GXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C10 | sing | 1.74Å | 1.69Å | |
| O08 | C07 | doub | 1.21Å | 1.24Å | |
| C10 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| O05 | C04 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C09 | sing | 1.47Å | 1.50Å | |
| C07 | C06 | sing | 1.51Å | 1.50Å | |
| C09 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C06 | sing | 1.51Å | 1.50Å | |
| C04 | C02 | sing | 1.49Å | 1.47Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL2 | sing | 1.74Å | 1.69Å | |
| O01 | C02 | doub | 1.21Å | 1.36Å | |
| C02 | O03 | sing | 1.35Å | 1.25Å | |
| 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 | |
| O03 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C10 | C12 | 118.8° | 120.1° |
| CL1 | C10 | C09 | 119.8° | 120.1° |
| O08 | C07 | C09 | 122.2° | 120.0° |
| O08 | C07 | C06 | 119.6° | 120.0° |
| C12 | C10 | C09 | 121.4° | 119.8° |
| C10 | C12 | C13 | 120.9° | 120.2° |
| C10 | C12 | H4 | 119.5° | 119.9° |
| C10 | C09 | C07 | 121.0° | 120.2° |
| C10 | C09 | C15 | 116.8° | 119.7° |
| O05 | C04 | C06 | 127.5° | 119.9° |
| O05 | C04 | C02 | 116.2° | 120.1° |
| C12 | C13 | C14 | 118.8° | 120.4° |
| C12 | C13 | H1 | 120.6° | 119.8° |
| C13 | C12 | H4 | 119.6° | 119.9° |
| C09 | C07 | C06 | 118.2° | 120.0° |
| C07 | C09 | C15 | 122.2° | 120.2° |
| C07 | C06 | C04 | 116.9° | 109.5° |
| C07 | C06 | H2 | 107.6° | 109.5° |
| C07 | C06 | H3 | 107.6° | 109.5° |
| C09 | C15 | C14 | 122.1° | 119.8° |
| C09 | C15 | CL2 | 121.3° | 120.1° |
| C13 | C14 | C15 | 119.8° | 120.2° |
| C14 | C13 | H1 | 120.6° | 119.8° |
| C13 | C14 | H5 | 120.1° | 119.9° |
| C06 | C04 | C02 | 115.6° | 120.0° |
| C04 | C06 | H2 | 107.6° | 109.4° |
| C04 | C06 | H3 | 107.6° | 109.4° |
| C04 | C02 | O01 | 112.5° | 120.0° |
| C04 | C02 | O03 | 119.8° | 119.9° |
| C14 | C15 | CL2 | 116.5° | 120.1° |
| C15 | C14 | H5 | 120.1° | 119.9° |
| O01 | C02 | O03 | 115.9° | 120.1° |
| C02 | O03 | 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) |
| CL1 | C10 | C12 | C09 | 179.7° | 179.8° |
| CL1 | C10 | C12 | C13 | 179.3° | 179.8° |
| CL1 | C10 | C09 | C07 | 3.5° | 0.2° |
| CL1 | C10 | C09 | C15 | 178.6° | 179.8° |
| CL1 | C10 | C12 | H4 | 0.7° | 0.3° |
| O08 | C07 | C09 | C10 | 53.9° | 0.1° |
| O08 | C07 | C09 | C06 | 179.4° | 179.9° |
| O08 | C07 | C09 | C15 | 123.9° | 179.9° |
| O08 | C07 | C06 | C04 | 10.1° | 0.0° |
| O08 | C07 | C06 | H2 | 110.9° | 119.9° |
| O08 | C07 | C06 | H3 | 131.2° | 120.0° |
| C10 | C12 | C13 | H4 | 180.0° | 180.0° |
| C12 | C10 | C09 | C07 | 176.8° | 180.0° |
| C12 | C10 | C09 | C15 | 1.1° | 0.0° |
| C10 | C12 | C13 | C14 | 0.2° | 0.0° |
| C10 | C12 | C13 | H1 | 179.8° | 180.0° |
| C09 | C10 | C12 | C13 | 0.4° | 0.0° |
| C10 | C09 | C07 | C15 | 177.7° | 180.0° |
| C10 | C09 | C07 | C06 | 126.7° | 180.0° |
| C10 | C09 | C15 | C14 | 1.6° | 0.0° |
| C10 | C09 | C15 | CL2 | 177.6° | 180.0° |
| C09 | C10 | C12 | H4 | 179.6° | 180.0° |
| O05 | C04 | C06 | C07 | 25.0° | 0.0° |
| O05 | C04 | C06 | C02 | 170.3° | 179.9° |
| O05 | C04 | C02 | O01 | 43.0° | 180.0° |
| O05 | C04 | C02 | O03 | 175.7° | 0.1° |
| O05 | C04 | C06 | H2 | 96.1° | 120.0° |
| O05 | C04 | C06 | H3 | 146.0° | 120.0° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H5 | 179.3° | 180.0° |
| C09 | C07 | C06 | C04 | 169.3° | 180.0° |
| C07 | C09 | C15 | C14 | 176.2° | 180.0° |
| C07 | C09 | C15 | CL2 | 0.2° | 0.0° |
| C09 | C07 | C06 | H2 | 69.7° | 60.0° |
| C09 | C07 | C06 | H3 | 48.3° | 60.1° |
| C06 | C07 | C09 | C15 | 55.6° | 0.0° |
| C07 | C06 | C04 | H2 | 121.0° | 120.0° |
| C07 | C06 | C04 | H3 | 121.1° | 120.0° |
| C07 | C06 | C04 | C02 | 145.4° | 179.9° |
| C07 | C06 | H2 | H3 | 116.7° | 120.0° |
| C09 | C15 | C14 | C13 | 1.5° | 0.0° |
| C09 | C15 | C14 | CL2 | 176.2° | 180.0° |
| C09 | C15 | C14 | H5 | 178.5° | 180.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | CL2 | 177.6° | 180.0° |
| C14 | C13 | C12 | H4 | 179.8° | 180.0° |
| C06 | C04 | C02 | O01 | 128.5° | 0.1° |
| C06 | C04 | C02 | O03 | 12.9° | 180.0° |
| C04 | C06 | H2 | H3 | 116.6° | 119.9° |
| C04 | C02 | O01 | O03 | 143.0° | 179.9° |
| C02 | C04 | C06 | H2 | 93.6° | 60.0° |
| C02 | C04 | C06 | H3 | 24.3° | 59.9° |
| C04 | C02 | O03 | H6 | 140.1° | 180.0° |
| C15 | C14 | C13 | H1 | 179.2° | 180.0° |
| CL2 | C15 | C14 | H5 | 2.4° | 0.0° |
| O01 | C02 | O03 | H6 | 0.0° | 0.1° |
| H1 | C13 | C12 | H4 | 0.2° | 0.0° |
| H1 | C13 | C14 | H5 | 0.8° | 0.0° |
