ZKW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C11 | sing | 1.35Å | 1.26Å | |
| C11 | O2 | doub | 1.21Å | 1.26Å | |
| C11 | C7 | sing | 1.47Å | 1.54Å | |
| C7 | C8 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | N | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.53Å | |
| C9 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | O1 | sing | 1.35Å | 1.26Å | |
| C10 | O | doub | 1.21Å | 1.26Å | |
| N1 | N | sing | 1.29Å | 1.37Å | Aromatic |
| N | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | CL1 | sing | 1.74Å | 1.73Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | CL | sing | 1.74Å | 1.74Å | |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C11 | O2 | 125.1° | 120.0° |
| O3 | C11 | C7 | 115.9° | 120.0° |
| C11 | O3 | H3 | 109.5° | 117.1° |
| O2 | C11 | C7 | 119.0° | 120.0° |
| C11 | C7 | C8 | 126.3° | 126.6° |
| C11 | C7 | N | 127.2° | 126.6° |
| C8 | C7 | N | 106.5° | 106.7° |
| C7 | C8 | C9 | 105.9° | 105.4° |
| C7 | C8 | H8 | 127.0° | 127.3° |
| C7 | N | N1 | 111.8° | 109.9° |
| C7 | N | C6 | 130.1° | 125.1° |
| C8 | C9 | C10 | 126.5° | 126.2° |
| C8 | C9 | N1 | 111.4° | 107.5° |
| C9 | C8 | H8 | 127.1° | 127.3° |
| C10 | C9 | N1 | 122.1° | 126.3° |
| C9 | C10 | O1 | 117.4° | 120.0° |
| C9 | C10 | O | 116.5° | 120.0° |
| C9 | N1 | N | 104.4° | 110.5° |
| O1 | C10 | O | 126.1° | 120.0° |
| C10 | O1 | H1 | 109.5° | 117.0° |
| N1 | N | C6 | 118.0° | 125.0° |
| N | C6 | C2 | 114.6° | 109.5° |
| N | C6 | H61C | 108.2° | 109.5° |
| N | C6 | H62C | 108.2° | 109.4° |
| C6 | C2 | C1 | 121.7° | 119.9° |
| C6 | C2 | C3 | 121.3° | 120.0° |
| C2 | C6 | H61C | 108.2° | 109.5° |
| C2 | C6 | H62C | 108.2° | 109.5° |
| C1 | C2 | C3 | 117.0° | 120.0° |
| C2 | C1 | C | 121.5° | 120.0° |
| C2 | C1 | HA | 119.2° | 120.0° |
| C2 | C3 | CL1 | 119.7° | 120.0° |
| C2 | C3 | C4 | 122.6° | 120.0° |
| C1 | C | C5 | 119.0° | 120.0° |
| C | C1 | HA | 119.3° | 119.9° |
| C1 | C | H | 120.5° | 120.0° |
| CL1 | C3 | C4 | 117.7° | 120.0° |
| C3 | C4 | C5 | 118.4° | 119.9° |
| C3 | C4 | H4 | 120.8° | 120.1° |
| C4 | C5 | CL | 119.1° | 120.0° |
| C4 | C5 | C | 121.5° | 120.0° |
| C5 | C4 | H4 | 120.8° | 120.0° |
| CL | C5 | C | 119.4° | 120.0° |
| C5 | C | H | 120.5° | 120.0° |
| H61C | C6 | H62C | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C11 | O2 | C7 | 179.1° | 180.0° |
| O3 | C11 | C7 | C8 | 0.8° | 179.7° |
| O3 | C11 | C7 | N | 178.7° | 0.0° |
| O2 | C11 | C7 | C8 | 178.3° | 0.3° |
| O2 | C11 | C7 | N | 2.1° | 180.0° |
| O2 | C11 | O3 | H3 | 0.0° | 5.0° |
| C11 | C7 | C8 | N | 179.6° | 179.7° |
| C11 | C7 | C8 | C9 | 179.4° | 180.0° |
| C11 | C7 | N | N1 | 179.4° | 179.8° |
| C11 | C7 | N | C6 | 3.4° | 0.0° |
| C7 | C11 | O3 | H3 | 179.1° | 175.1° |
| C11 | C7 | C8 | H8 | 0.6° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 178.8° | 180.0° |
| C7 | C8 | C9 | N1 | 0.2° | 0.0° |
| C8 | C7 | N | N1 | 0.2° | 0.4° |
| C8 | C7 | N | C6 | 177.0° | 179.8° |
| N | C7 | C8 | C9 | 0.2° | 0.2° |
| C7 | N | N1 | C9 | 0.1° | 0.5° |
| C7 | N | N1 | C6 | 177.6° | 179.8° |
| C7 | N | C6 | C2 | 89.2° | 96.2° |
| N | C7 | C8 | H8 | 179.8° | 179.7° |
| C7 | N | C6 | H61C | 150.1° | 23.8° |
| C7 | N | C6 | H62C | 31.6° | 143.8° |
| C8 | C9 | C10 | N1 | 178.9° | 180.0° |
| C8 | C9 | C10 | O1 | 158.4° | 180.0° |
| C8 | C9 | C10 | O | 21.7° | 0.0° |
| C8 | C9 | N1 | N | 0.0° | 0.3° |
| C9 | C10 | O1 | O | 179.9° | 180.0° |
| C10 | C9 | N1 | N | 179.0° | 179.7° |
| C10 | C9 | C8 | H8 | 1.2° | 0.0° |
| C9 | C10 | O1 | H1 | 179.9° | 180.0° |
| N1 | C9 | C10 | O1 | 22.7° | 0.0° |
| N1 | C9 | C10 | O | 157.2° | 180.0° |
| C9 | N1 | N | C6 | 177.5° | 179.7° |
| N1 | C9 | C8 | H8 | 179.9° | 180.0° |
| O | C10 | O1 | H1 | 0.0° | 0.0° |
| N1 | N | C6 | C2 | 87.9° | 84.0° |
| N1 | N | C6 | H61C | 32.9° | 155.9° |
| N1 | N | C6 | H62C | 151.4° | 36.0° |
| N | C6 | C2 | H61C | 120.8° | 120.0° |
| N | C6 | C2 | H62C | 120.8° | 120.0° |
| N | C6 | C2 | C1 | 5.8° | 97.9° |
| N | C6 | C2 | C3 | 175.9° | 82.4° |
| N | C6 | H61C | H62C | 117.7° | 119.9° |
| C6 | C2 | C1 | C3 | 178.4° | 179.7° |
| C6 | C2 | C1 | C | 178.9° | 180.0° |
| C6 | C2 | C3 | CL1 | 3.9° | 0.1° |
| C6 | C2 | C3 | C4 | 179.5° | 180.0° |
| C2 | C6 | H61C | H62C | 117.7° | 120.1° |
| C6 | C2 | C1 | HA | 1.2° | 0.1° |
| C2 | C1 | C | HA | 180.0° | 179.9° |
| C1 | C2 | C3 | CL1 | 174.4° | 179.8° |
| C1 | C2 | C3 | C4 | 2.1° | 0.3° |
| C2 | C1 | C | C5 | 0.6° | 0.1° |
| C1 | C2 | C6 | H61C | 115.0° | 22.1° |
| C1 | C2 | C6 | H62C | 126.5° | 142.1° |
| C2 | C1 | C | H | 179.4° | 180.0° |
| C3 | C2 | C1 | C | 0.5° | 0.4° |
| C2 | C3 | CL1 | C4 | 176.7° | 179.9° |
| C2 | C3 | C4 | C5 | 2.5° | 0.1° |
| C3 | C2 | C6 | H61C | 63.3° | 157.6° |
| C3 | C2 | C6 | H62C | 55.2° | 37.5° |
| C3 | C2 | C1 | HA | 179.5° | 179.7° |
| C2 | C3 | C4 | H4 | 177.4° | 180.0° |
| C1 | C | C5 | C4 | 0.1° | 0.1° |
| C1 | C | C5 | CL | 180.0° | 179.9° |
| C1 | C | C5 | H | 180.0° | 179.9° |
| CL1 | C3 | C4 | C5 | 174.0° | 180.0° |
| CL1 | C3 | C4 | H4 | 6.0° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | CL | 178.4° | 180.0° |
| C3 | C4 | C5 | C | 1.4° | 0.1° |
| C4 | C5 | CL | C | 179.9° | 179.8° |
| C4 | C5 | C | H | 179.9° | 179.8° |
| CL | C5 | C | H | 0.1° | 0.0° |
| CL | C5 | C4 | H4 | 1.6° | 0.1° |
| C5 | C | C1 | HA | 179.4° | 179.9° |
| C | C5 | C4 | H4 | 178.6° | 179.7° |
| HA | C1 | C | H | 0.6° | 0.0° |
