G4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C3 | sing | 1.39Å | 1.33Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N20 | sing | 1.47Å | 1.48Å | |
| C3 | N20 | sing | 1.39Å | 1.33Å | |
| C3 | C2 | doub | 1.39Å | 1.34Å | Aromatic |
| N20 | C4 | sing | 1.37Å | 1.33Å | |
| C9 | C2 | sing | 1.39Å | 1.33Å | Aromatic |
| C2 | O22 | sing | 1.36Å | 1.34Å | |
| C4 | O22 | sing | 1.35Å | 1.32Å | |
| C4 | C5 | doub | 1.36Å | 1.54Å | |
| C5 | C13 | sing | 1.41Å | 1.54Å | |
| C13 | S26 | sing | 1.76Å | 1.64Å | Aromatic |
| C13 | N21 | doub | 1.30Å | 1.33Å | Aromatic |
| C17 | N21 | sing | 1.47Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| S26 | C11 | sing | 1.76Å | 1.64Å | Aromatic |
| N21 | C12 | sing | 1.34Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.35Å | Aromatic |
| C12 | C10 | sing | 1.41Å | 1.34Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.33Å | Aromatic |
| C10 | C14 | doub | 1.37Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | S27 | sing | 1.81Å | 1.83Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| S27 | O25 | doub | 1.42Å | 1.53Å | |
| S27 | O24 | doub | 1.42Å | 1.53Å | |
| S27 | O23 | sing | 1.52Å | 1.53Å | |
| C | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| O23 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C7 | C8 | 118.7° | 120.2° |
| C7 | C | C3 | 120.5° | 119.8° |
| C7 | C | H1 | 119.7° | 120.1° |
| C | C7 | H17 | 120.7° | 119.9° |
| C7 | C8 | C9 | 118.3° | 120.3° |
| C8 | C7 | H17 | 120.6° | 119.9° |
| C7 | C8 | H18 | 120.9° | 119.9° |
| C | C3 | N20 | 131.0° | 133.0° |
| C | C3 | C2 | 120.8° | 120.1° |
| C3 | C | H1 | 119.7° | 120.1° |
| C8 | C9 | C2 | 120.3° | 120.0° |
| C9 | C8 | H18 | 120.8° | 119.8° |
| C8 | C9 | H19 | 119.8° | 120.0° |
| C6 | N20 | C3 | 127.0° | 126.4° |
| C6 | N20 | C4 | 125.8° | 126.4° |
| N20 | C6 | H14 | 109.5° | 109.4° |
| N20 | C6 | H15 | 109.5° | 109.5° |
| N20 | C6 | H16 | 109.4° | 109.5° |
| N20 | C3 | C2 | 108.2° | 106.9° |
| C3 | N20 | C4 | 107.3° | 107.2° |
| C3 | C2 | C9 | 121.3° | 119.6° |
| C3 | C2 | O22 | 107.8° | 107.8° |
| N20 | C4 | O22 | 109.7° | 108.8° |
| N20 | C4 | C5 | 124.2° | 125.6° |
| C9 | C2 | O22 | 130.8° | 132.6° |
| C2 | C9 | H19 | 119.9° | 120.0° |
| C2 | O22 | C4 | 107.0° | 109.3° |
| O22 | C4 | C5 | 126.1° | 125.6° |
| C4 | C5 | C13 | 115.5° | 120.0° |
| C4 | C5 | H12 | 122.3° | 120.0° |
| C5 | C13 | S26 | 128.2° | 124.9° |
| C5 | C13 | N21 | 122.6° | 124.9° |
| C13 | C5 | H12 | 122.2° | 120.0° |
| S26 | C13 | N21 | 109.3° | 110.3° |
| C13 | S26 | C11 | 95.6° | 90.5° |
| C13 | N21 | C17 | 116.0° | 121.1° |
| C13 | N21 | C12 | 113.4° | 117.7° |
| N21 | C17 | C18 | 115.1° | 109.4° |
| C17 | N21 | C12 | 130.5° | 121.2° |
| N21 | C17 | H6 | 108.0° | 109.5° |
| N21 | C17 | H7 | 108.0° | 109.4° |
| C17 | C18 | C19 | 110.4° | 109.4° |
| C18 | C17 | H6 | 108.1° | 109.5° |
| C18 | C17 | H7 | 108.1° | 109.5° |
| C17 | C18 | H8 | 109.2° | 109.5° |
| C17 | C18 | H9 | 109.2° | 109.5° |
| S26 | C11 | C12 | 108.5° | 108.5° |
| S26 | C11 | C16 | 129.5° | 131.1° |
| N21 | C12 | C11 | 113.2° | 113.0° |
| N21 | C12 | C10 | 128.8° | 128.6° |
| C11 | C12 | C10 | 117.9° | 118.4° |
| C12 | C11 | C16 | 122.0° | 120.3° |
| C12 | C10 | C14 | 122.8° | 120.4° |
| C12 | C10 | H2 | 118.6° | 119.8° |
| C11 | C16 | C15 | 121.3° | 120.3° |
| C11 | C16 | H5 | 119.3° | 119.8° |
| C10 | C14 | C15 | 118.4° | 120.6° |
| C14 | C10 | H2 | 118.6° | 119.8° |
| C10 | C14 | H3 | 120.8° | 119.7° |
| C18 | C19 | S27 | 109.0° | 109.4° |
| C19 | C18 | H8 | 109.2° | 109.5° |
| C19 | C18 | H9 | 109.2° | 109.5° |
| C18 | C19 | H10 | 109.6° | 109.5° |
| C18 | C19 | H11 | 109.6° | 109.5° |
| C19 | S27 | O25 | 109.3° | 110.5° |
| C19 | S27 | O24 | 109.2° | 110.5° |
| C19 | S27 | O23 | 109.3° | 104.4° |
| S27 | C19 | H10 | 109.6° | 109.5° |
| S27 | C19 | H11 | 109.6° | 109.5° |
| C16 | C15 | C14 | 117.6° | 119.9° |
| C16 | C15 | H4 | 121.2° | 120.1° |
| C15 | C16 | H5 | 119.3° | 119.9° |
| C15 | C14 | H3 | 120.8° | 119.7° |
| C14 | C15 | H4 | 121.2° | 120.0° |
| O25 | S27 | O24 | 109.3° | 121.0° |
| O25 | S27 | O23 | 109.6° | 104.3° |
| O24 | S27 | O23 | 110.1° | 104.3° |
| S27 | O23 | H13 | 109.5° | 114.0° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H14 | C6 | H15 | 109.5° | 109.4° |
| H14 | C6 | H16 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C7 | C8 | H17 | 180.0° | 179.9° |
| C7 | C | C3 | H1 | 180.0° | 179.7° |
| C | C7 | C8 | C9 | 0.7° | 0.0° |
| C7 | C | C3 | N20 | 179.9° | 179.7° |
| C7 | C | C3 | C2 | 0.0° | 0.3° |
| C | C7 | C8 | H18 | 179.4° | 180.0° |
| C8 | C7 | C | C3 | 0.3° | 0.0° |
| C7 | C8 | C9 | H18 | 180.0° | 180.0° |
| C7 | C8 | C9 | C2 | 0.8° | 0.3° |
| C8 | C7 | C | H1 | 179.7° | 179.7° |
| C7 | C8 | C9 | H19 | 179.2° | 180.0° |
| C | C3 | N20 | C6 | 0.1° | 0.0° |
| C | C3 | N20 | C2 | 179.9° | 179.9° |
| C | C3 | N20 | C4 | 179.3° | 179.9° |
| C | C3 | C2 | C9 | 0.1° | 0.7° |
| C | C3 | C2 | O22 | 179.9° | 180.0° |
| C3 | C | C7 | H17 | 179.7° | 179.9° |
| C8 | C9 | C2 | C3 | 0.5° | 0.6° |
| C8 | C9 | C2 | H19 | 180.0° | 179.7° |
| C8 | C9 | C2 | O22 | 179.5° | 179.8° |
| C9 | C8 | C7 | H17 | 179.3° | 180.0° |
| C6 | N20 | C3 | C4 | 179.2° | 180.0° |
| C6 | N20 | C3 | C2 | 179.9° | 180.0° |
| C6 | N20 | C4 | O22 | 179.5° | 180.0° |
| C6 | N20 | C4 | C5 | 2.4° | 0.0° |
| N20 | C6 | H14 | H15 | 120.0° | 119.9° |
| N20 | C6 | H14 | H16 | 120.0° | 120.0° |
| N20 | C6 | H15 | H16 | 120.0° | 120.0° |
| N20 | C3 | C2 | C9 | 179.8° | 179.4° |
| N20 | C3 | C2 | O22 | 0.2° | 0.0° |
| C3 | N20 | C4 | O22 | 1.2° | 0.0° |
| C3 | N20 | C4 | C5 | 178.4° | 180.0° |
| N20 | C3 | C | H1 | 0.1° | 0.1° |
| C3 | N20 | C6 | H14 | 180.0° | 90.0° |
| C3 | N20 | C6 | H15 | 60.0° | 150.0° |
| C3 | N20 | C6 | H16 | 60.0° | 30.0° |
| C2 | C3 | N20 | C4 | 0.6° | 0.0° |
| C3 | C2 | C9 | O22 | 180.0° | 179.2° |
| C3 | C2 | O22 | C4 | 0.9° | 0.0° |
| C2 | C3 | C | H1 | 180.0° | 180.0° |
| C3 | C2 | C9 | H19 | 179.5° | 179.6° |
| N20 | C4 | O22 | C2 | 1.3° | 0.0° |
| N20 | C4 | O22 | C5 | 177.1° | 180.0° |
| N20 | C4 | C5 | C13 | 168.1° | 180.0° |
| N20 | C4 | C5 | H12 | 11.9° | 0.1° |
| C4 | N20 | C6 | H14 | 0.9° | 90.0° |
| C4 | N20 | C6 | H15 | 120.9° | 29.9° |
| C4 | N20 | C6 | H16 | 119.1° | 150.0° |
| C9 | C2 | O22 | C4 | 179.1° | 179.3° |
| C2 | C9 | C8 | H18 | 179.2° | 179.7° |
| C2 | O22 | C4 | C5 | 178.4° | 180.0° |
| O22 | C2 | C9 | H19 | 0.5° | 0.5° |
| O22 | C4 | C5 | C13 | 15.2° | 0.0° |
| O22 | C4 | C5 | H12 | 164.8° | 180.0° |
| C4 | C5 | C13 | H12 | 180.0° | 179.9° |
| C4 | C5 | C13 | S26 | 7.2° | 0.1° |
| C4 | C5 | C13 | N21 | 172.0° | 179.8° |
| C5 | C13 | S26 | N21 | 179.3° | 179.8° |
| C5 | C13 | N21 | C17 | 1.6° | 0.1° |
| C5 | C13 | S26 | C11 | 180.0° | 180.0° |
| C5 | C13 | N21 | C12 | 179.5° | 180.0° |
| S26 | C13 | N21 | C17 | 179.0° | 179.9° |
| S26 | C13 | N21 | C12 | 1.2° | 0.2° |
| C13 | S26 | C11 | C12 | 0.0° | 0.2° |
| C13 | S26 | C11 | C16 | 180.0° | 179.4° |
| S26 | C13 | C5 | H12 | 172.8° | 180.0° |
| C13 | N21 | C17 | C12 | 177.4° | 180.0° |
| C13 | N21 | C17 | C18 | 138.5° | 90.0° |
| N21 | C13 | S26 | C11 | 0.7° | 0.2° |
| C13 | N21 | C12 | C11 | 1.2° | 0.0° |
| C13 | N21 | C12 | C10 | 179.1° | 179.9° |
| C13 | N21 | C17 | H6 | 100.6° | 30.0° |
| C13 | N21 | C17 | H7 | 17.7° | 150.0° |
| N21 | C13 | C5 | H12 | 8.0° | 0.3° |
| N21 | C17 | C18 | H6 | 120.8° | 120.0° |
| N21 | C17 | C18 | H7 | 120.8° | 119.9° |
| C17 | N21 | C12 | C11 | 178.7° | 180.0° |
| C17 | N21 | C12 | C10 | 1.7° | 0.0° |
| N21 | C17 | C18 | C19 | 158.7° | 180.0° |
| N21 | C17 | H6 | H7 | 117.4° | 120.0° |
| N21 | C17 | C18 | H8 | 38.6° | 60.1° |
| N21 | C17 | C18 | H9 | 81.2° | 60.0° |
| C18 | C17 | N21 | C12 | 44.0° | 90.0° |
| C17 | C18 | C19 | H8 | 120.1° | 120.0° |
| C17 | C18 | C19 | H9 | 120.2° | 120.0° |
| C17 | C18 | C19 | S27 | 123.6° | 180.0° |
| C18 | C17 | H6 | H7 | 117.5° | 120.0° |
| C17 | C18 | H8 | H9 | 119.6° | 120.1° |
| C17 | C18 | C19 | H10 | 116.5° | 60.0° |
| C17 | C18 | C19 | H11 | 3.6° | 60.0° |
| S26 | C11 | C12 | N21 | 0.7° | 0.1° |
| S26 | C11 | C12 | C16 | 180.0° | 179.3° |
| S26 | C11 | C12 | C10 | 179.6° | 179.9° |
| S26 | C11 | C16 | C15 | 179.8° | 180.0° |
| S26 | C11 | C16 | H5 | 0.2° | 0.8° |
| N21 | C12 | C11 | C10 | 179.7° | 180.0° |
| N21 | C12 | C11 | C16 | 179.3° | 179.5° |
| N21 | C12 | C10 | C14 | 179.1° | 180.0° |
| N21 | C12 | C10 | H2 | 0.9° | 0.2° |
| C12 | N21 | C17 | H6 | 76.8° | 150.0° |
| C12 | N21 | C17 | H7 | 164.8° | 30.0° |
| C11 | C12 | C10 | C14 | 0.5° | 0.1° |
| C12 | C11 | C16 | C15 | 0.2° | 0.8° |
| C11 | C12 | C10 | H2 | 179.5° | 179.7° |
| C12 | C11 | C16 | H5 | 179.7° | 179.9° |
| C10 | C12 | C11 | C16 | 0.4° | 0.6° |
| C12 | C10 | C14 | H2 | 180.0° | 179.8° |
| C12 | C10 | C14 | C15 | 0.4° | 0.2° |
| C12 | C10 | C14 | H3 | 179.6° | 179.7° |
| C11 | C16 | C15 | H5 | 180.0° | 179.2° |
| C11 | C16 | C15 | C14 | 0.2° | 0.6° |
| C11 | C16 | C15 | H4 | 179.8° | 179.4° |
| C10 | C14 | C15 | C16 | 0.3° | 0.1° |
| C10 | C14 | C15 | H3 | 180.0° | 179.9° |
| C10 | C14 | C15 | H4 | 179.7° | 180.0° |
| C18 | C19 | S27 | H10 | 119.9° | 120.0° |
| C18 | C19 | S27 | H11 | 119.9° | 120.0° |
| C18 | C19 | S27 | O25 | 167.6° | 68.4° |
| C18 | C19 | S27 | O24 | 72.9° | 68.4° |
| C18 | C19 | S27 | O23 | 47.6° | 180.0° |
| C19 | C18 | C17 | H6 | 80.5° | 60.0° |
| C19 | C18 | C17 | H7 | 37.9° | 60.0° |
| C19 | C18 | H8 | H9 | 119.6° | 120.0° |
| C18 | C19 | H10 | H11 | 120.2° | 120.0° |
| C19 | S27 | O25 | O24 | 119.5° | 131.5° |
| C19 | S27 | O25 | O23 | 119.8° | 111.7° |
| C19 | S27 | O24 | O23 | 120.0° | 111.7° |
| S27 | C19 | C18 | H8 | 3.4° | 60.0° |
| S27 | C19 | C18 | H9 | 116.3° | 60.0° |
| S27 | C19 | H10 | H11 | 120.3° | 120.0° |
| C19 | S27 | O23 | H13 | 119.8° | 180.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | H3 | 179.7° | 179.9° |
| C15 | C14 | C10 | H2 | 179.6° | 180.0° |
| C14 | C15 | C16 | H5 | 179.8° | 179.8° |
| O25 | S27 | O24 | O23 | 120.5° | 116.8° |
| O25 | S27 | C19 | H10 | 47.7° | 51.6° |
| O25 | S27 | C19 | H11 | 72.5° | 171.6° |
| O25 | S27 | O23 | H13 | 0.0° | 63.9° |
| O24 | S27 | C19 | H10 | 167.2° | 171.6° |
| O24 | S27 | C19 | H11 | 47.1° | 51.6° |
| O24 | S27 | O23 | H13 | 120.2° | 64.0° |
| O23 | S27 | C19 | H10 | 72.3° | 60.0° |
| O23 | S27 | C19 | H11 | 167.5° | 60.0° |
| H1 | C | C7 | H17 | 0.3° | 0.3° |
| H2 | C10 | C14 | H3 | 0.5° | 0.1° |
| H3 | C14 | C15 | H4 | 0.3° | 0.1° |
| H4 | C15 | C16 | H5 | 0.2° | 0.2° |
| H6 | C17 | C18 | H8 | 159.4° | 60.0° |
| H6 | C17 | C18 | H9 | 39.7° | 180.0° |
| H7 | C17 | C18 | H8 | 82.2° | 180.0° |
| H7 | C17 | C18 | H9 | 158.0° | 60.0° |
| H8 | C18 | C19 | H10 | 123.3° | 180.0° |
| H8 | C18 | C19 | H11 | 116.5° | 60.0° |
| H9 | C18 | C19 | H10 | 3.6° | 60.0° |
| H9 | C18 | C19 | H11 | 123.8° | 180.0° |
| H14 | C6 | H15 | H16 | 120.0° | 120.1° |
| H17 | C7 | C8 | H18 | 0.7° | 0.1° |
| H18 | C8 | C9 | H19 | 0.8° | 0.0° |
