7GC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| O3 | S4 | doub | 1.42Å | 1.44Å | |
| C1 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | S4 | sing | 1.76Å | 1.60Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| S4 | O7 | doub | 1.42Å | 1.44Å | |
| S4 | N2 | sing | 1.66Å | 1.62Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C16 | sing | 1.35Å | 1.35Å | |
| N10 | C18 | sing | 1.32Å | 1.38Å | Aromatic |
| N10 | C17 | doub | 1.30Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.33Å | 1.39Å | Aromatic |
| C16 | O11 | doub | 1.22Å | 1.22Å | |
| C16 | N6 | sing | 1.35Å | 1.34Å | |
| C17 | N6 | sing | 1.39Å | 1.38Å | |
| C17 | S8 | sing | 1.71Å | 1.73Å | Aromatic |
| C19 | S8 | sing | 1.76Å | 1.73Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C9 | C5 | 120.1° | 120.0° |
| C9 | C12 | C13 | 119.9° | 120.0° |
| C12 | C9 | H4 | 120.0° | 120.0° |
| C9 | C12 | H11 | 120.0° | 120.0° |
| C9 | C5 | C1 | 120.7° | 120.0° |
| C9 | C5 | C15 | 120.3° | 120.0° |
| C5 | C9 | H4 | 120.0° | 120.0° |
| C12 | C13 | S4 | 120.1° | 120.0° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C13 | C12 | H11 | 120.0° | 120.0° |
| O3 | S4 | C13 | 109.5° | 106.4° |
| O3 | S4 | O7 | 107.8° | 123.1° |
| O3 | S4 | N2 | 109.0° | 106.4° |
| C1 | C5 | C15 | 119.0° | 120.0° |
| C5 | C1 | H1 | 109.5° | 109.5° |
| C5 | C1 | H2 | 109.5° | 109.5° |
| C5 | C1 | H3 | 109.5° | 109.5° |
| C5 | C15 | C14 | 119.9° | 120.0° |
| C5 | C15 | H6 | 120.1° | 120.0° |
| S4 | C13 | C14 | 120.2° | 120.0° |
| C13 | S4 | O7 | 110.6° | 106.4° |
| C13 | S4 | N2 | 108.5° | 107.2° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | H5 | 119.9° | 120.0° |
| O7 | S4 | N2 | 111.5° | 106.4° |
| S4 | N2 | C16 | 124.3° | 120.0° |
| S4 | N2 | H9 | 117.8° | 119.9° |
| C15 | C14 | H5 | 119.9° | 120.0° |
| C14 | C15 | H6 | 120.1° | 120.0° |
| N2 | C16 | O11 | 121.0° | 120.0° |
| N2 | C16 | N6 | 122.4° | 120.0° |
| C16 | N2 | H9 | 117.9° | 120.1° |
| C18 | N10 | C17 | 113.4° | 116.9° |
| N10 | C18 | C19 | 112.8° | 114.6° |
| N10 | C18 | H7 | 123.6° | 122.7° |
| N10 | C17 | N6 | 125.0° | 124.9° |
| N10 | C17 | S8 | 112.3° | 110.1° |
| C18 | C19 | S8 | 110.9° | 108.1° |
| C19 | C18 | H7 | 123.6° | 122.7° |
| C18 | C19 | H8 | 124.5° | 126.0° |
| O11 | C16 | N6 | 116.6° | 120.0° |
| C16 | N6 | C17 | 129.2° | 120.0° |
| C16 | N6 | H10 | 115.4° | 119.9° |
| N6 | C17 | S8 | 122.7° | 125.0° |
| C17 | N6 | H10 | 115.4° | 120.1° |
| C17 | S8 | C19 | 90.6° | 90.3° |
| S8 | C19 | H8 | 124.5° | 125.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C9 | C5 | H4 | 180.0° | 179.7° |
| C9 | C12 | C13 | H11 | 180.0° | 180.0° |
| C12 | C9 | C5 | C1 | 179.7° | 180.0° |
| C12 | C9 | C5 | C15 | 0.4° | 0.1° |
| C9 | C12 | C13 | S4 | 179.6° | 180.0° |
| C9 | C12 | C13 | C14 | 0.3° | 0.0° |
| C5 | C9 | C12 | C13 | 0.4° | 0.0° |
| C9 | C5 | C1 | C15 | 179.9° | 179.9° |
| C9 | C5 | C15 | C14 | 0.3° | 0.1° |
| C9 | C5 | C1 | H1 | 90.0° | 90.0° |
| C9 | C5 | C1 | H2 | 150.0° | 149.9° |
| C9 | C5 | C1 | H3 | 30.0° | 30.0° |
| C9 | C5 | C15 | H6 | 179.7° | 179.9° |
| C5 | C9 | C12 | H11 | 179.6° | 179.9° |
| C12 | C13 | S4 | O3 | 32.9° | 23.6° |
| C12 | C13 | S4 | C14 | 179.3° | 180.0° |
| C12 | C13 | S4 | O7 | 151.5° | 156.4° |
| C12 | C13 | S4 | N2 | 86.0° | 90.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C9 | H4 | 179.6° | 179.7° |
| C12 | C13 | C14 | H5 | 179.8° | 179.9° |
| O3 | S4 | C13 | O7 | 118.6° | 132.9° |
| O3 | S4 | C13 | N2 | 118.8° | 113.5° |
| O3 | S4 | C13 | C14 | 147.8° | 156.5° |
| O3 | S4 | O7 | N2 | 119.6° | 122.9° |
| O3 | S4 | N2 | C16 | 164.5° | 178.5° |
| O3 | S4 | N2 | H9 | 15.5° | 1.5° |
| C1 | C5 | C15 | C14 | 179.8° | 180.0° |
| C5 | C1 | H1 | H2 | 120.0° | 120.0° |
| C5 | C1 | H1 | H3 | 120.0° | 120.0° |
| C5 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C5 | C9 | H4 | 0.3° | 0.3° |
| C1 | C5 | C15 | H6 | 0.2° | 0.0° |
| C5 | C15 | C14 | C13 | 0.2° | 0.0° |
| C5 | C15 | C14 | H6 | 180.0° | 180.0° |
| C15 | C5 | C1 | H1 | 90.1° | 90.0° |
| C15 | C5 | C1 | H2 | 29.9° | 30.0° |
| C15 | C5 | C1 | H3 | 149.9° | 150.0° |
| C15 | C5 | C9 | H4 | 179.6° | 179.8° |
| C5 | C15 | C14 | H5 | 179.8° | 180.0° |
| C13 | S4 | O7 | N2 | 120.8° | 114.1° |
| S4 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | S4 | N2 | C16 | 76.4° | 65.0° |
| S4 | C13 | C14 | H5 | 0.4° | 0.0° |
| C13 | S4 | N2 | H9 | 103.6° | 115.0° |
| S4 | C13 | C12 | H11 | 0.3° | 0.0° |
| C14 | C13 | S4 | O7 | 29.2° | 23.6° |
| C14 | C13 | S4 | N2 | 93.4° | 90.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | H6 | 179.7° | 180.0° |
| C14 | C13 | C12 | H11 | 179.7° | 180.0° |
| O7 | S4 | N2 | C16 | 45.6° | 48.6° |
| O7 | S4 | N2 | H9 | 134.4° | 131.4° |
| S4 | N2 | C16 | H9 | 180.0° | 180.0° |
| S4 | N2 | C16 | O11 | 3.1° | 0.1° |
| S4 | N2 | C16 | N6 | 176.4° | 180.0° |
| N2 | C16 | O11 | N6 | 179.5° | 180.0° |
| N2 | C16 | N6 | C17 | 0.3° | 180.0° |
| N2 | C16 | N6 | H10 | 179.7° | 0.0° |
| N10 | C18 | C19 | H7 | 180.0° | 179.7° |
| C18 | N10 | C17 | N6 | 179.5° | 180.0° |
| C18 | N10 | C17 | S8 | 0.2° | 0.5° |
| N10 | C18 | C19 | S8 | 0.1° | 0.3° |
| N10 | C18 | C19 | H8 | 179.9° | 179.7° |
| C17 | N10 | C18 | C19 | 0.2° | 0.5° |
| N10 | C17 | N6 | C16 | 16.2° | 180.0° |
| N10 | C17 | N6 | S8 | 179.8° | 179.5° |
| N10 | C17 | S8 | C19 | 0.2° | 0.2° |
| C17 | N10 | C18 | H7 | 179.7° | 179.8° |
| N10 | C17 | N6 | H10 | 163.8° | 0.0° |
| C18 | C19 | S8 | C17 | 0.0° | 0.0° |
| C18 | C19 | S8 | H8 | 180.0° | 179.9° |
| O11 | C16 | N6 | C17 | 179.2° | 0.0° |
| O11 | C16 | N2 | H9 | 177.0° | 179.9° |
| O11 | C16 | N6 | H10 | 0.9° | 179.9° |
| C16 | N6 | C17 | H10 | 180.0° | 179.9° |
| C16 | N6 | C17 | S8 | 163.6° | 0.5° |
| N6 | C16 | N2 | H9 | 3.6° | 0.0° |
| N6 | C17 | S8 | C19 | 179.6° | 179.8° |
| C17 | S8 | C19 | H8 | 180.0° | 180.0° |
| S8 | C17 | N6 | H10 | 16.5° | 179.5° |
| S8 | C19 | C18 | H7 | 179.9° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C9 | C12 | H11 | 0.4° | 0.2° |
| H5 | C14 | C15 | H6 | 0.2° | 0.0° |
| H7 | C18 | C19 | H8 | 0.1° | 0.1° |
