ZR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | C04 | sing | 1.48Å | 1.54Å | |
| C02 | O01 | sing | 1.35Å | 1.27Å | |
| BR11 | C10 | sing | 1.89Å | 1.92Å | |
| C04 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| O01 | H5 | sing | 0.97Å | 0.95Å | |
| C06 | C07 | sing | 1.48Å | 173.53Å | |
| C07 | O04 | sing | 1.35Å | 0.00Å | |
| C07 | O02 | doub | 1.21Å | 0.00Å | |
| O04 | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C04 | 116.1° | 120.0° |
| O03 | C02 | O01 | 125.0° | 120.0° |
| C13 | C12 | C10 | 116.6° | 120.3° |
| C12 | C13 | C04 | 122.2° | 120.2° |
| C13 | C12 | H3 | 121.7° | 119.8° |
| C12 | C13 | H4 | 118.9° | 119.9° |
| C12 | C10 | BR11 | 113.9° | 120.0° |
| C12 | C10 | C06 | 125.4° | 120.1° |
| C10 | C12 | H3 | 121.7° | 119.8° |
| C13 | C04 | C02 | 117.7° | 120.1° |
| C13 | C04 | C05 | 119.6° | 119.9° |
| C04 | C13 | H4 | 118.9° | 119.9° |
| C04 | C02 | O01 | 118.9° | 120.0° |
| C02 | C04 | C05 | 122.7° | 120.1° |
| C02 | O01 | H5 | 109.5° | 117.0° |
| BR11 | C10 | C06 | 120.8° | 119.9° |
| C04 | C05 | C06 | 120.6° | 119.7° |
| C04 | C05 | H1 | 119.7° | 120.2° |
| C10 | C06 | C05 | 115.6° | 119.8° |
| C10 | C06 | C07 | 95.3° | 120.1° |
| C06 | C05 | H1 | 119.7° | 120.2° |
| C05 | C06 | C07 | 40.9° | 120.1° |
| C06 | C07 | O04 | 90.0° | 120.0° |
| C06 | C07 | O02 | 90.0° | 120.0° |
| O04 | C07 | O02 | 90.0° | 120.0° |
| C07 | O04 | H2 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C04 | C13 | 7.2° | 179.4° |
| O03 | C02 | C04 | O01 | 179.6° | 179.7° |
| O03 | C02 | C04 | C05 | 171.6° | 0.3° |
| O03 | C02 | O01 | H5 | 0.0° | 0.3° |
| C13 | C12 | C10 | H3 | 180.0° | 179.5° |
| C12 | C13 | C04 | H4 | 180.0° | 179.4° |
| C12 | C13 | C04 | C02 | 179.8° | 179.8° |
| C13 | C12 | C10 | BR11 | 178.9° | 179.8° |
| C12 | C13 | C04 | C05 | 1.0° | 0.6° |
| C13 | C12 | C10 | C06 | 0.8° | 0.3° |
| C10 | C12 | C13 | C04 | 1.0° | 0.6° |
| C12 | C10 | BR11 | C06 | 179.7° | 180.0° |
| C12 | C10 | C06 | C05 | 0.6° | 0.0° |
| C10 | C12 | C13 | H4 | 179.0° | 180.0° |
| C12 | C10 | C06 | C07 | 37.7° | 180.0° |
| C13 | C04 | C02 | C05 | 178.8° | 179.7° |
| C13 | C04 | C02 | O01 | 173.2° | 0.3° |
| C13 | C04 | C05 | C06 | 0.8° | 0.3° |
| C13 | C04 | C05 | H1 | 179.3° | 179.7° |
| C04 | C13 | C12 | H3 | 179.0° | 180.0° |
| C02 | C04 | C05 | C06 | 179.6° | 180.0° |
| C02 | C04 | C05 | H1 | 0.5° | 0.0° |
| C02 | C04 | C13 | H4 | 0.1° | 0.3° |
| C04 | C02 | O01 | H5 | 179.5° | 180.0° |
| O01 | C02 | C04 | C05 | 8.0° | 180.0° |
| BR11 | C10 | C06 | C05 | 179.1° | 180.0° |
| BR11 | C10 | C12 | H3 | 1.1° | 0.3° |
| BR11 | C10 | C06 | C07 | 141.9° | 0.0° |
| C04 | C05 | C06 | C10 | 0.5° | 0.0° |
| C04 | C05 | C06 | H1 | 180.0° | 180.0° |
| C05 | C04 | C13 | H4 | 179.0° | 180.0° |
| C04 | C05 | C06 | C07 | 67.2° | 180.0° |
| C10 | C06 | C05 | C07 | 66.7° | 180.0° |
| C10 | C06 | C05 | H1 | 179.5° | 180.0° |
| C06 | C10 | C12 | H3 | 179.2° | 179.8° |
| C10 | C06 | C07 | O04 | 90.0° | 180.0° |
| C10 | C06 | C07 | O02 | 90.0° | 0.0° |
| C05 | C06 | C07 | O04 | 90.0° | 0.0° |
| C05 | C06 | C07 | O02 | 90.0° | 180.0° |
| H1 | C05 | C06 | C07 | 112.8° | 0.0° |
| H3 | C12 | C13 | H4 | 1.0° | 0.5° |
| C06 | C07 | O04 | O02 | 90.0° | 180.0° |
| C06 | C07 | O04 | H2 | 90.0° | 180.0° |
| O02 | C07 | O04 | H2 | 90.0° | 0.0° |
