GFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| C21 | C23 | sing | 1.45Å | 1.43Å | Aromatic |
| C21 | C6 | sing | 1.51Å | 1.52Å | |
| C22 | SG | sing | 1.75Å | 1.74Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C32 | sing | 1.41Å | 1.44Å | Aromatic |
| C24 | SG | sing | 1.76Å | 1.75Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.51Å | 1.53Å | |
| C2 | C6 | sing | 1.54Å | 1.56Å | |
| C3 | S7 | sing | 1.77Å | 1.77Å | |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.47Å | 1.47Å | |
| C5 | O11 | doub | 1.21Å | 1.24Å | |
| C6 | S7 | sing | 1.83Å | 1.83Å | |
| C8 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.47Å | |
| C14 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | O19 | doub | 1.21Å | 1.24Å | |
| C16 | O20 | sing | 1.35Å | 1.27Å | |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.37Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| O20 | H12 | sing | 0.97Å | 0.95Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C23 | 113.2° | 114.9° |
| C22 | C21 | C6 | 124.8° | 122.6° |
| C21 | C22 | SG | 112.8° | 111.4° |
| C21 | C22 | H1 | 123.6° | 124.3° |
| C23 | C21 | C6 | 122.0° | 122.6° |
| C21 | C23 | C24 | 112.0° | 111.8° |
| C21 | C23 | C32 | 127.7° | 129.4° |
| C21 | C6 | C2 | 109.5° | 111.1° |
| C21 | C6 | S7 | 113.2° | 111.1° |
| C21 | C6 | H4 | 110.2° | 111.0° |
| C22 | SG | C24 | 90.9° | 92.2° |
| SG | C22 | H1 | 123.6° | 124.3° |
| C24 | C23 | C32 | 120.3° | 118.8° |
| C23 | C24 | SG | 111.1° | 109.7° |
| C23 | C24 | C29 | 122.0° | 119.8° |
| C23 | C32 | C31 | 117.6° | 120.5° |
| C23 | C32 | H16 | 121.2° | 119.8° |
| SG | C24 | C29 | 126.9° | 130.6° |
| C24 | C29 | C30 | 115.4° | 120.2° |
| C24 | C29 | H13 | 122.3° | 119.9° |
| C2 | C1 | C3 | 111.4° | 115.4° |
| C2 | C1 | C4 | 125.9° | 126.9° |
| C1 | C2 | C5 | 108.4° | 109.3° |
| C1 | C2 | C6 | 108.9° | 110.6° |
| C1 | C2 | H2 | 110.0° | 109.3° |
| C3 | C1 | C4 | 122.6° | 117.8° |
| C1 | C3 | S7 | 116.0° | 108.3° |
| C1 | C3 | C8 | 120.3° | 121.2° |
| C1 | C4 | C9 | 117.4° | 121.1° |
| C1 | C4 | H3 | 121.3° | 119.5° |
| C5 | C2 | C6 | 110.9° | 109.2° |
| C2 | C5 | C10 | 119.5° | 120.0° |
| C2 | C5 | O11 | 120.5° | 120.0° |
| C5 | C2 | H2 | 109.5° | 109.2° |
| C2 | C6 | S7 | 107.4° | 101.1° |
| C6 | C2 | H2 | 109.1° | 109.2° |
| C2 | C6 | H4 | 109.7° | 111.1° |
| S7 | C3 | C8 | 123.7° | 130.6° |
| C3 | S7 | C6 | 90.3° | 96.6° |
| C3 | C8 | C12 | 117.9° | 120.2° |
| C3 | C8 | H5 | 121.0° | 119.9° |
| C4 | C9 | C12 | 121.6° | 120.6° |
| C9 | C4 | H3 | 121.3° | 119.5° |
| C4 | C9 | H6 | 119.2° | 119.8° |
| C10 | C5 | O11 | 119.9° | 120.0° |
| C5 | C10 | C13 | 123.1° | 120.2° |
| C5 | C10 | C14 | 116.3° | 120.2° |
| S7 | C6 | H4 | 106.7° | 111.2° |
| C8 | C12 | C9 | 120.0° | 119.3° |
| C12 | C8 | H5 | 121.0° | 119.9° |
| C8 | C12 | H7 | 120.0° | 120.3° |
| C12 | C9 | H6 | 119.2° | 119.7° |
| C9 | C12 | H7 | 120.0° | 120.4° |
| C13 | C10 | C14 | 120.6° | 119.6° |
| C10 | C13 | C15 | 118.7° | 119.6° |
| C10 | C13 | C16 | 122.1° | 120.2° |
| C10 | C14 | C17 | 119.7° | 120.0° |
| C10 | C14 | H8 | 120.1° | 120.0° |
| C15 | C13 | C16 | 119.2° | 120.2° |
| C13 | C15 | C18 | 121.2° | 120.0° |
| C13 | C15 | H9 | 119.4° | 120.0° |
| C13 | C16 | O19 | 120.6° | 120.0° |
| C13 | C16 | O20 | 117.8° | 120.0° |
| C14 | C17 | C18 | 118.8° | 120.4° |
| C17 | C14 | H8 | 120.1° | 120.0° |
| C14 | C17 | H10 | 120.6° | 119.8° |
| C15 | C18 | C17 | 120.8° | 120.5° |
| C18 | C15 | H9 | 119.4° | 120.1° |
| C15 | C18 | H11 | 119.6° | 119.7° |
| O19 | C16 | O20 | 121.6° | 120.0° |
| C16 | O20 | H12 | 109.5° | 117.0° |
| C18 | C17 | H10 | 120.6° | 119.8° |
| C17 | C18 | H11 | 119.6° | 119.8° |
| C29 | C30 | C31 | 124.0° | 120.2° |
| C30 | C29 | H13 | 122.3° | 119.9° |
| C29 | C30 | H14 | 118.0° | 119.9° |
| C30 | C31 | C32 | 120.7° | 120.5° |
| C31 | C30 | H14 | 118.0° | 119.9° |
| C30 | C31 | H15 | 119.7° | 119.7° |
| C32 | C31 | H15 | 119.7° | 119.8° |
| C31 | C32 | H16 | 121.2° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C23 | C6 | 179.7° | 179.7° |
| C21 | C22 | SG | H1 | 180.0° | 180.0° |
| C22 | C21 | C23 | C24 | 0.4° | 0.0° |
| C22 | C21 | C23 | C32 | 178.1° | 180.0° |
| C21 | C22 | SG | C24 | 0.5° | 0.0° |
| C22 | C21 | C6 | C2 | 98.4° | 95.0° |
| C22 | C21 | C6 | S7 | 21.4° | 16.7° |
| C22 | C21 | C6 | H4 | 140.8° | 140.9° |
| C23 | C21 | C22 | SG | 0.2° | 0.0° |
| C21 | C23 | C24 | C32 | 178.6° | 180.0° |
| C21 | C23 | C24 | SG | 0.8° | 0.0° |
| C21 | C23 | C24 | C29 | 177.5° | 180.0° |
| C23 | C21 | C6 | C2 | 81.9° | 85.3° |
| C23 | C21 | C6 | S7 | 158.3° | 163.0° |
| C21 | C23 | C32 | C31 | 179.5° | 180.0° |
| C23 | C21 | C22 | H1 | 179.8° | 180.0° |
| C23 | C21 | C6 | H4 | 38.9° | 38.8° |
| C21 | C23 | C32 | H16 | 0.5° | 0.0° |
| C6 | C21 | C22 | SG | 179.5° | 179.7° |
| C6 | C21 | C23 | C24 | 179.9° | 179.7° |
| C6 | C21 | C23 | C32 | 1.7° | 0.3° |
| C21 | C6 | C2 | C1 | 97.6° | 146.1° |
| C21 | C6 | C2 | C5 | 143.2° | 93.6° |
| C21 | C6 | C2 | S7 | 123.3° | 117.9° |
| C21 | C6 | C2 | H4 | 121.1° | 124.0° |
| C21 | C6 | S7 | C3 | 100.4° | 142.8° |
| C21 | C6 | S7 | H4 | 121.4° | 124.1° |
| C6 | C21 | C22 | H1 | 0.5° | 0.3° |
| C21 | C6 | C2 | H2 | 22.4° | 25.8° |
| C22 | SG | C24 | C23 | 0.8° | 0.0° |
| C22 | SG | C24 | C29 | 177.3° | 180.0° |
| C23 | C24 | SG | C29 | 176.5° | 180.0° |
| C23 | C24 | C29 | C30 | 2.0° | 0.1° |
| C24 | C23 | C32 | C31 | 2.1° | 0.0° |
| C23 | C24 | C29 | H13 | 178.0° | 180.0° |
| C24 | C23 | C32 | H16 | 177.9° | 180.0° |
| C32 | C23 | C24 | SG | 177.8° | 180.0° |
| C32 | C23 | C24 | C29 | 1.1° | 0.0° |
| C23 | C32 | C31 | C30 | 4.4° | 0.0° |
| C23 | C32 | C31 | H16 | 180.0° | 180.0° |
| C23 | C32 | C31 | H15 | 175.6° | 180.0° |
| SG | C24 | C29 | C30 | 178.1° | 180.0° |
| C24 | SG | C22 | H1 | 179.5° | 180.0° |
| SG | C24 | C29 | H13 | 1.9° | 0.1° |
| C24 | C29 | C30 | H13 | 180.0° | 179.9° |
| C24 | C29 | C30 | C31 | 0.3° | 0.1° |
| C24 | C29 | C30 | H14 | 179.7° | 180.0° |
| C2 | C1 | C3 | C4 | 176.1° | 179.8° |
| C1 | C2 | C5 | C6 | 119.5° | 121.1° |
| C1 | C2 | C5 | H2 | 120.0° | 119.5° |
| C1 | C2 | C6 | H2 | 120.0° | 120.3° |
| C2 | C1 | C3 | S7 | 2.8° | 0.4° |
| C2 | C1 | C3 | C8 | 177.2° | 179.7° |
| C2 | C1 | C4 | C9 | 175.6° | 179.8° |
| C1 | C2 | C5 | C10 | 168.2° | 91.5° |
| C1 | C2 | C5 | O11 | 14.0° | 88.6° |
| C1 | C2 | C6 | S7 | 25.8° | 28.2° |
| C2 | C1 | C4 | H3 | 4.4° | 0.2° |
| C1 | C2 | C6 | H4 | 141.3° | 89.8° |
| C3 | C1 | C2 | C5 | 102.2° | 140.6° |
| C3 | C1 | C2 | C6 | 18.6° | 20.3° |
| C1 | C3 | S7 | C8 | 179.9° | 180.0° |
| C3 | C1 | C4 | C9 | 0.1° | 0.0° |
| C1 | C3 | S7 | C6 | 11.2° | 15.5° |
| C1 | C3 | C8 | C12 | 3.9° | 0.2° |
| C3 | C1 | C2 | H2 | 138.1° | 100.0° |
| C3 | C1 | C4 | H3 | 179.9° | 179.9° |
| C1 | C3 | C8 | H5 | 176.1° | 179.8° |
| C4 | C1 | C2 | C5 | 73.7° | 39.7° |
| C4 | C1 | C2 | C6 | 165.5° | 159.9° |
| C4 | C1 | C3 | S7 | 178.8° | 179.8° |
| C4 | C1 | C3 | C8 | 1.1° | 0.1° |
| C1 | C4 | C9 | H3 | 180.0° | 180.0° |
| C1 | C4 | C9 | C12 | 2.0° | 0.1° |
| C4 | C1 | C2 | H2 | 46.0° | 79.8° |
| C1 | C4 | C9 | H6 | 178.0° | 180.0° |
| C5 | C2 | C6 | H2 | 120.7° | 119.4° |
| C2 | C5 | C10 | O11 | 177.9° | 180.0° |
| C5 | C2 | C6 | S7 | 93.5° | 148.5° |
| C2 | C5 | C10 | C13 | 118.3° | 138.8° |
| C2 | C5 | C10 | C14 | 59.8° | 40.9° |
| C5 | C2 | C6 | H4 | 22.1° | 30.4° |
| C2 | C6 | S7 | C3 | 20.6° | 24.9° |
| C6 | C2 | C5 | C10 | 72.4° | 147.5° |
| C6 | C2 | C5 | O11 | 105.5° | 32.5° |
| C2 | C6 | S7 | H4 | 117.5° | 118.0° |
| S7 | C3 | C8 | C12 | 176.1° | 179.7° |
| C3 | S7 | C6 | H4 | 138.1° | 93.1° |
| S7 | C3 | C8 | H5 | 3.9° | 0.3° |
| C8 | C3 | S7 | C6 | 168.9° | 164.5° |
| C3 | C8 | C12 | H5 | 180.0° | 180.0° |
| C3 | C8 | C12 | C9 | 5.7° | 0.2° |
| C3 | C8 | C12 | H7 | 174.3° | 180.0° |
| C4 | C9 | C12 | C8 | 4.9° | 0.1° |
| C4 | C9 | C12 | H6 | 180.0° | 179.9° |
| C4 | C9 | C12 | H7 | 175.1° | 179.9° |
| C5 | C10 | C13 | C14 | 178.1° | 179.7° |
| C5 | C10 | C13 | C15 | 179.3° | 180.0° |
| C5 | C10 | C13 | C16 | 0.8° | 0.1° |
| C5 | C10 | C14 | C17 | 179.6° | 179.9° |
| C10 | C5 | C2 | H2 | 48.2° | 28.1° |
| C5 | C10 | C14 | H8 | 0.4° | 0.0° |
| O11 | C5 | C10 | C13 | 59.6° | 41.2° |
| O11 | C5 | C10 | C14 | 122.3° | 139.1° |
| O11 | C5 | C2 | H2 | 134.0° | 151.9° |
| S7 | C6 | C2 | H2 | 145.8° | 92.1° |
| C8 | C12 | C9 | H7 | 180.0° | 179.8° |
| C8 | C12 | C9 | H6 | 175.1° | 179.9° |
| C12 | C9 | C4 | H3 | 178.0° | 179.9° |
| C9 | C12 | C8 | H5 | 174.3° | 179.8° |
| C10 | C13 | C15 | C16 | 178.6° | 179.9° |
| C13 | C10 | C14 | C17 | 1.4° | 0.3° |
| C10 | C13 | C15 | C18 | 2.1° | 0.0° |
| C10 | C13 | C16 | O19 | 143.7° | 34.0° |
| C10 | C13 | C16 | O20 | 32.5° | 146.0° |
| C13 | C10 | C14 | H8 | 178.6° | 179.7° |
| C10 | C13 | C15 | H9 | 177.8° | 180.0° |
| C14 | C10 | C13 | C15 | 1.3° | 0.3° |
| C14 | C10 | C13 | C16 | 177.3° | 179.8° |
| C10 | C14 | C17 | H8 | 180.0° | 180.0° |
| C10 | C14 | C17 | C18 | 2.3° | 0.0° |
| C10 | C14 | C17 | H10 | 177.6° | 180.0° |
| C13 | C15 | C18 | H9 | 180.0° | 180.0° |
| C15 | C13 | C16 | O19 | 37.7° | 146.1° |
| C15 | C13 | C16 | O20 | 146.0° | 33.9° |
| C13 | C15 | C18 | C17 | 3.2° | 0.3° |
| C13 | C15 | C18 | H11 | 176.9° | 180.0° |
| C16 | C13 | C15 | C18 | 176.4° | 179.9° |
| C13 | C16 | O19 | O20 | 176.1° | 180.0° |
| C16 | C13 | C15 | H9 | 3.6° | 0.1° |
| C13 | C16 | O20 | H12 | 176.2° | 180.0° |
| C14 | C17 | C18 | C15 | 3.2° | 0.3° |
| C14 | C17 | C18 | H10 | 180.0° | 179.9° |
| C14 | C17 | C18 | H11 | 176.8° | 179.9° |
| C15 | C18 | C17 | H11 | 180.0° | 179.7° |
| C15 | C18 | C17 | H10 | 176.8° | 179.7° |
| O19 | C16 | O20 | H12 | 0.0° | 0.0° |
| C18 | C17 | C14 | H8 | 177.7° | 180.0° |
| C17 | C18 | C15 | H9 | 176.8° | 179.7° |
| C29 | C30 | C31 | H14 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 3.6° | 0.1° |
| C29 | C30 | C31 | H15 | 176.4° | 179.9° |
| C30 | C31 | C32 | H15 | 180.0° | 180.0° |
| C31 | C30 | C29 | H13 | 179.7° | 180.0° |
| C30 | C31 | C32 | H16 | 175.6° | 179.9° |
| C32 | C31 | C30 | H14 | 176.4° | 180.0° |
| H2 | C2 | C6 | H4 | 98.6° | 149.9° |
| H3 | C4 | C9 | H6 | 2.0° | 0.0° |
| H5 | C8 | C12 | H7 | 5.7° | 0.0° |
| H6 | C9 | C12 | H7 | 4.9° | 0.1° |
| H8 | C14 | C17 | H10 | 2.4° | 0.0° |
| H9 | C15 | C18 | H11 | 3.2° | 0.1° |
| H10 | C17 | C18 | H11 | 3.2° | 0.0° |
| H13 | C29 | C30 | H14 | 0.3° | 0.1° |
| H14 | C30 | C31 | H15 | 3.6° | 0.0° |
| H15 | C31 | C32 | H16 | 4.4° | 0.1° |
