WZT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P1 | doub | 1.48Å | 1.51Å | |
| O2 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O | sing | 1.61Å | 1.51Å | |
| P1 | O1 | sing | 1.61Å | 1.61Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P1 | O2 | 114.2° | 109.4° |
| O3 | P1 | O | 114.4° | 109.5° |
| O3 | P1 | O1 | 103.7° | 109.5° |
| O2 | P1 | O | 114.7° | 109.5° |
| O2 | P1 | O1 | 103.9° | 109.5° |
| P1 | O2 | H9 | 109.5° | 114.0° |
| O | P1 | O1 | 104.1° | 109.5° |
| P1 | O | H1 | 109.5° | 114.0° |
| P1 | O1 | C1 | 121.0° | 123.0° |
| O1 | C1 | C2 | 109.0° | 109.5° |
| O1 | C1 | H2 | 109.6° | 109.5° |
| O1 | C1 | H3 | 109.6° | 109.4° |
| C6 | C7 | C2 | 120.0° | 120.0° |
| C7 | C6 | C5 | 119.9° | 120.0° |
| C7 | C6 | H7 | 120.0° | 120.0° |
| C6 | C7 | H8 | 120.0° | 120.0° |
| C7 | C2 | C1 | 119.8° | 120.0° |
| C7 | C2 | C3 | 120.1° | 120.0° |
| C2 | C7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C2 | C1 | H2 | 109.6° | 109.5° |
| C2 | C1 | H3 | 109.6° | 109.5° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C6 | C5 | H6 | 120.0° | 120.0° |
| C5 | C6 | H7 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | H4 | 120.1° | 120.0° |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C5 | C4 | H5 | 120.0° | 120.1° |
| C4 | C5 | H6 | 120.0° | 120.0° |
| C4 | C3 | H4 | 120.0° | 120.0° |
| C3 | C4 | H5 | 120.0° | 120.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P1 | O2 | O | 134.9° | 120.0° |
| O3 | P1 | O2 | O1 | 112.2° | 120.0° |
| O3 | P1 | O | O1 | 112.5° | 120.1° |
| O3 | P1 | O1 | C1 | 73.4° | 55.0° |
| O3 | P1 | O | H1 | 0.0° | 59.9° |
| O3 | P1 | O2 | H9 | 0.0° | 179.9° |
| O2 | P1 | O | O1 | 112.8° | 120.0° |
| O2 | P1 | O1 | C1 | 167.0° | 65.0° |
| O2 | P1 | O | H1 | 134.7° | 60.0° |
| O | P1 | O1 | C1 | 46.6° | 175.0° |
| O | P1 | O2 | H9 | 134.9° | 60.0° |
| P1 | O1 | C1 | C2 | 158.1° | 180.0° |
| O1 | P1 | O | H1 | 112.5° | 180.0° |
| P1 | O1 | C1 | H2 | 81.9° | 59.9° |
| P1 | O1 | C1 | H3 | 38.2° | 60.0° |
| O1 | P1 | O2 | H9 | 112.2° | 60.0° |
| O1 | C1 | C2 | C7 | 64.2° | 90.2° |
| O1 | C1 | C2 | H2 | 119.9° | 120.0° |
| O1 | C1 | C2 | H3 | 119.9° | 120.0° |
| O1 | C1 | C2 | C3 | 115.3° | 90.0° |
| O1 | C1 | H2 | H3 | 120.2° | 119.9° |
| C6 | C7 | C2 | H8 | 180.0° | 179.5° |
| C6 | C7 | C2 | C1 | 179.9° | 179.7° |
| C7 | C6 | C5 | H7 | 180.0° | 179.8° |
| C6 | C7 | C2 | C3 | 0.4° | 0.5° |
| C7 | C6 | C5 | C4 | 0.0° | 0.2° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C2 | C1 | C3 | 179.5° | 179.8° |
| C2 | C7 | C6 | C5 | 0.2° | 0.5° |
| C7 | C2 | C3 | C4 | 0.3° | 0.2° |
| C7 | C2 | C1 | H2 | 175.9° | 29.8° |
| C7 | C2 | C1 | H3 | 55.8° | 149.8° |
| C7 | C2 | C3 | H4 | 179.7° | 179.8° |
| C2 | C7 | C6 | H7 | 179.8° | 179.7° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C1 | H2 | H3 | 120.2° | 120.0° |
| C1 | C2 | C3 | H4 | 0.2° | 0.0° |
| C1 | C2 | C7 | H8 | 0.1° | 0.2° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H5 | 179.9° | 179.9° |
| C5 | C6 | C7 | H8 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | H2 | 4.6° | 150.0° |
| C3 | C2 | C1 | H3 | 124.7° | 30.0° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C3 | C2 | C7 | H8 | 179.6° | 180.0° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H6 | 179.9° | 180.0° |
| H4 | C3 | C4 | H5 | 0.0° | 0.0° |
| H5 | C4 | C5 | H6 | 0.1° | 0.1° |
| H6 | C5 | C6 | H7 | 0.0° | 0.0° |
| H7 | C6 | C7 | H8 | 0.3° | 0.3° |
