ZCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C1 | C8 | sing | 1.46Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.38Å | 1.33Å | Aromatic |
| N1 | C7 | sing | 1.37Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | O1 | sing | 1.43Å | 1.49Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| O1 | H1O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.3° | 119.9° |
| C2 | C1 | C8 | 134.8° | 134.0° |
| C1 | C2 | C3 | 121.3° | 119.8° |
| C1 | C2 | H21 | 119.3° | 120.1° |
| C6 | C1 | C8 | 106.9° | 106.1° |
| C1 | C6 | C5 | 120.8° | 119.3° |
| C1 | C6 | N1 | 107.0° | 107.1° |
| C1 | C8 | C7 | 106.5° | 107.0° |
| C1 | C8 | C9 | 129.8° | 126.5° |
| C2 | C3 | C4 | 120.0° | 120.5° |
| C3 | C2 | H21 | 119.3° | 120.1° |
| C2 | C3 | H31 | 120.0° | 119.8° |
| C3 | C4 | C5 | 119.1° | 120.7° |
| C4 | C3 | H31 | 120.0° | 119.7° |
| C3 | C4 | H41 | 120.5° | 119.6° |
| C4 | C5 | C6 | 120.5° | 119.8° |
| C5 | C4 | H41 | 120.5° | 119.7° |
| C4 | C5 | H51 | 119.7° | 120.1° |
| C5 | C6 | N1 | 132.2° | 133.5° |
| C6 | C5 | H51 | 119.7° | 120.1° |
| C6 | N1 | C7 | 109.4° | 109.9° |
| C6 | N1 | H11N | 125.3° | 125.0° |
| N1 | C7 | C8 | 110.1° | 110.0° |
| C7 | N1 | H11N | 125.3° | 125.1° |
| N1 | C7 | H71 | 124.9° | 125.0° |
| C7 | C8 | C9 | 123.7° | 126.5° |
| C8 | C7 | H71 | 124.9° | 125.0° |
| C8 | C9 | C10 | 112.5° | 109.4° |
| C8 | C9 | H91 | 108.7° | 109.4° |
| C8 | C9 | H92 | 108.7° | 109.5° |
| C9 | C10 | O1 | 110.9° | 109.5° |
| C10 | C9 | H91 | 108.7° | 109.5° |
| C10 | C9 | H92 | 108.7° | 109.5° |
| C9 | C10 | H101 | 109.1° | 109.4° |
| C9 | C10 | H102 | 109.1° | 109.5° |
| O1 | C10 | H101 | 109.1° | 109.4° |
| O1 | C10 | H102 | 109.1° | 109.5° |
| C10 | O1 | H1O | 109.5° | 114.0° |
| H91 | C9 | H92 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C8 | 179.9° | 179.8° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | N1 | 179.6° | 180.0° |
| C2 | C1 | C8 | C7 | 179.7° | 179.9° |
| C2 | C1 | C8 | C9 | 0.1° | 0.1° |
| C1 | C2 | C3 | H31 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | N1 | 179.5° | 180.0° |
| C1 | C6 | N1 | C7 | 0.9° | 0.0° |
| C6 | C1 | C8 | C7 | 0.2° | 0.3° |
| C6 | C1 | C8 | C9 | 180.0° | 179.7° |
| C6 | C1 | C2 | H21 | 179.8° | 180.0° |
| C1 | C6 | C5 | H51 | 179.8° | 180.0° |
| C1 | C6 | N1 | H11N | 179.1° | 180.0° |
| C8 | C1 | C2 | C3 | 179.9° | 179.7° |
| C8 | C1 | C6 | C5 | 179.9° | 179.8° |
| C8 | C1 | C6 | N1 | 0.5° | 0.2° |
| C1 | C8 | C7 | N1 | 0.8° | 0.3° |
| C1 | C8 | C7 | C9 | 179.8° | 180.0° |
| C1 | C8 | C9 | C10 | 86.6° | 85.1° |
| C8 | C1 | C2 | H21 | 0.1° | 0.3° |
| C1 | C8 | C7 | H71 | 179.2° | 179.9° |
| C1 | C8 | C9 | H91 | 33.9° | 155.0° |
| C1 | C8 | C9 | H92 | 152.9° | 34.9° |
| C2 | C3 | C4 | H31 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C2 | H21 | 179.8° | 180.0° |
| C3 | C4 | C5 | H51 | 179.8° | 180.0° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 179.3° | 180.0° |
| C5 | C4 | C3 | H31 | 180.0° | 179.9° |
| C5 | C6 | N1 | C7 | 179.5° | 180.0° |
| C6 | C5 | C4 | H41 | 179.8° | 179.9° |
| C5 | C6 | N1 | H11N | 0.5° | 0.0° |
| C6 | N1 | C7 | H11N | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 1.1° | 0.2° |
| N1 | C6 | C5 | H51 | 0.7° | 0.0° |
| C6 | N1 | C7 | H71 | 178.9° | 180.0° |
| N1 | C7 | C8 | H71 | 180.0° | 179.8° |
| N1 | C7 | C8 | C9 | 179.4° | 179.7° |
| C7 | C8 | C9 | C10 | 93.6° | 95.0° |
| C8 | C7 | N1 | H11N | 178.9° | 179.8° |
| C7 | C8 | C9 | H91 | 145.9° | 25.0° |
| C7 | C8 | C9 | H92 | 26.9° | 145.0° |
| C8 | C9 | C10 | H91 | 120.5° | 120.0° |
| C8 | C9 | C10 | H92 | 120.5° | 120.0° |
| C8 | C9 | C10 | O1 | 19.4° | 180.0° |
| C9 | C8 | C7 | H71 | 0.6° | 0.1° |
| C8 | C9 | H91 | H92 | 118.6° | 120.0° |
| C8 | C9 | C10 | H101 | 139.6° | 60.1° |
| C8 | C9 | C10 | H102 | 100.8° | 60.0° |
| C9 | C10 | O1 | H101 | 120.2° | 119.9° |
| C9 | C10 | O1 | H102 | 120.2° | 120.0° |
| C10 | C9 | H91 | H92 | 118.6° | 120.1° |
| C9 | C10 | H101 | H102 | 119.3° | 120.0° |
| C9 | C10 | O1 | H1O | 180.0° | 180.0° |
| O1 | C10 | C9 | H91 | 101.1° | 60.1° |
| O1 | C10 | C9 | H92 | 139.9° | 60.0° |
| O1 | C10 | H101 | H102 | 119.4° | 120.0° |
| H21 | C2 | C3 | H31 | 0.2° | 0.1° |
| H31 | C3 | C4 | H41 | 0.0° | 0.0° |
| H41 | C4 | C5 | H51 | 0.2° | 0.1° |
| H11N | N1 | C7 | H71 | 1.1° | 0.0° |
| H91 | C9 | C10 | H101 | 19.1° | 180.0° |
| H91 | C9 | C10 | H102 | 138.7° | 59.9° |
| H92 | C9 | C10 | H101 | 99.9° | 59.9° |
| H92 | C9 | C10 | H102 | 19.6° | 180.0° |
| H101 | C10 | O1 | H1O | 59.8° | 60.1° |
| H102 | C10 | O1 | H1O | 59.8° | 60.0° |
