G1W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| F25 | C2 | sing | 1.35Å | 1.34Å | |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N9 | sing | 1.40Å | 1.41Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.38Å | 1.38Å | |
| N9 | C26 | sing | 1.37Å | 1.39Å | |
| C4 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.37Å | 1.37Å | Aromatic |
| O31 | C27 | doub | 1.21Å | 1.23Å | |
| C33 | O32 | sing | 1.45Å | 1.47Å | |
| C27 | C26 | sing | 1.48Å | 1.49Å | |
| C27 | O32 | sing | 1.35Å | 1.36Å | |
| C26 | C16 | doub | 1.36Å | 1.36Å | |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.47Å | 1.46Å | |
| C16 | C7 | sing | 1.42Å | 1.41Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C7 | O8 | doub | 1.22Å | 1.21Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | S24 | sing | 1.76Å | 1.79Å | |
| O34 | S24 | doub | 1.42Å | 1.43Å | |
| S24 | O35 | doub | 1.42Å | 1.44Å | |
| S24 | C28 | sing | 1.81Å | 1.83Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | O30 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| O30 | H19 | sing | 0.97Å | 0.95Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 120.8° | 120.2° |
| C13 | C12 | C11 | 118.7° | 120.1° |
| C13 | C12 | H5 | 120.7° | 120.0° |
| C12 | C13 | H6 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C14 | C13 | H6 | 119.6° | 119.9° |
| C13 | C14 | H7 | 119.8° | 120.0° |
| C12 | C11 | C10 | 120.7° | 119.9° |
| C12 | C11 | H4 | 119.7° | 120.0° |
| C11 | C12 | H5 | 120.6° | 120.0° |
| C14 | C15 | C10 | 119.0° | 119.9° |
| C15 | C14 | H7 | 119.8° | 119.9° |
| C14 | C15 | H8 | 120.5° | 120.1° |
| C11 | C10 | C15 | 120.4° | 119.9° |
| C11 | C10 | N9 | 119.6° | 120.0° |
| C10 | C11 | H4 | 119.7° | 120.1° |
| F25 | C2 | C3 | 120.1° | 119.6° |
| F25 | C2 | C1 | 118.1° | 119.7° |
| C15 | C10 | N9 | 120.0° | 120.1° |
| C10 | C15 | H8 | 120.5° | 120.0° |
| C10 | N9 | C4 | 118.5° | 119.2° |
| C10 | N9 | C26 | 120.1° | 119.2° |
| C2 | C3 | C4 | 118.4° | 119.7° |
| C3 | C2 | C1 | 121.9° | 120.7° |
| C2 | C3 | H2 | 120.8° | 120.2° |
| C3 | C4 | N9 | 122.2° | 121.0° |
| C3 | C4 | C5 | 119.0° | 119.3° |
| C4 | C3 | H2 | 120.8° | 120.1° |
| C2 | C1 | C6 | 120.9° | 120.5° |
| C2 | C1 | H1 | 119.5° | 119.7° |
| C4 | N9 | C26 | 121.4° | 121.6° |
| N9 | C4 | C5 | 118.8° | 119.7° |
| N9 | C26 | C27 | 119.8° | 118.9° |
| N9 | C26 | C16 | 122.2° | 122.2° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| C4 | C5 | C7 | 119.1° | 118.7° |
| C1 | C6 | C5 | 118.4° | 119.8° |
| C6 | C1 | H1 | 119.6° | 119.8° |
| C1 | C6 | H3 | 120.8° | 120.1° |
| O31 | C27 | C26 | 120.3° | 120.0° |
| O31 | C27 | O32 | 119.4° | 120.0° |
| C33 | O32 | C27 | 119.6° | 117.0° |
| O32 | C33 | H20 | 109.5° | 109.5° |
| O32 | C33 | H21 | 109.5° | 109.5° |
| O32 | C33 | H22 | 109.4° | 109.4° |
| C26 | C27 | O32 | 120.3° | 120.0° |
| C27 | C26 | C16 | 118.0° | 118.9° |
| C26 | C16 | C7 | 119.8° | 120.0° |
| C26 | C16 | C17 | 121.4° | 120.0° |
| C6 | C5 | C7 | 119.3° | 121.3° |
| C5 | C6 | H3 | 120.8° | 120.1° |
| C5 | C7 | C16 | 118.6° | 117.9° |
| C5 | C7 | O8 | 120.0° | 121.0° |
| C7 | C16 | C17 | 118.8° | 120.0° |
| C16 | C7 | O8 | 121.4° | 121.1° |
| C16 | C17 | C18 | 109.2° | 109.4° |
| C16 | C17 | H9 | 109.5° | 109.4° |
| C16 | C17 | H10 | 109.5° | 109.4° |
| C17 | C18 | C23 | 121.2° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H9 | 109.5° | 109.5° |
| C18 | C17 | H10 | 109.5° | 109.5° |
| C23 | C18 | C19 | 118.7° | 120.1° |
| C18 | C23 | C22 | 120.9° | 119.9° |
| C18 | C23 | H14 | 119.6° | 120.1° |
| C18 | C19 | C20 | 120.7° | 119.9° |
| C18 | C19 | H11 | 119.6° | 120.0° |
| C23 | C22 | C21 | 120.6° | 120.0° |
| C23 | C22 | H13 | 119.7° | 119.9° |
| C22 | C23 | H14 | 119.5° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C20 | C19 | H11 | 119.7° | 120.1° |
| C19 | C20 | H12 | 119.7° | 119.9° |
| C22 | C21 | C20 | 118.5° | 120.0° |
| C22 | C21 | S24 | 120.5° | 120.0° |
| C21 | C22 | H13 | 119.7° | 120.0° |
| C20 | C21 | S24 | 121.0° | 120.0° |
| C21 | C20 | H12 | 119.7° | 120.0° |
| C21 | S24 | O34 | 99.9° | 104.3° |
| C21 | S24 | O35 | 108.5° | 104.3° |
| C21 | S24 | C28 | 103.8° | 104.4° |
| O34 | S24 | O35 | 121.3° | 121.1° |
| O34 | S24 | C28 | 110.8° | 110.5° |
| O35 | S24 | C28 | 110.7° | 110.5° |
| S24 | C28 | C29 | 109.6° | 109.5° |
| S24 | C28 | H15 | 109.5° | 109.5° |
| S24 | C28 | H16 | 109.4° | 109.5° |
| C28 | C29 | O30 | 109.6° | 109.4° |
| C29 | C28 | H15 | 109.4° | 109.4° |
| C29 | C28 | H16 | 109.4° | 109.5° |
| C28 | C29 | H17 | 109.4° | 109.4° |
| C28 | C29 | H18 | 109.5° | 109.5° |
| O30 | C29 | H17 | 109.4° | 109.5° |
| O30 | C29 | H18 | 109.4° | 109.5° |
| C29 | O30 | H19 | 109.5° | 114.0° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.4° | 109.5° |
| H20 | C33 | H21 | 109.5° | 109.5° |
| H20 | C33 | H22 | 109.5° | 109.4° |
| H21 | C33 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.7° | 0.3° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C13 | C12 | C11 | H4 | 179.4° | 180.0° |
| C12 | C13 | C14 | H7 | 178.3° | 180.0° |
| C14 | C13 | C12 | C11 | 1.1° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.7° |
| C13 | C14 | C15 | C10 | 1.9° | 0.6° |
| C14 | C13 | C12 | H5 | 179.0° | 180.0° |
| C13 | C14 | C15 | H8 | 178.1° | 180.0° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.7° | 0.3° |
| C12 | C11 | C10 | N9 | 179.7° | 180.0° |
| C11 | C12 | C13 | H6 | 178.9° | 180.0° |
| C14 | C15 | C10 | C11 | 1.4° | 0.6° |
| C14 | C15 | C10 | H8 | 180.0° | 179.4° |
| C14 | C15 | C10 | N9 | 179.1° | 179.7° |
| C15 | C14 | C13 | H6 | 178.3° | 179.7° |
| C11 | C10 | C15 | N9 | 179.5° | 179.7° |
| C11 | C10 | N9 | C4 | 103.2° | 92.3° |
| C11 | C10 | N9 | C26 | 76.9° | 87.8° |
| C10 | C11 | C12 | H5 | 179.5° | 180.0° |
| C11 | C10 | C15 | H8 | 178.6° | 180.0° |
| F25 | C2 | C3 | C1 | 179.9° | 180.0° |
| F25 | C2 | C3 | C4 | 178.6° | 180.0° |
| F25 | C2 | C1 | C6 | 179.6° | 180.0° |
| F25 | C2 | C1 | H1 | 0.4° | 0.3° |
| F25 | C2 | C3 | H2 | 1.4° | 0.0° |
| C15 | C10 | N9 | C4 | 77.3° | 87.5° |
| C15 | C10 | N9 | C26 | 102.6° | 92.5° |
| C15 | C10 | C11 | H4 | 179.3° | 179.8° |
| C10 | C15 | C14 | H7 | 178.1° | 179.7° |
| C10 | N9 | C4 | C3 | 4.2° | 0.0° |
| C10 | N9 | C4 | C26 | 179.9° | 180.0° |
| C10 | N9 | C4 | C5 | 176.3° | 180.0° |
| C10 | N9 | C26 | C27 | 1.9° | 0.0° |
| C10 | N9 | C26 | C16 | 177.2° | 180.0° |
| N9 | C10 | C11 | H4 | 0.3° | 0.0° |
| N9 | C10 | C15 | H8 | 0.9° | 0.3° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | N9 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.7° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C3 | C4 | N9 | C5 | 179.5° | 180.0° |
| C3 | C4 | N9 | C26 | 175.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C3 | C4 | C5 | C7 | 177.5° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 1.2° | 0.1° |
| C1 | C2 | C3 | H2 | 178.8° | 179.9° |
| C2 | C1 | C6 | H3 | 178.8° | 179.7° |
| C4 | N9 | C26 | C27 | 178.0° | 180.0° |
| C4 | N9 | C26 | C16 | 2.9° | 0.0° |
| N9 | C4 | C5 | C6 | 178.7° | 180.0° |
| N9 | C4 | C5 | C7 | 2.0° | 0.0° |
| N9 | C4 | C3 | H2 | 0.2° | 0.1° |
| C26 | N9 | C4 | C5 | 3.9° | 0.0° |
| N9 | C26 | C27 | O31 | 105.4° | 76.7° |
| N9 | C26 | C27 | C16 | 179.2° | 180.0° |
| N9 | C26 | C27 | O32 | 74.0° | 103.3° |
| N9 | C26 | C16 | C7 | 0.0° | 0.0° |
| N9 | C26 | C16 | C17 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.8° | 0.0° |
| C4 | C5 | C6 | C7 | 176.6° | 180.0° |
| C4 | C5 | C7 | C16 | 0.7° | 0.0° |
| C4 | C5 | C7 | O8 | 179.1° | 180.0° |
| C5 | C4 | C3 | H2 | 179.4° | 180.0° |
| C4 | C5 | C6 | H3 | 178.2° | 179.7° |
| C1 | C6 | C5 | H3 | 180.0° | 179.8° |
| C1 | C6 | C5 | C7 | 178.5° | 180.0° |
| O31 | C27 | O32 | C33 | 8.3° | 0.0° |
| O31 | C27 | C26 | O32 | 179.4° | 180.0° |
| O31 | C27 | C26 | C16 | 73.8° | 103.3° |
| C33 | O32 | C27 | C26 | 171.1° | 180.0° |
| O32 | C33 | H20 | H21 | 120.0° | 120.0° |
| O32 | C33 | H20 | H22 | 120.0° | 119.9° |
| O32 | C33 | H21 | H22 | 120.0° | 120.0° |
| C27 | C26 | C16 | C7 | 179.1° | 180.0° |
| C27 | C26 | C16 | C17 | 0.8° | 0.0° |
| O32 | C27 | C26 | C16 | 106.8° | 76.7° |
| C27 | O32 | C33 | H20 | 180.0° | 60.0° |
| C27 | O32 | C33 | H21 | 60.0° | 60.0° |
| C27 | O32 | C33 | H22 | 60.0° | 180.0° |
| C26 | C16 | C7 | C5 | 1.7° | 0.0° |
| C26 | C16 | C7 | C17 | 180.0° | 180.0° |
| C26 | C16 | C7 | O8 | 178.1° | 180.0° |
| C26 | C16 | C17 | C18 | 91.5° | 95.8° |
| C26 | C16 | C17 | H9 | 148.6° | 144.2° |
| C26 | C16 | C17 | H10 | 28.5° | 24.1° |
| C6 | C5 | C7 | C16 | 176.0° | 180.0° |
| C6 | C5 | C7 | O8 | 4.2° | 0.0° |
| C5 | C6 | C1 | H1 | 178.8° | 179.7° |
| C5 | C7 | C16 | O8 | 179.8° | 180.0° |
| C5 | C7 | C16 | C17 | 178.3° | 180.0° |
| C7 | C5 | C6 | H3 | 1.5° | 0.2° |
| C7 | C16 | C17 | C18 | 88.6° | 84.2° |
| C7 | C16 | C17 | H9 | 31.3° | 35.8° |
| C7 | C16 | C17 | H10 | 151.5° | 155.9° |
| C17 | C16 | C7 | O8 | 1.9° | 0.0° |
| C16 | C17 | C18 | H9 | 120.0° | 120.0° |
| C16 | C17 | C18 | H10 | 120.0° | 119.9° |
| C16 | C17 | C18 | C23 | 108.2° | 90.0° |
| C16 | C17 | C18 | C19 | 72.7° | 89.8° |
| C16 | C17 | H9 | H10 | 120.2° | 120.0° |
| C17 | C18 | C23 | C19 | 179.1° | 179.8° |
| C17 | C18 | C23 | C22 | 179.2° | 179.7° |
| C17 | C18 | C19 | C20 | 179.4° | 180.0° |
| C18 | C17 | H9 | H10 | 120.1° | 120.1° |
| C17 | C18 | C19 | H11 | 0.6° | 0.0° |
| C17 | C18 | C23 | H14 | 0.8° | 0.0° |
| C18 | C23 | C22 | H14 | 180.0° | 179.7° |
| C23 | C18 | C19 | C20 | 0.3° | 0.3° |
| C18 | C23 | C22 | C21 | 0.1° | 0.5° |
| C23 | C18 | C17 | H9 | 131.8° | 29.9° |
| C23 | C18 | C17 | H10 | 11.7° | 150.0° |
| C23 | C18 | C19 | H11 | 179.7° | 179.8° |
| C18 | C23 | C22 | H13 | 179.9° | 179.7° |
| C19 | C18 | C23 | C22 | 0.1° | 0.5° |
| C18 | C19 | C20 | H11 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C18 | C17 | H9 | 47.3° | 150.3° |
| C19 | C18 | C17 | H10 | 167.4° | 30.2° |
| C18 | C19 | C20 | H12 | 179.7° | 180.0° |
| C19 | C18 | C23 | H14 | 179.9° | 179.8° |
| C23 | C22 | C21 | H13 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.2° | 0.3° |
| C23 | C22 | C21 | S24 | 179.7° | 179.8° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H12 | 180.0° | 180.0° |
| C19 | C20 | C21 | S24 | 179.9° | 180.0° |
| C22 | C21 | C20 | S24 | 179.9° | 179.9° |
| C22 | C21 | S24 | O34 | 16.8° | 26.0° |
| C22 | C21 | S24 | O35 | 144.6° | 153.9° |
| C22 | C21 | S24 | C28 | 97.7° | 90.0° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | H14 | 179.8° | 179.8° |
| C20 | C21 | S24 | O34 | 163.2° | 153.9° |
| C20 | C21 | S24 | O35 | 35.3° | 26.0° |
| C20 | C21 | S24 | C28 | 82.4° | 90.0° |
| C21 | C20 | C19 | H11 | 179.7° | 180.0° |
| C20 | C21 | C22 | H13 | 179.8° | 180.0° |
| C21 | S24 | O34 | O35 | 118.9° | 116.8° |
| C21 | S24 | O34 | C28 | 108.9° | 111.7° |
| C21 | S24 | O35 | C28 | 113.2° | 111.7° |
| C21 | S24 | C28 | C29 | 101.1° | 180.0° |
| S24 | C21 | C20 | H12 | 0.1° | 0.0° |
| S24 | C21 | C22 | H13 | 0.3° | 0.0° |
| C21 | S24 | C28 | H15 | 18.9° | 60.0° |
| C21 | S24 | C28 | H16 | 138.9° | 60.0° |
| O34 | S24 | O35 | C28 | 132.2° | 131.5° |
| O34 | S24 | C28 | C29 | 152.5° | 68.4° |
| O34 | S24 | C28 | H15 | 87.5° | 171.7° |
| O34 | S24 | C28 | H16 | 32.5° | 51.6° |
| O35 | S24 | C28 | C29 | 15.1° | 68.3° |
| O35 | S24 | C28 | H15 | 135.1° | 51.6° |
| O35 | S24 | C28 | H16 | 104.9° | 171.6° |
| S24 | C28 | C29 | H15 | 120.0° | 120.0° |
| S24 | C28 | C29 | H16 | 120.0° | 120.0° |
| S24 | C28 | C29 | O30 | 143.4° | 180.0° |
| S24 | C28 | H15 | H16 | 120.0° | 120.1° |
| S24 | C28 | C29 | H17 | 23.4° | 60.0° |
| S24 | C28 | C29 | H18 | 96.5° | 60.0° |
| C28 | C29 | O30 | H17 | 120.0° | 119.9° |
| C28 | C29 | O30 | H18 | 120.0° | 120.0° |
| C29 | C28 | H15 | H16 | 119.9° | 120.0° |
| C28 | C29 | H17 | H18 | 120.0° | 120.0° |
| C28 | C29 | O30 | H19 | 180.0° | 179.9° |
| O30 | C29 | C28 | H15 | 96.5° | 60.0° |
| O30 | C29 | C28 | H16 | 23.4° | 60.0° |
| O30 | C29 | H17 | H18 | 119.9° | 120.1° |
| H1 | C1 | C6 | H3 | 1.2° | 0.0° |
| H4 | C11 | C12 | H5 | 0.6° | 0.1° |
| H5 | C12 | C13 | H6 | 1.0° | 0.1° |
| H6 | C13 | C14 | H7 | 1.7° | 0.0° |
| H7 | C14 | C15 | H8 | 1.9° | 0.3° |
| H11 | C19 | C20 | H12 | 0.3° | 0.0° |
| H13 | C22 | C23 | H14 | 0.1° | 0.0° |
| H15 | C28 | C29 | H17 | 143.4° | NaN° |
| H15 | C28 | C29 | H18 | 23.5° | 60.0° |
| H16 | C28 | C29 | H17 | 96.6° | 60.0° |
| H16 | C28 | C29 | H18 | 143.4° | NaN° |
| H17 | C29 | O30 | H19 | 60.0° | 60.0° |
| H18 | C29 | O30 | H19 | 60.0° | 60.1° |
| H20 | C33 | H21 | H22 | 120.0° | 120.0° |
