GS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | N3 | sing | 1.39Å | 1.40Å | |
| N2 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | C22 | doub | 1.41Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.46Å | 1.42Å | Aromatic |
| C22 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C22 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| N5 | C21 | sing | 1.37Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.34Å | 1.38Å | Aromatic |
| N6 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N1 | sing | 1.39Å | 1.41Å | |
| N1 | C9 | sing | 1.40Å | 1.41Å | |
| C9 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | S | sing | 1.81Å | 1.78Å | |
| S | O2 | doub | 1.42Å | 1.45Å | |
| S | O3 | doub | 1.42Å | 1.45Å | |
| S | C6 | sing | 1.81Å | 1.77Å | |
| O4 | C18 | doub | 1.22Å | 1.23Å | |
| C18 | N4 | sing | 1.35Å | 1.37Å | |
| C18 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | F | sing | 1.35Å | 1.34Å | |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.39Å | 1.40Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C11 | C19 | 116.6° | 118.5° |
| N2 | C11 | N3 | 126.8° | 120.8° |
| C11 | N2 | C10 | 121.3° | 121.0° |
| C19 | C11 | N3 | 116.6° | 120.8° |
| C11 | C19 | C22 | 117.9° | 118.8° |
| C11 | C19 | C20 | 134.9° | 135.0° |
| C11 | N3 | C12 | 128.1° | 120.0° |
| C11 | N3 | HN3 | 116.0° | 120.0° |
| N2 | C10 | N6 | 125.3° | 122.5° |
| N2 | C10 | N1 | 119.8° | 118.8° |
| C22 | C19 | C20 | 107.3° | 106.2° |
| C19 | C22 | N5 | 107.9° | 107.2° |
| C19 | C22 | N6 | 126.4° | 118.6° |
| C19 | C20 | C21 | 107.3° | 106.8° |
| C19 | C20 | H20 | 126.4° | 126.6° |
| N5 | C22 | N6 | 125.7° | 134.2° |
| C22 | N5 | C21 | 109.9° | 110.0° |
| C22 | N5 | HN5 | 125.1° | 125.0° |
| C22 | N6 | C10 | 112.6° | 120.6° |
| N5 | C21 | C20 | 107.6° | 109.8° |
| C21 | N5 | HN5 | 125.0° | 125.0° |
| N5 | C21 | H21 | 126.2° | 125.1° |
| C20 | C21 | H21 | 126.2° | 125.1° |
| C21 | C20 | H20 | 126.4° | 126.5° |
| N6 | C10 | N1 | 115.0° | 118.7° |
| C10 | N1 | C9 | 124.6° | 120.0° |
| C10 | N1 | HN1 | 117.7° | 119.9° |
| N1 | C9 | C2 | 119.3° | 120.1° |
| N1 | C9 | C8 | 121.9° | 120.1° |
| C9 | N1 | HN1 | 117.7° | 120.0° |
| C2 | C9 | C8 | 118.9° | 119.9° |
| C9 | C2 | O1 | 115.7° | 120.1° |
| C9 | C2 | C3 | 121.1° | 119.8° |
| C9 | C8 | C7 | 120.3° | 119.9° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| O1 | C2 | C3 | 123.3° | 120.1° |
| C2 | O1 | C1 | 109.9° | 117.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H1A | 109.4° | 109.5° |
| O1 | C1 | H1B | 109.5° | 109.5° |
| C8 | C7 | C4 | 120.8° | 120.2° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.6° | 119.9° |
| C7 | C4 | C3 | 119.3° | 120.2° |
| C7 | C4 | C5 | 119.5° | 120.0° |
| C4 | C7 | H7 | 119.6° | 119.9° |
| C3 | C4 | C5 | 121.2° | 119.9° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C4 | C5 | S | 108.6° | 109.5° |
| C4 | C5 | H5 | 109.8° | 109.5° |
| C4 | C5 | H5A | 109.9° | 109.4° |
| C5 | S | O2 | 109.0° | 108.6° |
| C5 | S | O3 | 107.3° | 108.6° |
| C5 | S | C6 | 102.2° | 101.9° |
| S | C5 | H5 | 109.8° | 109.5° |
| S | C5 | H5A | 109.9° | 109.5° |
| O2 | S | O3 | 120.6° | 119.2° |
| O2 | S | C6 | 108.1° | 108.5° |
| O3 | S | C6 | 108.2° | 108.6° |
| S | C6 | H6 | 109.5° | 109.5° |
| S | C6 | H6A | 109.5° | 109.5° |
| S | C6 | H6B | 109.5° | 109.4° |
| O4 | C18 | N4 | 125.0° | 120.0° |
| O4 | C18 | C17 | 120.6° | 120.0° |
| N4 | C18 | C17 | 114.4° | 120.0° |
| C18 | N4 | HN4 | 112.8° | 120.0° |
| C18 | N4 | HN4A | 123.6° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.2° |
| C18 | C17 | C12 | 119.2° | 120.3° |
| C16 | C17 | C12 | 120.8° | 119.5° |
| C17 | C16 | F | 120.9° | 120.1° |
| C17 | C16 | C15 | 120.0° | 119.9° |
| C17 | C12 | C13 | 118.7° | 119.7° |
| C17 | C12 | N3 | 118.4° | 120.1° |
| F | C16 | C15 | 119.1° | 120.1° |
| C16 | C15 | C14 | 119.6° | 120.3° |
| C16 | C15 | H15 | 120.2° | 119.9° |
| C15 | C14 | C13 | 120.2° | 120.5° |
| C14 | C15 | H15 | 120.2° | 119.8° |
| C15 | C14 | H14 | 119.9° | 119.8° |
| C14 | C13 | C12 | 120.7° | 120.1° |
| C13 | C14 | H14 | 119.9° | 119.8° |
| C14 | C13 | H13 | 119.6° | 120.0° |
| C13 | C12 | N3 | 122.9° | 120.2° |
| C12 | C13 | H13 | 119.7° | 119.9° |
| C12 | N3 | HN3 | 116.0° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H5 | C5 | H5A | 108.8° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.6° |
| H6A | C6 | H6B | 109.5° | 109.4° |
| HN4 | N4 | HN4A | 123.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C11 | C19 | N3 | 179.8° | 179.8° |
| N2 | C11 | C19 | C22 | 0.0° | 0.0° |
| N2 | C11 | C19 | C20 | 180.0° | 180.0° |
| C11 | N2 | C10 | N6 | 0.3° | 0.0° |
| C11 | N2 | C10 | N1 | 179.9° | 180.0° |
| N2 | C11 | N3 | C12 | 12.6° | 6.4° |
| N2 | C11 | N3 | HN3 | 167.4° | 173.7° |
| C19 | C11 | N2 | C10 | 0.2° | 0.0° |
| C11 | C19 | C22 | C20 | 180.0° | 180.0° |
| C11 | C19 | C22 | N5 | 179.9° | 180.0° |
| C11 | C19 | C22 | N6 | 0.1° | 0.0° |
| C11 | C19 | C20 | C21 | 180.0° | 180.0° |
| C19 | C11 | N3 | C12 | 167.7° | 173.4° |
| C11 | C19 | C20 | H20 | 0.0° | 0.0° |
| C19 | C11 | N3 | HN3 | 12.3° | 6.6° |
| N3 | C11 | N2 | C10 | 180.0° | 179.7° |
| N3 | C11 | C19 | C22 | 179.8° | 179.8° |
| N3 | C11 | C19 | C20 | 0.2° | 0.2° |
| C11 | N3 | C12 | C17 | 177.9° | 158.8° |
| C11 | N3 | C12 | C13 | 2.2° | 20.9° |
| C11 | N3 | C12 | HN3 | 180.0° | 179.9° |
| N2 | C10 | N6 | C22 | 0.2° | 0.0° |
| N2 | C10 | N6 | N1 | 179.6° | 180.0° |
| N2 | C10 | N1 | C9 | 0.9° | 173.1° |
| N2 | C10 | N1 | HN1 | 179.1° | 6.9° |
| C19 | C22 | N5 | N6 | 180.0° | 180.0° |
| C19 | C22 | N5 | C21 | 0.2° | 0.0° |
| C22 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C22 | N6 | C10 | 0.0° | 0.0° |
| C19 | C22 | N5 | HN5 | 179.8° | 180.0° |
| C22 | C19 | C20 | H20 | 179.9° | 180.0° |
| C20 | C19 | C22 | N5 | 0.2° | 0.0° |
| C20 | C19 | C22 | N6 | 179.9° | 180.0° |
| C19 | C20 | C21 | N5 | 0.0° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C22 | N5 | C21 | HN5 | 180.0° | 180.0° |
| C22 | N5 | C21 | C20 | 0.1° | 0.0° |
| N5 | C22 | N6 | C10 | 179.9° | 180.0° |
| C22 | N5 | C21 | H21 | 179.8° | 180.0° |
| N6 | C22 | N5 | C21 | 179.9° | 180.0° |
| C22 | N6 | C10 | N1 | 179.8° | 180.0° |
| N6 | C22 | N5 | HN5 | 0.2° | 0.0° |
| N5 | C21 | C20 | H21 | 180.0° | 180.0° |
| N5 | C21 | C20 | H20 | 180.0° | 180.0° |
| C20 | C21 | N5 | HN5 | 179.8° | 180.0° |
| N6 | C10 | N1 | C9 | 178.7° | 6.9° |
| N6 | C10 | N1 | HN1 | 1.3° | 173.2° |
| C10 | N1 | C9 | HN1 | 180.0° | 180.0° |
| C10 | N1 | C9 | C2 | 136.0° | 156.5° |
| C10 | N1 | C9 | C8 | 44.8° | 23.1° |
| N1 | C9 | C2 | C8 | 179.3° | 179.6° |
| N1 | C9 | C2 | O1 | 0.5° | 0.1° |
| N1 | C9 | C2 | C3 | 179.6° | 179.9° |
| N1 | C9 | C8 | C7 | 179.9° | 179.9° |
| N1 | C9 | C8 | H8 | 0.1° | 0.0° |
| C9 | C2 | O1 | C3 | 179.9° | 180.0° |
| C9 | C2 | O1 | C1 | 164.5° | 180.0° |
| C2 | C9 | C8 | C7 | 0.6° | 0.3° |
| C9 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C9 | N1 | HN1 | 44.0° | 23.5° |
| C2 | C9 | C8 | H8 | 179.4° | 179.7° |
| C9 | C2 | C3 | H3 | 179.9° | 180.0° |
| C8 | C9 | C2 | O1 | 179.8° | 179.7° |
| C8 | C9 | C2 | C3 | 0.3° | 0.3° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C4 | 0.8° | 0.0° |
| C8 | C9 | N1 | HN1 | 135.3° | 156.8° |
| C9 | C8 | C7 | H7 | 179.1° | 180.0° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | O1 | C1 | H1 | 43.3° | 60.0° |
| C2 | O1 | C1 | H1A | 76.7° | 60.0° |
| C2 | O1 | C1 | H1B | 163.3° | 180.0° |
| O1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C2 | O1 | C1 | 15.6° | 0.0° |
| C2 | C3 | C4 | C7 | 0.3° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| O1 | C1 | H1 | H1A | 120.0° | 120.0° |
| O1 | C1 | H1 | H1B | 120.0° | 120.0° |
| O1 | C1 | H1A | H1B | 120.0° | 120.0° |
| C8 | C7 | C4 | H7 | 180.0° | 180.0° |
| C8 | C7 | C4 | C3 | 0.6° | 0.3° |
| C8 | C7 | C4 | C5 | 179.8° | 180.0° |
| C7 | C4 | C3 | C5 | 179.1° | 179.7° |
| C7 | C4 | C5 | S | 84.9° | 90.0° |
| C4 | C7 | C8 | H8 | 179.2° | 180.0° |
| C7 | C4 | C3 | H3 | 179.7° | 179.8° |
| C7 | C4 | C5 | H5 | 35.1° | 149.9° |
| C7 | C4 | C5 | H5A | 154.8° | 30.0° |
| C3 | C4 | C5 | S | 96.0° | 90.3° |
| C3 | C4 | C7 | H7 | 179.3° | 179.7° |
| C3 | C4 | C5 | H5 | 144.0° | 29.8° |
| C3 | C4 | C5 | H5A | 24.3° | 149.7° |
| C4 | C5 | S | H5 | 120.0° | 120.0° |
| C4 | C5 | S | H5A | 120.3° | 120.0° |
| C4 | C5 | S | O2 | 63.4° | 65.5° |
| C4 | C5 | S | O3 | 68.6° | 65.5° |
| C4 | C5 | S | C6 | 177.7° | 180.0° |
| C5 | C4 | C7 | H7 | 0.2° | 0.0° |
| C5 | C4 | C3 | H3 | 0.6° | 0.1° |
| C4 | C5 | H5 | H5A | 120.3° | 119.9° |
| C5 | S | O2 | O3 | 124.6° | 125.0° |
| C5 | S | O2 | C6 | 110.4° | 110.0° |
| C5 | S | O3 | C6 | 109.6° | 110.1° |
| S | C5 | H5 | H5A | 120.3° | 120.1° |
| C5 | S | C6 | H6 | 142.9° | 60.0° |
| C5 | S | C6 | H6A | 23.0° | 180.0° |
| C5 | S | C6 | H6B | 97.1° | 60.1° |
| O2 | S | O3 | C6 | 125.0° | 124.9° |
| O2 | S | C5 | H5 | 56.6° | 174.4° |
| O2 | S | C5 | H5A | 176.2° | 54.4° |
| O2 | S | C6 | H6 | 28.0° | 54.5° |
| O2 | S | C6 | H6A | 92.0° | 65.6° |
| O2 | S | C6 | H6B | 148.0° | 174.5° |
| O3 | S | C5 | H5 | 171.3° | 54.5° |
| O3 | S | C5 | H5A | 51.7° | 174.5° |
| O3 | S | C6 | H6 | 104.0° | 174.5° |
| O3 | S | C6 | H6A | 136.0° | 65.4° |
| O3 | S | C6 | H6B | 16.0° | 54.5° |
| C6 | S | C5 | H5 | 57.7° | 60.0° |
| C6 | S | C5 | H5A | 62.0° | 60.0° |
| S | C6 | H6 | H6A | 120.0° | 120.0° |
| S | C6 | H6 | H6B | 120.0° | 120.0° |
| S | C6 | H6A | H6B | 120.0° | 119.9° |
| O4 | C18 | N4 | C17 | 180.0° | 179.9° |
| O4 | C18 | C17 | C16 | 147.2° | 90.1° |
| O4 | C18 | C17 | C12 | 32.7° | 90.2° |
| O4 | C18 | N4 | HN4 | 180.0° | 0.1° |
| O4 | C18 | N4 | HN4A | 0.0° | 179.9° |
| N4 | C18 | C17 | C16 | 32.8° | 90.0° |
| N4 | C18 | C17 | C12 | 147.3° | 89.7° |
| C18 | N4 | HN4 | HN4A | 180.0° | 180.0° |
| C18 | C17 | C16 | C12 | 179.9° | 179.7° |
| C18 | C17 | C16 | F | 0.0° | 0.0° |
| C18 | C17 | C16 | C15 | 180.0° | 180.0° |
| C18 | C17 | C12 | C13 | 180.0° | 179.8° |
| C18 | C17 | C12 | N3 | 0.0° | 0.0° |
| C17 | C18 | N4 | HN4 | 0.0° | 179.9° |
| C17 | C18 | N4 | HN4A | 180.0° | 0.0° |
| C17 | C16 | F | C15 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C12 | C13 | 0.0° | 0.5° |
| C16 | C17 | C12 | N3 | 179.9° | 179.7° |
| C17 | C16 | C15 | H15 | 179.9° | 179.9° |
| C12 | C17 | C16 | F | 180.0° | 179.8° |
| C12 | C17 | C16 | C15 | 0.1° | 0.3° |
| C17 | C12 | C13 | C14 | 0.1° | 0.5° |
| C17 | C12 | C13 | N3 | 180.0° | 179.8° |
| C17 | C12 | C13 | H13 | 179.9° | 179.7° |
| C17 | C12 | N3 | HN3 | 2.1° | 21.2° |
| F | C16 | C15 | C14 | 180.0° | 180.0° |
| F | C16 | C15 | H15 | 0.0° | 0.1° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C14 | C13 | C12 | N3 | 180.0° | 179.7° |
| C13 | C14 | C15 | H15 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.9° | 179.8° |
| C13 | C12 | N3 | HN3 | 177.8° | 159.0° |
| N3 | C12 | C13 | H13 | 0.1° | 0.1° |
| HN5 | N5 | C21 | H21 | 0.2° | 0.0° |
| H21 | C21 | C20 | H20 | 0.1° | 0.1° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H8 | C8 | C7 | H7 | 0.9° | 0.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.1° |
| H15 | C15 | C14 | H14 | 0.0° | 0.0° |
| H14 | C14 | C13 | H13 | 0.1° | 0.0° |
