LC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | C5 | doub | 1.35Å | 1.34Å | Aromatic |
| O3 | N2 | doub | 1.22Å | 1.22Å | |
| C7 | C8 | doub | 1.35Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| C5 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | N1 | sing | 1.46Å | 1.44Å | |
| N1 | C3 | sing | 1.40Å | 1.40Å | |
| O4 | N2 | sing | 1.22Å | 1.22Å | |
| N2 | C9 | sing | 1.48Å | 1.47Å | |
| C3 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C | S | sing | 1.76Å | 1.80Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| O1 | S | doub | 1.42Å | 1.42Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 106.9° | 106.8° |
| C6 | C7 | C8 | 106.6° | 106.9° |
| C7 | C6 | H3 | 126.5° | 126.6° |
| C6 | C7 | H5 | 126.7° | 126.6° |
| C6 | C5 | C4 | 133.6° | 125.8° |
| C6 | C5 | O2 | 109.7° | 108.4° |
| C5 | C6 | H3 | 126.5° | 126.6° |
| O3 | N2 | O4 | 123.3° | 120.0° |
| O3 | N2 | C9 | 118.1° | 120.0° |
| C7 | C8 | O2 | 110.5° | 108.4° |
| C8 | C7 | H5 | 126.7° | 126.6° |
| C7 | C8 | H6 | 124.7° | 125.8° |
| C4 | C5 | O2 | 116.8° | 125.8° |
| C5 | C4 | N1 | 111.9° | 109.5° |
| C5 | C4 | H1 | 108.9° | 109.5° |
| C5 | C4 | H2 | 108.9° | 109.5° |
| C5 | O2 | C8 | 106.3° | 109.5° |
| C4 | N1 | C3 | 124.4° | 120.0° |
| N1 | C4 | H1 | 108.9° | 109.5° |
| N1 | C4 | H2 | 108.8° | 109.5° |
| C4 | N1 | H4 | 105.6° | 120.0° |
| N1 | C3 | C9 | 122.9° | 120.0° |
| N1 | C3 | C2 | 121.4° | 120.1° |
| C3 | N1 | H4 | 105.6° | 120.0° |
| O4 | N2 | C9 | 118.6° | 120.0° |
| N2 | C9 | C3 | 120.6° | 120.0° |
| N2 | C9 | C10 | 116.6° | 120.1° |
| C9 | C3 | C2 | 115.6° | 119.9° |
| C3 | C9 | C10 | 122.7° | 119.9° |
| C3 | C2 | C1 | 122.9° | 119.9° |
| C3 | C2 | H11 | 118.6° | 120.0° |
| C9 | C10 | C | 118.8° | 120.1° |
| C9 | C10 | H7 | 120.6° | 120.0° |
| O2 | C8 | H6 | 124.7° | 125.8° |
| C2 | C1 | C | 119.3° | 120.1° |
| C2 | C1 | H10 | 120.3° | 119.9° |
| C1 | C2 | H11 | 118.6° | 120.1° |
| C10 | C | C1 | 120.6° | 120.1° |
| C10 | C | S | 121.0° | 119.9° |
| C | C10 | H7 | 120.6° | 119.9° |
| C1 | C | S | 118.3° | 119.9° |
| C | C1 | H10 | 120.3° | 120.0° |
| C | S | N | 107.1° | 107.2° |
| C | S | O1 | 106.5° | 106.4° |
| C | S | O | 105.7° | 106.4° |
| N | S | O1 | 110.0° | 106.4° |
| N | S | O | 109.4° | 106.4° |
| S | N | H8 | 109.5° | 120.1° |
| S | N | H9 | 109.5° | 120.0° |
| O1 | S | O | 117.6° | 123.1° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H8 | N | H9 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 178.1° | 180.0° |
| C7 | C6 | C5 | O2 | 0.3° | 0.2° |
| C6 | C7 | C8 | O2 | 0.0° | 0.3° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C4 | O2 | 178.4° | 179.7° |
| C6 | C5 | C4 | N1 | 117.4° | 90.2° |
| C6 | C5 | O2 | C8 | 0.3° | 0.4° |
| C6 | C5 | C4 | H1 | 3.0° | 149.7° |
| C6 | C5 | C4 | H2 | 122.2° | 29.8° |
| C5 | C6 | C7 | H5 | 179.8° | 180.0° |
| O3 | N2 | O4 | C9 | 177.3° | 180.0° |
| O3 | N2 | C9 | C3 | 6.2° | 37.7° |
| O3 | N2 | C9 | C10 | 176.0° | 142.6° |
| C7 | C8 | O2 | C5 | 0.2° | 0.4° |
| C7 | C8 | O2 | H6 | 180.0° | 179.8° |
| C8 | C7 | C6 | H3 | 179.8° | 180.0° |
| C5 | C4 | N1 | H1 | 120.4° | 120.0° |
| C5 | C4 | N1 | H2 | 120.4° | 120.0° |
| C5 | C4 | N1 | C3 | 148.0° | 179.9° |
| C4 | C5 | O2 | C8 | 178.4° | 179.8° |
| C5 | C4 | H1 | H2 | 118.9° | 119.9° |
| C4 | C5 | C6 | H3 | 1.8° | 0.0° |
| C5 | C4 | N1 | H4 | 25.9° | 0.1° |
| O2 | C5 | C4 | N1 | 64.2° | 90.0° |
| O2 | C5 | C4 | H1 | 175.4° | 30.0° |
| O2 | C5 | C4 | H2 | 56.2° | 149.9° |
| O2 | C5 | C6 | H3 | 179.7° | 179.8° |
| C5 | O2 | C8 | H6 | 179.9° | 179.8° |
| C4 | N1 | C3 | H4 | 122.0° | 179.9° |
| C4 | N1 | C3 | C9 | 172.5° | 173.9° |
| C4 | N1 | C3 | C2 | 6.4° | 5.8° |
| N1 | C4 | H1 | H2 | 118.9° | 120.0° |
| N1 | C3 | C9 | N2 | 6.2° | 0.0° |
| N1 | C3 | C9 | C2 | 178.9° | 179.7° |
| N1 | C3 | C9 | C10 | 176.1° | 179.8° |
| N1 | C3 | C2 | C1 | 177.4° | 179.8° |
| C3 | N1 | C4 | H1 | 91.6° | 59.9° |
| C3 | N1 | C4 | H2 | 27.6° | 60.1° |
| N1 | C3 | C2 | H11 | 2.5° | 0.0° |
| O4 | N2 | C9 | C3 | 171.2° | 142.3° |
| O4 | N2 | C9 | C10 | 6.6° | 37.4° |
| N2 | C9 | C3 | C10 | 177.7° | 179.7° |
| N2 | C9 | C3 | C2 | 174.9° | 179.7° |
| N2 | C9 | C10 | C | 175.9° | 180.0° |
| N2 | C9 | C10 | H7 | 4.1° | 0.0° |
| C9 | C3 | C2 | C1 | 1.5° | 0.5° |
| C3 | C9 | C10 | C | 1.8° | 0.3° |
| C9 | C3 | N1 | H4 | 50.5° | 6.3° |
| C3 | C9 | C10 | H7 | 178.2° | 179.7° |
| C9 | C3 | C2 | H11 | 178.5° | 179.7° |
| C2 | C3 | C9 | C10 | 2.8° | 0.6° |
| C3 | C2 | C1 | H11 | 180.0° | 179.8° |
| C3 | C2 | C1 | C | 0.7° | 0.2° |
| C2 | C3 | N1 | H4 | 128.4° | 174.1° |
| C3 | C2 | C1 | H10 | 179.3° | 179.8° |
| C9 | C10 | C | H7 | 180.0° | 180.0° |
| C9 | C10 | C | C1 | 0.5° | 0.0° |
| C9 | C10 | C | S | 176.6° | 180.0° |
| O2 | C8 | C7 | H5 | 180.0° | 179.8° |
| C2 | C1 | C | C10 | 1.7° | 0.1° |
| C2 | C1 | C | H10 | 180.0° | 180.0° |
| C2 | C1 | C | S | 175.4° | 180.0° |
| C10 | C | C1 | S | 177.2° | 179.9° |
| C10 | C | S | N | 128.4° | 90.0° |
| C10 | C | S | O1 | 10.7° | 156.4° |
| C10 | C | S | O | 115.0° | 23.6° |
| C10 | C | C1 | H10 | 178.3° | 179.9° |
| C1 | C | S | N | 54.5° | 90.1° |
| C1 | C | S | O1 | 172.1° | 23.5° |
| C1 | C | S | O | 62.1° | 156.4° |
| C1 | C | C10 | H7 | 179.5° | 179.9° |
| C | C1 | C2 | H11 | 179.3° | 180.0° |
| C | S | N | O1 | 115.4° | 113.5° |
| C | S | N | O | 114.1° | 113.6° |
| C | S | O1 | O | 118.2° | 122.9° |
| S | C | C10 | H7 | 3.4° | 0.0° |
| C | S | N | H8 | 180.0° | 150.0° |
| C | S | N | H9 | 60.0° | 30.0° |
| S | C | C1 | H10 | 4.6° | 0.0° |
| N | S | O1 | O | 126.1° | 123.0° |
| S | N | H8 | H9 | 120.0° | 180.0° |
| O1 | S | N | H8 | 64.6° | 36.5° |
| O1 | S | N | H9 | 55.4° | 143.5° |
| O | S | N | H8 | 65.9° | 96.4° |
| O | S | N | H9 | 174.0° | 83.6° |
| H1 | C4 | N1 | H4 | 146.3° | 119.9° |
| H2 | C4 | N1 | H4 | 94.4° | 120.1° |
| H3 | C6 | C7 | H5 | 0.2° | 0.0° |
| H5 | C7 | C8 | H6 | 0.1° | 0.0° |
| H10 | C1 | C2 | H11 | 0.7° | 0.0° |
