ZUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.52Å | 1.51Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C5 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C1 | 118.2° | 120.0° |
| O1 | C2 | N1 | 121.7° | 120.0° |
| C1 | C2 | N1 | 120.1° | 120.0° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | N1 | C11 | 119.9° | 119.8° |
| C2 | N1 | C3 | 123.8° | 119.8° |
| C11 | N1 | C3 | 116.2° | 120.3° |
| N1 | C11 | C10 | 114.7° | 108.7° |
| N1 | C11 | H12 | 108.2° | 109.5° |
| N1 | C11 | H13 | 108.1° | 109.6° |
| N1 | C3 | C4 | 112.4° | 111.2° |
| N1 | C3 | H9 | 108.7° | 109.1° |
| N1 | C3 | H10 | 108.7° | 109.1° |
| C11 | C10 | C9 | 118.5° | 120.6° |
| C11 | C10 | C5 | 123.8° | 118.8° |
| C10 | C11 | H12 | 108.1° | 109.7° |
| C10 | C11 | H13 | 108.1° | 109.6° |
| C3 | C4 | O2 | 106.4° | 110.2° |
| C3 | C4 | H1 | 110.2° | 109.4° |
| C3 | C4 | H2 | 110.2° | 109.4° |
| C4 | C3 | H9 | 108.7° | 109.2° |
| C4 | C3 | H10 | 108.7° | 109.1° |
| C4 | O2 | C5 | 122.9° | 115.9° |
| O2 | C4 | H1 | 110.2° | 109.3° |
| O2 | C4 | H2 | 110.3° | 109.3° |
| C9 | C10 | C5 | 117.5° | 120.6° |
| C10 | C9 | C8 | 122.2° | 119.7° |
| C10 | C9 | H11 | 118.9° | 120.2° |
| C10 | C5 | O2 | 119.4° | 120.0° |
| C10 | C5 | C6 | 119.8° | 119.5° |
| C9 | C8 | C7 | 119.3° | 120.1° |
| C9 | C8 | H5 | 120.4° | 119.9° |
| C8 | C9 | H11 | 118.9° | 120.2° |
| O2 | C5 | C6 | 119.7° | 120.4° |
| C5 | C6 | C7 | 120.7° | 119.8° |
| C5 | C6 | H3 | 119.6° | 120.0° |
| C8 | C7 | C6 | 120.3° | 120.3° |
| C8 | C7 | H4 | 119.9° | 119.9° |
| C7 | C8 | H5 | 120.4° | 120.0° |
| C7 | C6 | H3 | 119.6° | 120.1° |
| C6 | C7 | H4 | 119.9° | 119.8° |
| H1 | C4 | H2 | 109.5° | 109.2° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.1° |
| H12 | C11 | H13 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C1 | N1 | 177.3° | 180.0° |
| O1 | C2 | N1 | C11 | 0.7° | 175.7° |
| O1 | C2 | N1 | C3 | 175.6° | 4.0° |
| O1 | C2 | C1 | H6 | 0.0° | 174.5° |
| O1 | C2 | C1 | H7 | 120.0° | 54.5° |
| O1 | C2 | C1 | H8 | 120.0° | 65.5° |
| C1 | C2 | N1 | C11 | 176.6° | 4.3° |
| C1 | C2 | N1 | C3 | 1.6° | 176.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | N1 | C11 | C3 | 175.4° | 179.7° |
| C2 | N1 | C11 | C10 | 111.6° | 99.7° |
| C2 | N1 | C3 | C4 | 176.3° | 116.3° |
| N1 | C2 | C1 | H6 | 177.3° | 5.5° |
| N1 | C2 | C1 | H7 | 62.6° | 125.5° |
| N1 | C2 | C1 | H8 | 57.4° | 114.5° |
| C2 | N1 | C3 | H9 | 63.2° | 123.2° |
| C2 | N1 | C3 | H10 | 55.9° | 4.1° |
| C2 | N1 | C11 | H12 | 9.2° | 20.1° |
| C2 | N1 | C11 | H13 | 127.7° | 140.5° |
| N1 | C11 | C10 | H12 | 120.8° | 119.8° |
| N1 | C11 | C10 | H13 | 120.8° | 119.7° |
| C11 | N1 | C3 | C4 | 8.5° | 63.4° |
| N1 | C11 | C10 | C9 | 130.6° | 115.7° |
| N1 | C11 | C10 | C5 | 54.6° | 66.2° |
| C11 | N1 | C3 | H9 | 111.9° | 57.1° |
| C11 | N1 | C3 | H10 | 129.0° | 176.2° |
| N1 | C11 | H12 | H13 | 117.6° | 120.3° |
| C3 | N1 | C11 | C10 | 73.1° | 80.0° |
| N1 | C3 | C4 | H9 | 120.4° | 120.5° |
| N1 | C3 | C4 | H10 | 120.5° | 120.4° |
| N1 | C3 | C4 | O2 | 71.3° | 61.6° |
| N1 | C3 | C4 | H1 | 48.2° | 178.2° |
| N1 | C3 | C4 | H2 | 169.1° | 58.6° |
| N1 | C3 | H9 | H10 | 118.7° | 119.1° |
| C3 | N1 | C11 | H12 | 166.2° | 160.2° |
| C3 | N1 | C11 | H13 | 47.7° | 39.8° |
| C11 | C10 | C9 | C5 | 175.0° | 178.1° |
| C11 | C10 | C9 | C8 | 177.7° | 176.5° |
| C11 | C10 | C5 | O2 | 11.2° | 6.6° |
| C11 | C10 | C5 | C6 | 179.2° | 175.8° |
| C11 | C10 | C9 | H11 | 2.3° | 3.5° |
| C10 | C11 | H12 | H13 | 117.6° | 120.4° |
| C3 | C4 | O2 | H1 | 119.5° | 120.2° |
| C3 | C4 | O2 | H2 | 119.5° | 120.3° |
| C3 | C4 | O2 | C5 | 88.2° | 89.5° |
| C3 | C4 | H1 | H2 | 121.4° | 119.7° |
| C4 | C3 | H9 | H10 | 118.6° | 119.1° |
| C4 | O2 | C5 | C10 | 32.2° | 69.3° |
| C4 | O2 | C5 | C6 | 159.8° | 108.3° |
| O2 | C4 | H1 | H2 | 121.5° | 119.5° |
| O2 | C4 | C3 | H9 | 168.2° | 58.9° |
| O2 | C4 | C3 | H10 | 49.1° | 178.1° |
| C10 | C9 | C8 | H11 | 180.0° | 180.0° |
| C9 | C10 | C5 | O2 | 174.1° | 175.2° |
| C9 | C10 | C5 | C6 | 6.1° | 2.3° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | H5 | 179.7° | 179.9° |
| C9 | C10 | C11 | H12 | 9.9° | 4.1° |
| C9 | C10 | C11 | H13 | 108.6° | 124.6° |
| C5 | C10 | C9 | C8 | 2.7° | 1.6° |
| C10 | C5 | O2 | C6 | 168.0° | 177.5° |
| C10 | C5 | C6 | C7 | 6.6° | 1.5° |
| C10 | C5 | C6 | H3 | 173.4° | 178.4° |
| C5 | C10 | C9 | H11 | 177.3° | 178.4° |
| C5 | C10 | C11 | H12 | 175.4° | 174.0° |
| C5 | C10 | C11 | H13 | 66.1° | 53.5° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.8° |
| C9 | C8 | C7 | H4 | 179.9° | 179.3° |
| O2 | C5 | C6 | C7 | 174.6° | 176.0° |
| C5 | O2 | C4 | H1 | 31.3° | 150.3° |
| C5 | O2 | C4 | H2 | 152.3° | 30.8° |
| O2 | C5 | C6 | H3 | 5.4° | 4.0° |
| C5 | C6 | C7 | C8 | 3.6° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | H4 | 176.4° | 179.9° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | H3 | 176.4° | 180.0° |
| C7 | C8 | C9 | H11 | 179.7° | 180.0° |
| C6 | C7 | C8 | H5 | 179.9° | 179.1° |
| H1 | C4 | C3 | H9 | 72.3° | 61.3° |
| H1 | C4 | C3 | H10 | 168.7° | 57.9° |
| H2 | C4 | C3 | H9 | 48.7° | 179.1° |
| H2 | C4 | C3 | H10 | 70.4° | 61.7° |
| H3 | C6 | C7 | H4 | 3.6° | 0.1° |
| H4 | C7 | C8 | H5 | 0.1° | 0.8° |
| H5 | C8 | C9 | H11 | 0.3° | 0.1° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
