0° | 119.7° |
| C5 | C4 | C3 | H2 | 120.0° | 119.7° |
| C4 | C5 | C16 | H3 | 119.7° | 120.0° |
| C5 | C4 | C3 | O | 59.2° | 64.7° |
| C4 | C5 | C16 | C17 | 155.3° | 162.2° |
| C4 | C5 | C16 | C2 | 23.0° | 17.8° |
| C5 | C4 | H1 | H2 | 119.9° | 120.6° |
| C5 | C4 | C3 | H8 | 61.3° | 175.6° |
| C5 | C4 | C3 | H9 | 179.7° | 55.0° |
| C3 | C4 | C5 | C16 | 50.3° | 48.2° |
| C4 | C3 | O | H8 | 120.5° | 119.8° |
| C4 | C3 | O | H9 | 120.5° | 119.7° |
| C4 | C3 | O | C2 | 36.8° | 49.2° |
| C3 | C4 | H1 | H2 | 119.9° | 120.6° |
| C3 | C4 | C5 | H3 | 170.1° | 71.8° |
| C4 | C3 | H8 | H9 | 118.5° | 120.6° |
| C5 | C16 | C17 | C2 | 178.3° | 179.9° |
| C5 | C16 | C17 | C18 | 178.7° | 179.8° |
| C5 | C16 | C2 | O | 0.5° | 0.5° |
| C5 | C16 | C2 | C1 | 178.5° | 179.7° |
| C16 | C5 | C4 | H1 | 170.3° | 71.4° |
| C16 | C5 | C4 | H2 | 69.8° | 168.0° |
| C5 | C16 | C17 | H6 | 1.3° | 0.2° |
| C3 | O | C2 | C16 | 7.0° | 17.3° |
| C3 | O | C2 | C1 | 174.8° | 163.0° |
| O | C3 | C4 | H1 | 179.2° | 55.0° |
| O | C3 | C4 | H2 | 60.8° | 175.5° |
| O | C3 | H8 | H9 | 118.4° | 120.5° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C17 | C16 | C2 | O | 177.8° | 179.5° |
| C17 | C16 | C2 | C1 | 0.2° | 0.2° |
| C16 | C17 | C18 | CL | 175.9° | 180.0° |
| C16 | C17 | C18 | C | 0.7° | 0.0° |
| C17 | C16 | C5 | H3 | 35.6° | 77.7° |
| C2 | C16 | C17 | C18 | 0.4° | 0.1° |
| C16 | C2 | O | C1 | 178.1° | 179.8° |
| C16 | C2 | C1 | C | 0.3° | 0.2° |
| C2 | C16 | C5 | H3 | 142.7° | 102.2° |
| C2 | C16 | C17 | H6 | 179.6° | 179.9° |
| C16 | C2 | C1 | H7 | 179.6° | 179.8° |
| C17 | C18 | CL | C | 176.6° | 180.0° |
| C17 | C18 | C | C1 | 0.8° | 0.0° |
| C17 | C18 | C | F | 179.7° | 179.9° |
| O | C2 | C1 | C | 177.8° | 179.6° |
| O | C2 | C1 | H7 | 2.2° | 0.4° |
| C2 | O | C3 | H8 | 83.7° | 169.0° |
| C2 | O | C3 | H9 | 157.3° | 70.5° |
| C2 | C1 | C | C18 | 0.6° | 0.1° |
| C2 | C1 | C | H7 | 180.0° | 180.0° |
| C2 | C1 | C | F | 179.9° | 180.0° |
| CL | C18 | C | C1 | 175.8° | 180.0° |
| CL | C18 | C | F | 3.7° | 0.1° |
| CL | C18 | C17 | H6 | 4.1° | 0.0° |
| C18 | C | C1 | F | 179.5° | 179.9° |
| C | C18 | C17 | H6 | 179.3° | 180.0° |
| C18 | C | C1 | H7 | 179.3° | 180.0° |
| F | C | C1 | H7 | 0.1° | 0.1° |
| H1 | C4 | C5 | H3 | 69.8° | 168.5° |
| H1 | C4 | C3 | H8 | 58.7° | 64.7° |
| H1 | C4 | C3 | H9 | 60.3° | 174.7° |
| H2 | C4 | C5 | H3 | 50.1° | 47.9° |
| H2 | C4 | C3 | H8 | 178.7° | 55.8° |
| H2 | C4 | C3 | H9 | 59.7° | 64.8° |
| H5 | C13 | C14 | H11 | 0.0° | 0.0° |
| H5 | C13 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C11 | H13 | 0.5° | 0.1° |
