ZCQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.45Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | N1 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| N1 | O2 | sing | 1.22Å | 1.25Å | |
| N1 | O3 | doub | 1.22Å | 1.26Å | |
| H1O | O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 124.7° | 119.9° |
| C2 | C1 | O1 | 116.9° | 120.1° |
| C1 | C2 | C3 | 118.5° | 120.0° |
| C1 | C2 | H21 | 120.7° | 120.0° |
| C6 | C1 | O1 | 118.5° | 120.1° |
| C1 | C6 | C5 | 117.2° | 119.9° |
| C1 | C6 | H61 | 121.4° | 120.0° |
| C1 | O1 | H1O | 109.5° | 114.0° |
| C3 | C2 | H21 | 120.8° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.1° |
| C2 | C3 | N1 | 119.9° | 120.0° |
| C4 | C3 | N1 | 121.5° | 119.9° |
| C3 | C4 | C5 | 121.4° | 120.1° |
| C3 | C4 | H41 | 119.3° | 120.0° |
| C3 | N1 | O2 | 121.9° | 120.0° |
| C3 | N1 | O3 | 121.5° | 120.0° |
| C5 | C4 | H41 | 119.3° | 119.9° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C4 | C5 | H51 | 120.1° | 120.0° |
| C6 | C5 | H51 | 120.2° | 119.9° |
| C5 | C6 | H61 | 121.4° | 120.1° |
| O2 | N1 | O3 | 116.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | N1 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H61 | 179.9° | 180.0° |
| C2 | C1 | O1 | H1O | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H21 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H61 | 180.0° | 180.0° |
| C1 | C6 | C5 | H51 | 179.9° | 180.0° |
| C6 | C1 | O1 | H1O | 0.0° | 90.2° |
| O1 | C1 | C2 | C3 | 179.9° | 179.7° |
| O1 | C1 | C2 | H21 | 0.1° | 0.3° |
| O1 | C1 | C6 | C5 | 179.9° | 179.8° |
| O1 | C1 | C6 | H61 | 0.1° | 0.2° |
| C2 | C3 | C4 | N1 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H41 | 179.8° | 180.0° |
| C2 | C3 | N1 | O2 | 179.5° | 0.1° |
| C2 | C3 | N1 | O3 | 0.0° | 180.0° |
| H21 | C2 | C3 | C4 | 179.8° | 180.0° |
| H21 | C2 | C3 | N1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C4 | C3 | N1 | O2 | 0.7° | 180.0° |
| C4 | C3 | N1 | O3 | 179.9° | 0.1° |
| N1 | C3 | C4 | C5 | 179.9° | 180.0° |
| N1 | C3 | C4 | H41 | 0.1° | 0.1° |
| C3 | N1 | O2 | O3 | 179.5° | 179.9° |
| C4 | C5 | C6 | H51 | 180.0° | 179.9° |
| C4 | C5 | C6 | H61 | 179.9° | 179.9° |
| H41 | C4 | C5 | C6 | 180.0° | 180.0° |
| H41 | C4 | C5 | H51 | 0.1° | 0.1° |
| H51 | C5 | C6 | H61 | 0.1° | 0.0° |
