ZGB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C4 | O1 | sing | 1.36Å | 1.33Å | |
| O1 | C5 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| O2 | C11 | doub | 1.21Å | 1.24Å | |
| C8 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | C11 | sing | 1.34Å | 1.25Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C10 | C9 | sing | 1.53Å | 1.58Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C3 | 115.8° | 120.0° |
| C1 | C2 | C4 | 120.1° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C4 | O1 | C5 | 115.4° | 117.0° |
| O1 | C4 | C2 | 122.0° | 120.1° |
| O1 | C4 | C6 | 123.7° | 120.0° |
| O1 | C5 | H5 | 109.5° | 109.5° |
| O1 | C5 | H5A | 109.5° | 109.5° |
| O1 | C5 | H5B | 109.5° | 109.4° |
| C3 | C2 | C4 | 124.0° | 119.9° |
| C2 | C3 | C8 | 117.6° | 120.1° |
| C2 | C3 | H3 | 121.2° | 120.0° |
| C2 | C4 | C6 | 114.3° | 119.9° |
| O2 | C11 | O3 | 123.4° | 120.0° |
| O2 | C11 | C10 | 115.4° | 120.0° |
| C8 | C3 | H3 | 121.2° | 119.9° |
| C3 | C8 | C7 | 122.2° | 120.1° |
| C3 | C8 | C9 | 118.8° | 120.0° |
| C11 | O3 | HO3 | 109.5° | 117.0° |
| O3 | C11 | C10 | 120.5° | 120.0° |
| C4 | C6 | C7 | 123.4° | 119.9° |
| C4 | C6 | H6 | 118.3° | 120.0° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H5 | C5 | H5B | 109.4° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.4° |
| C7 | C6 | H6 | 118.3° | 120.1° |
| C6 | C7 | C8 | 118.3° | 120.1° |
| C6 | C7 | H7 | 120.8° | 119.9° |
| C8 | C7 | H7 | 120.8° | 120.0° |
| C7 | C8 | C9 | 119.0° | 119.9° |
| C8 | C9 | C10 | 113.3° | 109.5° |
| C8 | C9 | H9 | 108.2° | 109.5° |
| C8 | C9 | H9A | 108.2° | 109.5° |
| C10 | C9 | H9 | 108.2° | 109.5° |
| C10 | C9 | H9A | 108.2° | 109.5° |
| C9 | C10 | C11 | 114.7° | 109.5° |
| C9 | C10 | H10 | 107.8° | 109.5° |
| C9 | C10 | H10A | 107.8° | 109.4° |
| H9 | C9 | H9A | 110.7° | 109.4° |
| C11 | C10 | H10 | 107.8° | 109.5° |
| C11 | C10 | H10A | 107.8° | 109.5° |
| H10 | C10 | H10A | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C4 | O1 | 0.8° | 0.0° |
| C1 | C2 | C3 | C4 | 176.3° | 179.7° |
| C1 | C2 | C3 | C8 | 179.3° | 180.0° |
| C1 | C2 | C3 | H3 | 0.7° | 0.1° |
| C1 | C2 | C4 | C6 | 179.6° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 88.4° | 89.7° |
| H1 | C1 | C2 | C4 | 88.1° | 90.0° |
| H1A | C1 | C2 | C3 | 151.6° | 30.3° |
| H1A | C1 | C2 | C4 | 31.9° | 150.0° |
| H1B | C1 | C2 | C3 | 31.6° | 150.3° |
| H1B | C1 | C2 | C4 | 151.9° | 30.0° |
| O1 | C4 | C2 | C3 | 176.9° | 179.7° |
| O1 | C4 | C2 | C6 | 179.7° | 180.0° |
| C4 | O1 | C5 | H5 | 180.0° | 60.0° |
| C4 | O1 | C5 | H5A | 60.0° | 60.1° |
| C4 | O1 | C5 | H5B | 60.0° | 180.0° |
| O1 | C4 | C6 | C7 | 176.2° | 179.9° |
| O1 | C4 | C6 | H6 | 3.8° | 0.0° |
| C5 | O1 | C4 | C2 | 176.7° | 180.0° |
| C5 | O1 | C4 | C6 | 3.7° | 0.1° |
| O1 | C5 | H5 | H5A | 120.0° | 120.1° |
| O1 | C5 | H5 | H5B | 120.0° | 120.0° |
| O1 | C5 | H5A | H5B | 120.0° | 120.0° |
| C2 | C3 | C8 | H3 | 180.0° | 179.9° |
| C3 | C2 | C4 | C6 | 3.4° | 0.3° |
| C2 | C3 | C8 | C7 | 3.2° | 0.0° |
| C2 | C3 | C8 | C9 | 179.8° | 180.0° |
| C4 | C2 | C3 | C8 | 3.0° | 0.3° |
| C4 | C2 | C3 | H3 | 177.0° | 179.8° |
| C2 | C4 | C6 | C7 | 4.1° | 0.0° |
| C2 | C4 | C6 | H6 | 175.9° | 180.0° |
| O2 | C11 | O3 | C10 | 169.5° | 180.0° |
| O2 | C11 | O3 | HO3 | 0.0° | 0.0° |
| O2 | C11 | C10 | C9 | 25.2° | 0.0° |
| O2 | C11 | C10 | H10 | 94.8° | 120.0° |
| O2 | C11 | C10 | H10A | 145.2° | 120.0° |
| C3 | C8 | C7 | C6 | 3.9° | 0.2° |
| C3 | C8 | C7 | C9 | 176.6° | 180.0° |
| C3 | C8 | C7 | H7 | 176.2° | 180.0° |
| C3 | C8 | C9 | C10 | 98.8° | 90.0° |
| C3 | C8 | C9 | H9 | 21.2° | 149.9° |
| C3 | C8 | C9 | H9A | 141.2° | 30.0° |
| H3 | C3 | C8 | C7 | 176.8° | 179.9° |
| H3 | C3 | C8 | C9 | 0.2° | 0.0° |
| O3 | C11 | C10 | C9 | 145.1° | 180.0° |
| O3 | C11 | C10 | H10 | 94.9° | 60.0° |
| O3 | C11 | C10 | H10A | 25.1° | 60.0° |
| HO3 | O3 | C11 | C10 | 169.5° | 180.0° |
| C4 | C6 | C7 | H6 | 180.0° | 180.0° |
| C4 | C6 | C7 | C8 | 4.5° | 0.2° |
| C4 | C6 | C7 | H7 | 175.5° | 180.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 179.6° | 179.8° |
| H6 | C6 | C7 | C8 | 175.5° | 179.7° |
| H6 | C6 | C7 | H7 | 4.5° | 0.0° |
| C7 | C8 | C9 | C10 | 77.9° | 90.0° |
| C7 | C8 | C9 | H9 | 162.1° | 30.0° |
| C7 | C8 | C9 | H9A | 42.1° | 149.9° |
| H7 | C7 | C8 | C9 | 0.4° | 0.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 118.4° | 119.9° |
| C8 | C9 | C10 | C11 | 166.1° | NaN° |
| C8 | C9 | C10 | H10 | 73.9° | 60.0° |
| C8 | C9 | C10 | H10A | 46.1° | 60.0° |
| C10 | C9 | H9 | H9A | 118.5° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 117.8° | 120.0° |
| H9 | C9 | C10 | C11 | 46.1° | 60.0° |
| H9 | C9 | C10 | H10 | 166.1° | 180.0° |
| H9 | C9 | C10 | H10A | 73.9° | 60.0° |
| H9A | C9 | C10 | C11 | 73.9° | 60.0° |
| H9A | C9 | C10 | H10 | 46.1° | 60.0° |
| H9A | C9 | C10 | H10A | 166.1° | 180.0° |
| C11 | C10 | H10 | H10A | 117.9° | 120.0° |
