GQW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| CL | C4 | sing | 1.74Å | 1.73Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| N | O1 | sing | 1.42Å | 1.39Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| C1 | C | sing | 1.48Å | 1.49Å | |
| C1 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C | O | doub | 1.22Å | 1.23Å | |
| C5 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| O2 | C6 | doub | 1.22Å | 1.23Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| S | C14 | sing | 1.76Å | 1.74Å | Aromatic |
| S | C13 | sing | 1.75Å | 1.72Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.45Å | 1.43Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 119.7° | 120.2° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C3 | C2 | H1 | 119.9° | 120.0° |
| C2 | C3 | H2 | 120.1° | 119.9° |
| C3 | C4 | CL | 118.6° | 119.9° |
| C3 | C4 | C5 | 121.2° | 120.2° |
| C4 | C3 | H2 | 120.1° | 119.9° |
| C2 | C1 | C | 127.2° | 120.1° |
| C2 | C1 | C15 | 119.3° | 119.8° |
| C1 | C2 | H1 | 119.8° | 120.0° |
| CL | C4 | C5 | 120.0° | 119.9° |
| C4 | C5 | C15 | 118.1° | 120.0° |
| C4 | C5 | N1 | 123.6° | 120.0° |
| O1 | N | C | 119.1° | 120.0° |
| O1 | N | H5 | 120.4° | 120.0° |
| N | O1 | H11 | 109.5° | 114.0° |
| N | C | C1 | 117.6° | 120.0° |
| N | C | O | 122.0° | 120.1° |
| C | N | H5 | 120.5° | 120.0° |
| C | C1 | C15 | 113.4° | 120.1° |
| C1 | C | O | 120.3° | 120.0° |
| C1 | C15 | C5 | 121.3° | 119.8° |
| C1 | C15 | H9 | 119.3° | 120.1° |
| C15 | C5 | N1 | 117.2° | 120.0° |
| C5 | C15 | H9 | 119.4° | 120.1° |
| C5 | N1 | C6 | 138.0° | 120.0° |
| C5 | N1 | H3 | 111.0° | 120.0° |
| O2 | C6 | N1 | 123.8° | 120.0° |
| O2 | C6 | C7 | 121.0° | 120.0° |
| N1 | C6 | C7 | 115.0° | 120.1° |
| C6 | N1 | H3 | 111.0° | 120.0° |
| C6 | C7 | C8 | 118.6° | 120.0° |
| C6 | C7 | C14 | 122.8° | 120.1° |
| C8 | C7 | C14 | 118.5° | 120.0° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | H4 | 119.9° | 120.0° |
| C7 | C14 | S | 126.5° | 130.5° |
| C7 | C14 | C11 | 122.3° | 119.7° |
| C14 | S | C13 | 91.0° | 92.2° |
| S | C14 | C11 | 111.3° | 109.7° |
| S | C13 | C12 | 113.6° | 111.4° |
| S | C13 | H8 | 123.2° | 124.3° |
| C8 | C9 | C10 | 120.7° | 120.7° |
| C9 | C8 | H4 | 119.9° | 120.0° |
| C8 | C9 | H10 | 119.7° | 119.7° |
| C14 | C11 | C10 | 117.0° | 119.0° |
| C14 | C11 | C12 | 111.5° | 111.8° |
| C9 | C10 | C11 | 121.3° | 120.7° |
| C9 | C10 | H6 | 119.4° | 119.7° |
| C10 | C9 | H10 | 119.7° | 119.6° |
| C13 | C12 | C11 | 112.6° | 114.9° |
| C13 | C12 | H7 | 123.7° | 122.5° |
| C12 | C13 | H8 | 123.2° | 124.3° |
| C10 | C11 | C12 | 131.4° | 129.2° |
| C11 | C10 | H6 | 119.3° | 119.7° |
| C11 | C12 | H7 | 123.7° | 122.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | CL | 175.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C1 | C | 175.8° | 180.0° |
| C3 | C2 | C1 | C15 | 0.8° | 0.2° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C3 | C4 | CL | C5 | 175.8° | 179.9° |
| C3 | C4 | C5 | C15 | 1.6° | 0.2° |
| C3 | C4 | C5 | N1 | 165.9° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C2 | C1 | C | N | 29.9° | 0.3° |
| C2 | C1 | C | C15 | 176.8° | 179.7° |
| C2 | C1 | C | O | 152.4° | 179.8° |
| C2 | C1 | C15 | C5 | 2.3° | 0.5° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C15 | H9 | 177.7° | 179.8° |
| CL | C4 | C5 | C15 | 174.1° | 179.7° |
| CL | C4 | C5 | N1 | 18.4° | 0.1° |
| CL | C4 | C3 | H2 | 4.4° | 0.0° |
| C4 | C5 | C15 | C1 | 2.7° | 0.5° |
| C4 | C5 | C15 | N1 | 168.3° | 179.8° |
| C4 | C5 | N1 | C6 | 20.2° | 154.9° |
| C5 | C4 | C3 | H2 | 179.8° | 179.9° |
| C4 | C5 | N1 | H3 | 159.8° | 25.0° |
| C4 | C5 | C15 | H9 | 177.3° | 179.8° |
| O1 | N | C | H5 | 180.0° | 180.0° |
| O1 | N | C | C1 | 170.0° | 180.0° |
| O1 | N | C | O | 7.7° | 0.0° |
| N | C | C1 | O | 177.7° | 180.0° |
| N | C | C1 | C15 | 153.4° | 180.0° |
| C | N | O1 | H11 | 3.6° | 180.0° |
| C | C1 | C15 | C5 | 174.7° | 179.8° |
| C | C1 | C2 | H1 | 4.2° | 0.0° |
| C1 | C | N | H5 | 10.0° | 0.0° |
| C | C1 | C15 | H9 | 5.3° | 0.1° |
| C15 | C1 | C | O | 24.3° | 0.0° |
| C1 | C15 | C5 | H9 | 180.0° | 179.7° |
| C1 | C15 | C5 | N1 | 165.6° | 179.7° |
| C15 | C1 | C2 | H1 | 179.2° | 179.7° |
| O | C | N | H5 | 172.3° | 179.9° |
| C15 | C5 | N1 | C6 | 147.4° | 24.9° |
| C15 | C5 | N1 | H3 | 32.6° | 155.2° |
| C5 | N1 | C6 | O2 | 14.9° | 5.5° |
| C5 | N1 | C6 | H3 | 180.0° | 179.9° |
| C5 | N1 | C6 | C7 | 168.7° | 174.5° |
| N1 | C5 | C15 | H9 | 14.4° | 0.0° |
| O2 | C6 | N1 | C7 | 176.3° | 180.0° |
| O2 | C6 | C7 | C8 | 120.4° | 180.0° |
| O2 | C6 | C7 | C14 | 58.3° | 0.3° |
| O2 | C6 | N1 | H3 | 165.1° | 174.4° |
| N1 | C6 | C7 | C8 | 63.1° | 0.0° |
| N1 | C6 | C7 | C14 | 118.1° | 179.7° |
| C6 | C7 | C8 | C14 | 178.8° | 179.7° |
| C6 | C7 | C14 | S | 4.2° | 0.0° |
| C6 | C7 | C8 | C9 | 177.8° | 180.0° |
| C6 | C7 | C14 | C11 | 176.8° | 180.0° |
| C7 | C6 | N1 | H3 | 11.3° | 5.6° |
| C6 | C7 | C8 | H4 | 2.2° | 0.0° |
| C8 | C7 | C14 | S | 177.0° | 179.8° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C14 | C11 | 1.9° | 0.3° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H10 | 179.6° | 180.0° |
| C7 | C14 | S | C11 | 179.0° | 180.0° |
| C7 | C14 | S | C13 | 179.5° | 180.0° |
| C14 | C7 | C8 | C9 | 1.0° | 0.3° |
| C7 | C14 | C11 | C10 | 1.3° | 0.0° |
| C7 | C14 | C11 | C12 | 179.8° | 180.0° |
| C14 | C7 | C8 | H4 | 179.0° | 179.7° |
| C14 | S | C13 | C12 | 0.1° | 0.0° |
| S | C14 | C11 | C10 | 177.8° | 180.0° |
| S | C14 | C11 | C12 | 0.7° | 0.1° |
| C14 | S | C13 | H8 | 179.9° | 180.0° |
| C13 | S | C14 | C11 | 0.5° | 0.0° |
| S | C13 | C12 | H8 | 180.0° | 180.0° |
| S | C13 | C12 | C11 | 0.3° | 0.1° |
| S | C13 | C12 | H7 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.0° | 0.3° |
| C8 | C9 | C10 | H6 | 179.0° | 180.0° |
| C14 | C11 | C10 | C9 | 0.2° | 0.3° |
| C14 | C11 | C12 | C13 | 0.6° | 0.1° |
| C14 | C11 | C10 | C12 | 178.2° | 179.9° |
| C14 | C11 | C10 | H6 | 179.8° | 180.0° |
| C14 | C11 | C12 | H7 | 179.4° | 180.0° |
| C9 | C10 | C11 | H6 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 178.0° | 179.7° |
| C10 | C9 | C8 | H4 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 177.6° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | H7 | 2.4° | 0.1° |
| C11 | C10 | C9 | H10 | 179.0° | 179.8° |
| C12 | C11 | C10 | H6 | 2.0° | 0.0° |
| C11 | C12 | C13 | H8 | 179.7° | 179.9° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H4 | C8 | C9 | H10 | 0.4° | 0.1° |
| H5 | N | O1 | H11 | 176.4° | 0.0° |
| H6 | C10 | C9 | H10 | 1.0° | 0.1° |
| H7 | C12 | C13 | H8 | 0.3° | 0.0° |
