GXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.26Å | |
| F16 | C15 | sing | 1.35Å | 1.34Å | |
| O05 | C04 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C09 | sing | 1.47Å | 1.51Å | |
| C07 | C06 | sing | 1.51Å | 1.49Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C06 | sing | 1.51Å | 1.50Å | |
| C04 | C02 | sing | 1.49Å | 1.50Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.34Å | |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| C02 | O01 | sing | 1.35Å | 1.29Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| O01 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C09 | 119.4° | 120.0° |
| O08 | C07 | C06 | 122.8° | 120.0° |
| F16 | C15 | C14 | 119.9° | 120.1° |
| F16 | C15 | C09 | 119.6° | 120.2° |
| O05 | C04 | C06 | 122.4° | 120.0° |
| O05 | C04 | C02 | 118.5° | 120.0° |
| C14 | C15 | C09 | 120.5° | 119.7° |
| C15 | C14 | C13 | 119.5° | 120.2° |
| C15 | C14 | H5 | 120.2° | 119.9° |
| C15 | C09 | C07 | 120.0° | 120.2° |
| C15 | C09 | C10 | 119.8° | 119.6° |
| C09 | C07 | C06 | 117.8° | 120.0° |
| C07 | C09 | C10 | 120.2° | 120.2° |
| C07 | C06 | C04 | 117.1° | 109.5° |
| C07 | C06 | H2 | 107.5° | 109.5° |
| C07 | C06 | H3 | 107.6° | 109.5° |
| C14 | C13 | C12 | 120.2° | 120.4° |
| C14 | C13 | H1 | 119.9° | 119.8° |
| C13 | C14 | H5 | 120.3° | 119.8° |
| C09 | C10 | C12 | 119.4° | 119.7° |
| C09 | C10 | F11 | 120.7° | 120.1° |
| C06 | C04 | C02 | 119.1° | 120.0° |
| C04 | C06 | H2 | 107.6° | 109.5° |
| C04 | C06 | H3 | 107.5° | 109.4° |
| C04 | C02 | O03 | 115.2° | 120.0° |
| C04 | C02 | O01 | 122.9° | 120.0° |
| C13 | C12 | C10 | 120.6° | 120.3° |
| C12 | C13 | H1 | 119.9° | 119.8° |
| C13 | C12 | H4 | 119.7° | 119.9° |
| C12 | C10 | F11 | 119.9° | 120.1° |
| C10 | C12 | H4 | 119.7° | 119.9° |
| O03 | C02 | O01 | 121.9° | 120.0° |
| C02 | O01 | H6 | 109.5° | 117.0° |
| H2 | C06 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C09 | C15 | 62.5° | 0.0° |
| O08 | C07 | C09 | C06 | 179.6° | 180.0° |
| O08 | C07 | C09 | C10 | 115.1° | 180.0° |
| O08 | C07 | C06 | C04 | 18.7° | 0.0° |
| O08 | C07 | C06 | H2 | 102.4° | 120.0° |
| O08 | C07 | C06 | H3 | 139.8° | 119.9° |
| F16 | C15 | C14 | C09 | 179.4° | 179.3° |
| F16 | C15 | C09 | C07 | 1.9° | 0.2° |
| F16 | C15 | C14 | C13 | 179.6° | 180.0° |
| F16 | C15 | C09 | C10 | 179.5° | 179.8° |
| F16 | C15 | C14 | H5 | 0.4° | 0.7° |
| O05 | C04 | C06 | C07 | 47.1° | 0.0° |
| O05 | C04 | C06 | C02 | 179.3° | 180.0° |
| O05 | C04 | C02 | O03 | 33.2° | 180.0° |
| O05 | C04 | C02 | O01 | 146.5° | 0.0° |
| O05 | C04 | C06 | H2 | 74.0° | 120.0° |
| O05 | C04 | C06 | H3 | 168.2° | 120.0° |
| C14 | C15 | C09 | C07 | 178.7° | 179.5° |
| C15 | C14 | C13 | H5 | 180.0° | 179.3° |
| C14 | C15 | C09 | C10 | 1.1° | 0.4° |
| C15 | C14 | C13 | C12 | 0.6° | 0.4° |
| C15 | C14 | C13 | H1 | 179.4° | 179.5° |
| C15 | C09 | C07 | C10 | 177.6° | 180.0° |
| C15 | C09 | C07 | C06 | 117.9° | 180.0° |
| C09 | C15 | C14 | C13 | 0.9° | 0.7° |
| C15 | C09 | C10 | C12 | 0.8° | 0.0° |
| C15 | C09 | C10 | F11 | 179.9° | 179.8° |
| C09 | C15 | C14 | H5 | 179.0° | 180.0° |
| C09 | C07 | C06 | C04 | 160.8° | 180.0° |
| C07 | C09 | C10 | C12 | 178.5° | 180.0° |
| C07 | C09 | C10 | F11 | 2.5° | 0.3° |
| C09 | C07 | C06 | H2 | 78.1° | 60.0° |
| C09 | C07 | C06 | H3 | 39.7° | 60.0° |
| C06 | C07 | C09 | C10 | 64.4° | 0.0° |
| C07 | C06 | C04 | H2 | 121.1° | 120.0° |
| C07 | C06 | C04 | H3 | 121.1° | 120.0° |
| C07 | C06 | C04 | C02 | 132.2° | 180.0° |
| C07 | C06 | H2 | H3 | 116.6° | 120.1° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | C10 | 0.4° | 0.0° |
| C14 | C13 | C12 | H4 | 179.6° | 180.0° |
| C09 | C10 | C12 | C13 | 0.5° | 0.3° |
| C09 | C10 | C12 | F11 | 179.0° | 179.7° |
| C09 | C10 | C12 | H4 | 179.5° | 179.7° |
| C06 | C04 | C02 | O03 | 146.1° | 0.0° |
| C06 | C04 | C02 | O01 | 34.1° | 180.0° |
| C04 | C06 | H2 | H3 | 116.5° | 120.0° |
| C04 | C02 | O03 | O01 | 179.7° | 180.0° |
| C02 | C04 | C06 | H2 | 106.7° | 60.0° |
| C02 | C04 | C06 | H3 | 11.1° | 60.0° |
| C04 | C02 | O01 | H6 | 179.7° | 180.0° |
| C13 | C12 | C10 | H4 | 180.0° | 180.0° |
| C13 | C12 | C10 | F11 | 179.6° | 180.0° |
| C12 | C13 | C14 | H5 | 179.4° | 179.7° |
| C10 | C12 | C13 | H1 | 179.6° | 180.0° |
| F11 | C10 | C12 | H4 | 0.4° | 0.0° |
| O03 | C02 | O01 | H6 | 0.0° | 0.0° |
| H1 | C13 | C12 | H4 | 0.4° | 0.0° |
| H1 | C13 | C14 | H5 | 0.6° | 0.2° |
