GS9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | S1 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| S1 | C7 | sing | 1.76Å | 1.65Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C80 | C90 | doub | 1.36Å | 1.42Å | Aromatic |
| C80 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C90 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.42Å | 1.50Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C80 | H80 | sing | 1.08Å | 1.08Å | |
| C90 | H90 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | S1 | 108.1° | 109.5° |
| O5 | C1 | C2 | 109.0° | 109.4° |
| C1 | O5 | C5 | 114.5° | 114.2° |
| O5 | C1 | H1 | 111.0° | 109.4° |
| S1 | C1 | C2 | 113.0° | 109.5° |
| C1 | S1 | C7 | 103.3° | 103.0° |
| S1 | C1 | H1 | 106.3° | 109.5° |
| C1 | C2 | O2 | 114.3° | 109.6° |
| C1 | C2 | C3 | 106.2° | 109.1° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.6° |
| O5 | C5 | C4 | 111.2° | 109.4° |
| O5 | C5 | C6 | 109.8° | 109.5° |
| O5 | C5 | H5 | 109.1° | 109.5° |
| S1 | C7 | C80 | 119.2° | 119.7° |
| S1 | C7 | C8 | 123.7° | 119.7° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| O2 | C2 | H2 | 109.7° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 110.1° | 109.6° |
| C2 | C3 | C4 | 106.0° | 109.0° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C2 | C3 | H3 | 110.8° | 109.6° |
| O3 | C3 | C4 | 106.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C3 | H3 | 112.2° | 109.5° |
| C3 | C4 | O4 | 108.6° | 109.5° |
| C3 | C4 | C5 | 110.8° | 109.2° |
| C4 | C3 | H3 | 110.8° | 109.6° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| O4 | C4 | C5 | 109.7° | 109.5° |
| O4 | C4 | H4 | 110.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 110.5° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.4° |
| C5 | C4 | H4 | 108.6° | 109.6° |
| C90 | C80 | C7 | 124.7° | 120.9° |
| C80 | C90 | C14 | 119.0° | 119.9° |
| C90 | C80 | H80 | 117.6° | 119.6° |
| C80 | C90 | H90 | 120.5° | 120.0° |
| C80 | C7 | C8 | 117.0° | 120.6° |
| C7 | C80 | H80 | 117.7° | 119.5° |
| C5 | C6 | O6 | 107.7° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | H61 | 109.9° | 109.5° |
| C5 | C6 | H62 | 109.9° | 109.5° |
| C90 | C14 | C13 | 122.2° | 121.1° |
| C90 | C14 | C9 | 118.5° | 119.5° |
| C14 | C90 | H90 | 120.5° | 120.1° |
| C13 | C14 | C9 | 119.3° | 119.3° |
| C14 | C13 | C12 | 120.1° | 119.7° |
| C14 | C13 | H13 | 119.9° | 120.1° |
| O6 | C6 | H61 | 109.9° | 109.5° |
| O6 | C6 | H62 | 109.9° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C7 | C8 | C9 | 121.1° | 119.5° |
| C7 | C8 | H8 | 119.5° | 120.2° |
| C8 | C9 | C10 | 122.4° | 121.2° |
| C8 | C9 | C14 | 119.7° | 119.5° |
| C9 | C8 | H8 | 119.5° | 120.3° |
| C10 | C9 | C14 | 117.9° | 119.3° |
| C9 | C10 | C11 | 121.0° | 119.6° |
| C9 | C10 | H10 | 119.5° | 120.2° |
| C10 | C11 | C12 | 120.7° | 121.0° |
| C11 | C10 | H10 | 119.5° | 120.2° |
| C10 | C11 | H11 | 119.6° | 119.5° |
| C11 | C12 | C13 | 121.0° | 121.0° |
| C12 | C11 | H11 | 119.6° | 119.5° |
| C11 | C12 | H12 | 119.5° | 119.5° |
| C13 | C12 | H12 | 119.5° | 119.5° |
| C12 | C13 | H13 | 120.0° | 120.2° |
| H61 | C6 | H62 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | S1 | C2 | 120.7° | 120.0° |
| O5 | C1 | S1 | H1 | 119.2° | 120.0° |
| O5 | C1 | C2 | H1 | 121.5° | 120.0° |
| O5 | C1 | S1 | C7 | 81.7° | 65.0° |
| O5 | C1 | C2 | O2 | 173.8° | 177.5° |
| O5 | C1 | C2 | C3 | 65.3° | 57.6° |
| C1 | O5 | C5 | C4 | 51.2° | 61.1° |
| C1 | O5 | C5 | C6 | 173.9° | 178.9° |
| O5 | C1 | C2 | H2 | 51.2° | 62.3° |
| C1 | O5 | C5 | H5 | 67.8° | 58.8° |
| S1 | C1 | C2 | H1 | 118.3° | 120.0° |
| S1 | C1 | O5 | C5 | 178.6° | 178.8° |
| S1 | C1 | C2 | O2 | 53.7° | 62.6° |
| S1 | C1 | C2 | C3 | 174.5° | 177.6° |
| C1 | S1 | C7 | C80 | 166.8° | 0.0° |
| C1 | S1 | C7 | C8 | 11.8° | 180.0° |
| S1 | C1 | C2 | H2 | 69.0° | 57.7° |
| C2 | C1 | O5 | C5 | 58.2° | 61.2° |
| C2 | C1 | S1 | C7 | 157.6° | 175.0° |
| C1 | C2 | O2 | C3 | 119.0° | 119.7° |
| C1 | C2 | O2 | H2 | 121.8° | 120.2° |
| C1 | C2 | C3 | H2 | 116.3° | 119.9° |
| C1 | C2 | C3 | O3 | 178.7° | 176.9° |
| C1 | C2 | C3 | C4 | 66.3° | 57.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 54.0° | 63.0° |
| O5 | C5 | C4 | C3 | 52.0° | 57.5° |
| O5 | C5 | C4 | O4 | 67.9° | 62.4° |
| O5 | C5 | C4 | C6 | 122.3° | 120.0° |
| O5 | C5 | C4 | H5 | 119.6° | 119.9° |
| O5 | C5 | C6 | H5 | 118.9° | 120.1° |
| O5 | C5 | C6 | O6 | 55.4° | 65.0° |
| C5 | O5 | C1 | H1 | 62.4° | 58.8° |
| O5 | C5 | C4 | H4 | 171.5° | 177.5° |
| O5 | C5 | C6 | H61 | 175.1° | 175.0° |
| O5 | C5 | C6 | H62 | 64.3° | 55.0° |
| S1 | C7 | C80 | C90 | 179.9° | 180.0° |
| S1 | C7 | C80 | C8 | 178.6° | 180.0° |
| S1 | C7 | C8 | C9 | 179.6° | 180.0° |
| C7 | S1 | C1 | H1 | 37.5° | 55.0° |
| S1 | C7 | C80 | H80 | 0.1° | 0.2° |
| S1 | C7 | C8 | H8 | 0.4° | 0.0° |
| O2 | C2 | C3 | H2 | 119.8° | 120.1° |
| O2 | C2 | C3 | O3 | 54.8° | 63.2° |
| O2 | C2 | C3 | C4 | 169.8° | 176.9° |
| O2 | C2 | C1 | H1 | 64.7° | 57.5° |
| O2 | C2 | C3 | H3 | 69.9° | 57.0° |
| C2 | C3 | O3 | C4 | 114.6° | 119.6° |
| C2 | C3 | O3 | H3 | 123.9° | 120.2° |
| C2 | C3 | C4 | H3 | 120.3° | 119.9° |
| C2 | C3 | C4 | O4 | 59.9° | 62.9° |
| C2 | C3 | C4 | C5 | 60.7° | 57.0° |
| C3 | C2 | C1 | H1 | 56.2° | 62.4° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C3 | C2 | O2 | HO2 | 61.0° | 179.6° |
| C2 | C3 | C4 | H4 | 180.0° | 176.9° |
| O3 | C3 | C4 | H3 | 122.4° | 120.2° |
| O3 | C3 | C4 | O4 | 57.4° | 57.0° |
| O3 | C3 | C4 | C5 | 178.0° | 176.9° |
| O3 | C3 | C2 | H2 | 65.0° | 56.9° |
| O3 | C3 | C4 | H4 | 62.7° | 63.2° |
| C3 | C4 | O4 | C5 | 121.2° | 119.7° |
| C3 | C4 | O4 | H4 | 119.2° | 120.1° |
| C3 | C4 | C5 | H4 | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 174.3° | 177.6° |
| C4 | C3 | C2 | H2 | 50.0° | 63.0° |
| C3 | C4 | C5 | H5 | 67.6° | 62.4° |
| C4 | C3 | O3 | HO3 | 65.4° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| O4 | C4 | C5 | H4 | 120.6° | 120.1° |
| O4 | C4 | C5 | C6 | 54.4° | 57.7° |
| O4 | C4 | C5 | H5 | 172.5° | 177.7° |
| O4 | C4 | C3 | H3 | 179.8° | 177.1° |
| C4 | C5 | C6 | H5 | 118.0° | 120.0° |
| C4 | C5 | C6 | O6 | 178.5° | 175.0° |
| C5 | C4 | C3 | H3 | 59.6° | 63.0° |
| C5 | C4 | O4 | HO4 | 58.8° | 179.6° |
| C4 | C5 | C6 | H61 | 61.8° | 55.0° |
| C4 | C5 | C6 | H62 | 58.8° | 65.0° |
| C90 | C80 | C7 | H80 | 180.0° | 179.7° |
| C80 | C90 | C14 | H90 | 180.0° | 180.0° |
| C80 | C90 | C14 | C13 | 179.6° | 180.0° |
| C90 | C80 | C7 | C8 | 1.2° | 0.0° |
| C80 | C90 | C14 | C9 | 0.4° | 0.0° |
| C7 | C80 | C90 | C14 | 0.9° | 0.0° |
| C80 | C7 | C8 | C9 | 1.1° | 0.0° |
| C7 | C80 | C90 | H90 | 179.1° | 180.0° |
| C80 | C7 | C8 | H8 | 179.0° | 180.0° |
| C5 | C6 | O6 | H61 | 119.7° | 120.0° |
| C5 | C6 | O6 | H62 | 119.7° | 120.0° |
| C6 | C5 | C4 | H4 | 66.2° | 62.5° |
| C5 | C6 | H61 | H62 | 120.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C90 | C14 | C13 | C9 | 180.0° | 180.0° |
| C90 | C14 | C9 | C8 | 0.3° | 0.0° |
| C90 | C14 | C9 | C10 | 179.8° | 179.9° |
| C90 | C14 | C13 | C12 | 179.6° | 180.0° |
| C14 | C90 | C80 | H80 | 179.1° | 179.7° |
| C90 | C14 | C13 | H13 | 0.4° | 0.1° |
| C13 | C14 | C9 | C8 | 179.8° | 180.0° |
| C13 | C14 | C9 | C10 | 0.2° | 0.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C13 | C14 | C90 | H90 | 0.4° | 0.0° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| O6 | C6 | C5 | H5 | 63.6° | 55.0° |
| O6 | C6 | H61 | H62 | 120.8° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.4° | 180.0° |
| C7 | C8 | C9 | C14 | 0.6° | 0.0° |
| C8 | C7 | C80 | H80 | 178.8° | 179.7° |
| C8 | C9 | C10 | C14 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 0.0° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C8 | H8 | 0.6° | 0.0° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| C14 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C14 | C13 | C12 | 0.3° | 0.0° |
| C9 | C14 | C90 | H90 | 179.6° | 180.0° |
| C14 | C9 | C8 | H8 | 179.4° | 180.0° |
| C14 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C14 | C13 | H13 | 179.6° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 172.7° | 177.7° |
| H2 | C2 | O2 | HO2 | 58.2° | 60.3° |
| H2 | C2 | C3 | H3 | 170.3° | 177.1° |
| H5 | C5 | C4 | H4 | 51.9° | 57.6° |
| H5 | C5 | C6 | H61 | 56.2° | 65.0° |
| H5 | C5 | C6 | H62 | 176.7° | 175.0° |
| HO3 | O3 | C3 | H3 | 56.1° | 60.2° |
| H3 | C3 | C4 | H4 | 59.7° | 57.0° |
| H4 | C4 | O4 | HO4 | 60.8° | 60.2° |
| H80 | C80 | C90 | H90 | 0.9° | 0.3° |
| H61 | C6 | O6 | HO6 | 60.3° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.3° | 59.9° |
| H10 | C10 | C11 | H11 | 0.1° | 0.1° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
