G0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL4 | C23 | sing | 1.74Å | 1.79Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| O14 | C6 | sing | 1.34Å | 1.40Å | |
| C25 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| O27 | C9 | doub | 1.22Å | 1.19Å | |
| CL1 | C13 | sing | 1.74Å | 1.77Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.33Å | |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C9 | C5 | sing | 1.47Å | 1.53Å | |
| C9 | C8 | sing | 1.48Å | 1.53Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C5 | C4 | sing | 1.47Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C13 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.36Å | Aromatic |
| C8 | N7 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | N17 | sing | 1.47Å | 1.45Å | |
| N17 | C12 | sing | 1.39Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | O28 | doub | 1.21Å | 1.18Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| N7 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | CL3 | sing | 1.74Å | 1.79Å | |
| C10 | CL2 | sing | 1.74Å | 1.78Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| N17 | H15 | sing | 1.01Å | 1.00Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL4 | C23 | C24 | 118.3° | 120.0° |
| CL4 | C23 | C22 | 121.7° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C23 | C24 | H3 | 120.0° | 120.0° |
| C24 | C25 | C20 | 120.7° | 120.0° |
| C25 | C24 | H3 | 120.0° | 120.0° |
| C24 | C25 | H14 | 119.6° | 120.0° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H2 | 120.1° | 120.0° |
| O14 | C6 | C5 | 123.5° | 118.7° |
| O14 | C6 | C1 | 115.0° | 118.7° |
| C6 | O14 | H16 | 109.5° | 117.0° |
| C25 | C20 | C21 | 119.3° | 120.0° |
| C25 | C20 | C19 | 119.1° | 119.9° |
| C20 | C25 | H14 | 119.7° | 120.0° |
| O27 | C9 | C5 | 119.5° | 120.0° |
| O27 | C9 | C8 | 118.6° | 120.0° |
| CL1 | C13 | C8 | 117.4° | 120.5° |
| CL1 | C13 | C12 | 119.9° | 120.5° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | H1 | 119.9° | 120.0° |
| C21 | C22 | H2 | 120.1° | 120.0° |
| C5 | C6 | C1 | 120.5° | 122.6° |
| C6 | C5 | C9 | 120.6° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.0° |
| C6 | C1 | C2 | 109.8° | 111.1° |
| C6 | C1 | H4 | 109.4° | 109.2° |
| C6 | C1 | H5 | 109.4° | 109.1° |
| C5 | C9 | C8 | 121.9° | 120.0° |
| C9 | C5 | C4 | 119.3° | 120.0° |
| C9 | C8 | C13 | 122.0° | 119.7° |
| C9 | C8 | N7 | 118.5° | 119.7° |
| C21 | C20 | C19 | 121.6° | 120.0° |
| C20 | C21 | H1 | 120.0° | 120.0° |
| C20 | C19 | N17 | 110.4° | 109.5° |
| C20 | C19 | H12 | 109.2° | 109.5° |
| C20 | C19 | H13 | 109.2° | 109.5° |
| C5 | C4 | O28 | 121.8° | 121.2° |
| C5 | C4 | C3 | 119.4° | 117.7° |
| C1 | C2 | C3 | 110.1° | 109.2° |
| C2 | C1 | H4 | 109.4° | 109.2° |
| C2 | C1 | H5 | 109.4° | 109.1° |
| C1 | C2 | H6 | 109.3° | 109.5° |
| C1 | C2 | H7 | 109.3° | 109.5° |
| C8 | C13 | C12 | 122.7° | 119.0° |
| C13 | C8 | N7 | 119.5° | 120.6° |
| C13 | C12 | N17 | 116.9° | 120.8° |
| C13 | C12 | C11 | 117.1° | 118.4° |
| C8 | N7 | C10 | 119.0° | 121.8° |
| C19 | N17 | C12 | 126.5° | 111.0° |
| N17 | C19 | H12 | 109.3° | 109.5° |
| N17 | C19 | H13 | 109.3° | 109.4° |
| C19 | N17 | H15 | 105.0° | 111.0° |
| N17 | C12 | C11 | 126.0° | 120.8° |
| C12 | N17 | H15 | 105.1° | 111.0° |
| C2 | C3 | C4 | 109.1° | 107.5° |
| C3 | C2 | H6 | 109.3° | 109.6° |
| C3 | C2 | H7 | 109.3° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.8° |
| C2 | C3 | H9 | 109.6° | 109.8° |
| C12 | C11 | C10 | 119.3° | 119.2° |
| C12 | C11 | CL3 | 124.4° | 120.4° |
| O28 | C4 | C3 | 118.8° | 121.2° |
| C4 | C3 | H8 | 109.6° | 109.9° |
| C4 | C3 | H9 | 109.5° | 109.9° |
| N7 | C10 | C11 | 122.4° | 121.0° |
| N7 | C10 | CL2 | 117.2° | 119.5° |
| C10 | C11 | CL3 | 116.4° | 120.4° |
| C11 | C10 | CL2 | 120.3° | 119.5° |
| H4 | C1 | H5 | 109.5° | 109.1° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.8° |
| H12 | C19 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL4 | C23 | C24 | C22 | 179.7° | 179.7° |
| CL4 | C23 | C24 | C25 | 179.7° | 180.0° |
| CL4 | C23 | C22 | C21 | 180.0° | 179.7° |
| CL4 | C23 | C22 | H2 | 0.0° | 0.3° |
| CL4 | C23 | C24 | H3 | 0.3° | 0.3° |
| C23 | C24 | C25 | H3 | 180.0° | 179.6° |
| C23 | C24 | C25 | C20 | 0.0° | 0.6° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H2 | 179.7° | 180.0° |
| C23 | C24 | C25 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.3° |
| C24 | C25 | C20 | H14 | 180.0° | 179.4° |
| C24 | C25 | C20 | C21 | 0.2° | 0.5° |
| C24 | C25 | C20 | C19 | 179.7° | 179.7° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.5° | 0.1° |
| C23 | C22 | C21 | H1 | 179.5° | 180.0° |
| C22 | C23 | C24 | H3 | 180.0° | 180.0° |
| O14 | C6 | C5 | C1 | 167.7° | 180.0° |
| O14 | C6 | C5 | C9 | 10.1° | 0.6° |
| O14 | C6 | C5 | C4 | 178.5° | 179.4° |
| O14 | C6 | C1 | C2 | 150.6° | 158.0° |
| O14 | C6 | C1 | H4 | 30.5° | 37.5° |
| O14 | C6 | C1 | H5 | 89.3° | 81.7° |
| C25 | C20 | C21 | C22 | 0.5° | 0.2° |
| C25 | C20 | C21 | C19 | 179.5° | 179.8° |
| C25 | C20 | C19 | N17 | 109.0° | 89.8° |
| C25 | C20 | C21 | H1 | 179.5° | 179.7° |
| C20 | C25 | C24 | H3 | 180.0° | 179.8° |
| C25 | C20 | C19 | H12 | 11.2° | 30.3° |
| C25 | C20 | C19 | H13 | 130.9° | 150.3° |
| O27 | C9 | C5 | C6 | 11.6° | 66.3° |
| O27 | C9 | C5 | C8 | 177.7° | 180.0° |
| O27 | C9 | C5 | C4 | 177.0° | 113.7° |
| O27 | C9 | C8 | C13 | 86.9° | 5.4° |
| O27 | C9 | C8 | N7 | 92.2° | 174.8° |
| CL1 | C13 | C8 | C9 | 1.0° | 0.2° |
| CL1 | C13 | C8 | C12 | 179.4° | 179.7° |
| CL1 | C13 | C8 | N7 | 179.9° | 180.0° |
| CL1 | C13 | C12 | N17 | 1.4° | 0.0° |
| CL1 | C13 | C12 | C11 | 179.8° | 180.0° |
| C22 | C21 | C20 | H1 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 179.9° | 180.0° |
| C6 | C5 | C9 | C4 | 171.4° | 180.0° |
| C6 | C5 | C9 | C8 | 166.1° | 113.7° |
| C5 | C6 | C1 | C2 | 40.7° | 22.0° |
| C6 | C5 | C4 | O28 | 171.2° | 168.2° |
| C6 | C5 | C4 | C3 | 8.1° | 11.8° |
| C5 | C6 | C1 | H4 | 160.8° | 142.5° |
| C5 | C6 | C1 | H5 | 79.4° | 98.3° |
| C5 | C6 | O14 | H16 | 4.5° | 5.0° |
| C1 | C6 | C5 | C9 | 157.6° | 179.4° |
| C1 | C6 | C5 | C4 | 13.8° | 0.5° |
| C6 | C1 | C2 | H4 | 120.1° | 120.5° |
| C6 | C1 | C2 | H5 | 120.0° | 120.3° |
| C6 | C1 | C2 | C3 | 61.9° | 53.4° |
| C6 | C1 | H4 | H5 | 119.8° | 119.2° |
| C6 | C1 | C2 | H6 | 58.2° | 173.4° |
| C6 | C1 | C2 | H7 | 178.0° | 66.5° |
| C1 | C6 | O14 | H16 | 163.8° | 175.0° |
| C5 | C9 | C8 | C13 | 95.3° | 174.6° |
| C5 | C9 | C8 | N7 | 85.5° | 5.2° |
| C9 | C5 | C4 | O28 | 17.3° | 11.8° |
| C9 | C5 | C4 | C3 | 163.4° | 168.2° |
| C8 | C9 | C5 | C4 | 5.3° | 66.3° |
| C9 | C8 | C13 | N7 | 179.1° | 179.8° |
| C9 | C8 | C13 | C12 | 178.4° | 180.0° |
| C9 | C8 | N7 | C10 | 178.7° | 179.8° |
| C21 | C20 | C19 | N17 | 71.6° | 90.0° |
| C20 | C21 | C22 | H2 | 179.5° | 180.0° |
| C21 | C20 | C19 | H12 | 168.3° | 150.0° |
| C21 | C20 | C19 | H13 | 48.6° | 29.9° |
| C21 | C20 | C25 | H14 | 179.8° | 179.9° |
| C20 | C19 | N17 | H12 | 120.2° | 120.1° |
| C20 | C19 | N17 | H13 | 120.1° | 120.0° |
| C20 | C19 | N17 | C12 | 156.5° | 180.0° |
| C19 | C20 | C21 | H1 | 0.1° | 0.0° |
| C20 | C19 | H12 | H13 | 119.5° | 120.0° |
| C19 | C20 | C25 | H14 | 0.4° | 0.3° |
| C20 | C19 | N17 | H15 | 81.2° | 56.0° |
| C5 | C4 | C3 | C2 | 29.1° | 42.7° |
| C5 | C4 | O28 | C3 | 179.3° | 180.0° |
| C5 | C4 | C3 | H8 | 149.1° | 76.8° |
| C5 | C4 | C3 | H9 | 90.8° | 162.2° |
| C1 | C2 | C3 | H6 | 120.1° | 119.9° |
| C1 | C2 | C3 | H7 | 120.1° | 119.9° |
| C1 | C2 | C3 | C4 | 55.8° | 63.2° |
| C2 | C1 | H4 | H5 | 119.9° | 119.2° |
| C1 | C2 | H6 | H7 | 119.7° | 120.1° |
| C1 | C2 | C3 | H8 | 175.7° | 56.3° |
| C1 | C2 | C3 | H9 | 64.2° | 177.2° |
| C8 | C13 | C12 | N17 | 179.1° | 179.7° |
| C8 | C13 | C12 | C11 | 0.7° | 0.3° |
| C13 | C8 | N7 | C10 | 0.4° | 0.0° |
| C12 | C13 | C8 | N7 | 0.7° | 0.3° |
| C13 | C12 | N17 | C19 | 139.8° | 120.0° |
| C13 | C12 | N17 | C11 | 178.2° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C13 | C12 | C11 | CL3 | 179.7° | 180.0° |
| C13 | C12 | N17 | H15 | 97.9° | 4.0° |
| C8 | N7 | C10 | C11 | 0.3° | 0.3° |
| C8 | N7 | C10 | CL2 | 179.4° | 180.0° |
| C19 | N17 | C12 | H15 | 122.3° | 124.0° |
| C19 | N17 | C12 | C11 | 42.0° | 60.0° |
| N17 | C19 | H12 | H13 | 119.6° | 119.9° |
| N17 | C12 | C11 | C10 | 178.8° | 180.0° |
| N17 | C12 | C11 | CL3 | 1.4° | 0.0° |
| C12 | N17 | C19 | H12 | 36.3° | 59.9° |
| C12 | N17 | C19 | H13 | 83.4° | 60.0° |
| C2 | C3 | C4 | O28 | 150.2° | 137.3° |
| C2 | C3 | C4 | H8 | 120.0° | 119.5° |
| C2 | C3 | C4 | H9 | 120.0° | 119.5° |
| C3 | C2 | C1 | H4 | 178.1° | 173.9° |
| C3 | C2 | C1 | H5 | 58.1° | 67.0° |
| C3 | C2 | H6 | H7 | 119.7° | 120.2° |
| C2 | C3 | H8 | H9 | 120.2° | 120.9° |
| C12 | C11 | C10 | N7 | 0.4° | 0.3° |
| C12 | C11 | C10 | CL3 | 179.8° | 180.0° |
| C12 | C11 | C10 | CL2 | 179.3° | 180.0° |
| C11 | C12 | N17 | H15 | 80.3° | 176.0° |
| O28 | C4 | C3 | H8 | 30.3° | 103.2° |
| O28 | C4 | C3 | H9 | 89.8° | 17.8° |
| C4 | C3 | C2 | H6 | 64.3° | 176.8° |
| C4 | C3 | C2 | H7 | 175.9° | 56.6° |
| C4 | C3 | H8 | H9 | 120.1° | 121.0° |
| N7 | C10 | C11 | CL2 | 179.7° | 179.7° |
| N7 | C10 | C11 | CL3 | 179.8° | 179.7° |
| CL3 | C11 | C10 | CL2 | 0.5° | 0.0° |
| H1 | C21 | C22 | H2 | 0.5° | 0.1° |
| H3 | C24 | C25 | H14 | 0.1° | 0.4° |
| H4 | C1 | C2 | H6 | 61.9° | 66.2° |
| H4 | C1 | C2 | H7 | 58.0° | 54.0° |
| H5 | C1 | C2 | H6 | 178.2° | 53.0° |
| H5 | C1 | C2 | H7 | 61.9° | 173.1° |
| H6 | C2 | C3 | H8 | 55.6° | 63.7° |
| H6 | C2 | C3 | H9 | 175.7° | 57.2° |
| H7 | C2 | C3 | H8 | 64.2° | 176.2° |
| H7 | C2 | C3 | H9 | 55.9° | 62.9° |
| H12 | C19 | N17 | H15 | 158.6° | 176.1° |
| H13 | C19 | N17 | H15 | 38.9° | 64.0° |
