ZLX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| C10 | O3 | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.43Å | Aromatic |
| O3 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| C | O | sing | 1.45Å | 1.36Å | |
| O | C1 | sing | 1.34Å | 1.31Å | |
| C8 | C7 | doub | 1.37Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C2 | N | sing | 1.47Å | 1.42Å | |
| C2 | C3 | sing | 1.54Å | 1.57Å | |
| C6 | N | sing | 1.35Å | 1.37Å | |
| C6 | O2 | doub | 1.22Å | 1.22Å | |
| N | C5 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.55Å | 1.56Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.39Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | O3 | 110.3° | 108.7° |
| C10 | C9 | C8 | 106.6° | 107.2° |
| C9 | C10 | H5 | 124.9° | 125.6° |
| C10 | C9 | H12 | 126.7° | 126.4° |
| C10 | O3 | C7 | 106.5° | 109.4° |
| O3 | C10 | H5 | 124.9° | 125.6° |
| C9 | C8 | C7 | 106.7° | 106.7° |
| C9 | C8 | H4 | 126.6° | 126.7° |
| C8 | C9 | H12 | 126.7° | 126.4° |
| O3 | C7 | C8 | 109.9° | 108.0° |
| O3 | C7 | C6 | 120.6° | 125.9° |
| C | O | C1 | 113.0° | 116.9° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.5° |
| O | C | H8 | 109.5° | 109.4° |
| O | C1 | C2 | 110.9° | 120.0° |
| O | C1 | O1 | 120.2° | 120.0° |
| C8 | C7 | C6 | 129.5° | 126.0° |
| C7 | C8 | H4 | 126.6° | 126.6° |
| C7 | C6 | N | 125.3° | 120.0° |
| C7 | C6 | O2 | 120.8° | 119.9° |
| C2 | C1 | O1 | 128.9° | 120.0° |
| C1 | C2 | N | 103.9° | 109.9° |
| C1 | C2 | C3 | 110.0° | 109.9° |
| C1 | C2 | H9 | 114.4° | 109.9° |
| N | C2 | C3 | 98.1° | 107.3° |
| C2 | N | C6 | 131.4° | 125.7° |
| C2 | N | C5 | 105.9° | 108.7° |
| N | C2 | H9 | 115.8° | 109.9° |
| C2 | C3 | C4 | 104.9° | 102.9° |
| C3 | C2 | H9 | 113.1° | 109.9° |
| C2 | C3 | H10 | 110.6° | 110.7° |
| C2 | C3 | H11 | 110.6° | 110.7° |
| N | C6 | O2 | 113.8° | 120.0° |
| C6 | N | C5 | 122.3° | 125.6° |
| N | C5 | C4 | 98.1° | 104.8° |
| N | C5 | H2 | 112.2° | 110.3° |
| N | C5 | H3 | 112.2° | 110.5° |
| C3 | C4 | C5 | 102.2° | 101.6° |
| C3 | C4 | O4 | 115.4° | 111.0° |
| C3 | C4 | H1 | 108.4° | 111.0° |
| C4 | C3 | H10 | 110.6° | 110.8° |
| C4 | C3 | H11 | 110.6° | 110.7° |
| C5 | C4 | O4 | 111.1° | 111.0° |
| C5 | C4 | H1 | 108.5° | 111.0° |
| C4 | C5 | H2 | 112.2° | 110.3° |
| C4 | C5 | H3 | 112.2° | 110.4° |
| O4 | C4 | H1 | 110.7° | 110.9° |
| C4 | O4 | H13 | 109.5° | 114.0° |
| H2 | C5 | H3 | 109.5° | 110.3° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.4° | 109.4° |
| H10 | C3 | H11 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | O3 | H5 | 180.0° | 179.8° |
| C10 | C9 | C8 | H12 | 180.0° | 179.7° |
| C9 | C10 | O3 | C7 | 0.5° | 0.4° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C10 | C9 | C8 | H4 | 179.8° | 180.0° |
| O3 | C10 | C9 | C8 | 0.2° | 0.2° |
| C10 | O3 | C7 | C8 | 0.6° | 0.4° |
| C10 | O3 | C7 | C6 | 177.5° | 179.9° |
| O3 | C10 | C9 | H12 | 179.8° | 180.0° |
| C9 | C8 | C7 | O3 | 0.5° | 0.2° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 177.4° | 180.0° |
| C8 | C9 | C10 | H5 | 179.8° | 180.0° |
| O3 | C7 | C8 | C6 | 178.0° | 179.8° |
| O3 | C7 | C6 | N | 1.4° | 0.3° |
| O3 | C7 | C6 | O2 | 175.2° | 179.7° |
| O3 | C7 | C8 | H4 | 179.5° | 179.8° |
| C7 | O3 | C10 | H5 | 179.5° | 179.8° |
| C | O | C1 | C2 | 178.2° | 180.0° |
| C | O | C1 | O1 | 0.4° | 0.0° |
| O | C | H6 | H7 | 120.0° | 120.1° |
| O | C | H6 | H8 | 120.0° | 120.0° |
| O | C | H7 | H8 | 120.0° | 119.9° |
| O | C1 | C2 | O1 | 178.4° | 180.0° |
| O | C1 | C2 | N | 68.6° | 161.4° |
| O | C1 | C2 | C3 | 172.7° | 80.8° |
| C1 | O | C | H6 | 180.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.1° |
| C1 | O | C | H8 | 60.0° | 180.0° |
| O | C1 | C2 | H9 | 58.7° | 40.4° |
| C8 | C7 | C6 | N | 179.2° | 180.0° |
| C8 | C7 | C6 | O2 | 2.6° | 0.0° |
| C7 | C8 | C9 | H12 | 179.8° | 179.7° |
| C7 | C6 | N | C2 | 9.5° | 180.0° |
| C7 | C6 | N | O2 | 176.8° | 180.0° |
| C7 | C6 | N | C5 | 179.1° | 0.0° |
| C6 | C7 | C8 | H4 | 2.6° | 0.1° |
| C1 | C2 | N | C3 | 113.0° | 119.4° |
| C1 | C2 | N | H9 | 126.4° | 121.1° |
| C1 | C2 | C3 | H9 | 129.3° | 121.1° |
| C1 | C2 | N | C6 | 126.7° | 61.7° |
| C1 | C2 | N | C5 | 60.9° | 118.3° |
| C1 | C2 | C3 | C4 | 81.4° | 141.6° |
| C1 | C2 | C3 | H10 | 37.9° | 100.0° |
| C1 | C2 | C3 | H11 | 159.3° | 23.2° |
| O1 | C1 | C2 | N | 109.9° | 18.5° |
| O1 | C1 | C2 | C3 | 5.7° | 99.3° |
| O1 | C1 | C2 | H9 | 122.9° | 139.6° |
| N | C2 | C3 | H9 | 122.6° | 119.5° |
| C2 | N | C6 | C5 | 171.3° | 180.0° |
| C2 | N | C6 | O2 | 167.2° | 0.0° |
| N | C2 | C3 | C4 | 26.7° | 22.1° |
| C2 | N | C5 | C4 | 56.2° | 24.1° |
| C2 | N | C5 | H2 | 174.3° | 94.7° |
| C2 | N | C5 | H3 | 61.9° | 143.0° |
| N | C2 | C3 | H10 | 145.9° | 140.5° |
| N | C2 | C3 | H11 | 92.6° | 96.2° |
| C3 | C2 | N | C6 | 120.2° | 178.9° |
| C3 | C2 | N | C5 | 52.1° | 1.1° |
| C2 | C3 | C4 | H10 | 119.3° | 118.4° |
| C2 | C3 | C4 | H11 | 119.3° | 118.4° |
| C2 | C3 | C4 | C5 | 4.9° | 35.4° |
| C2 | C3 | C4 | O4 | 125.6° | 153.6° |
| C2 | C3 | C4 | H1 | 109.6° | 82.7° |
| C2 | C3 | H10 | H11 | 122.1° | 123.3° |
| C6 | N | C5 | C4 | 117.1° | 155.9° |
| C6 | N | C5 | H2 | 1.0° | 85.3° |
| C6 | N | C5 | H3 | 124.8° | 36.9° |
| C6 | N | C2 | H9 | 0.4° | 59.4° |
| O2 | C6 | N | C5 | 4.1° | 180.0° |
| N | C5 | C4 | C3 | 33.6° | 37.0° |
| N | C5 | C4 | H2 | 118.1° | 118.8° |
| N | C5 | C4 | H3 | 118.1° | 119.0° |
| N | C5 | C4 | O4 | 157.3° | 155.1° |
| N | C5 | C4 | H1 | 80.8° | 81.1° |
| N | C5 | H2 | H3 | 125.3° | 122.3° |
| C5 | N | C2 | H9 | 172.8° | 120.6° |
| C3 | C4 | C5 | O4 | 123.6° | 118.1° |
| C3 | C4 | C5 | H1 | 114.4° | 118.1° |
| C3 | C4 | O4 | H1 | 123.6° | 123.8° |
| C3 | C4 | C5 | H2 | 151.7° | 81.9° |
| C3 | C4 | C5 | H3 | 84.5° | 156.0° |
| C4 | C3 | C2 | H9 | 149.3° | 97.3° |
| C4 | C3 | H10 | H11 | 122.1° | 123.2° |
| C3 | C4 | O4 | H13 | 180.0° | 176.8° |
| C5 | C4 | O4 | H1 | 120.6° | 123.9° |
| C4 | C5 | H2 | H3 | 125.3° | 122.3° |
| C5 | C4 | C3 | H10 | 114.4° | 153.8° |
| C5 | C4 | C3 | H11 | 124.2° | 82.9° |
| C5 | C4 | O4 | H13 | 64.3° | 64.6° |
| O4 | C4 | C5 | H2 | 84.6° | 36.2° |
| O4 | C4 | C5 | H3 | 39.2° | 85.9° |
| O4 | C4 | C3 | H10 | 6.3° | 88.1° |
| O4 | C4 | C3 | H11 | 115.1° | 35.2° |
| H1 | C4 | C5 | H2 | 37.3° | 160.0° |
| H1 | C4 | C5 | H3 | 161.1° | 37.9° |
| H1 | C4 | C3 | H10 | 131.1° | 35.7° |
| H1 | C4 | C3 | H11 | 9.7° | 159.0° |
| H1 | C4 | O4 | H13 | 56.4° | 59.3° |
| H4 | C8 | C9 | H12 | 0.2° | 0.2° |
| H5 | C10 | C9 | H12 | 0.2° | 0.2° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H9 | C2 | C3 | H10 | 91.4° | 21.1° |
| H9 | C2 | C3 | H11 | 30.0° | 144.3° |
