8RK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C7 | doub | 1.21Å | 1.22Å | |
| C7 | O2 | sing | 1.34Å | 1.31Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| CL | C10 | sing | 1.74Å | 1.74Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N | sing | 1.46Å | 1.47Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N | sing | 1.40Å | 1.40Å | |
| C8 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.35Å | 1.37Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.38Å | |
| C4 | O1 | doub | 1.22Å | 1.21Å | |
| C4 | O | sing | 1.34Å | 1.38Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | O2 | 124.7° | 120.0° |
| O3 | C7 | C6 | 123.7° | 120.0° |
| O2 | C7 | C6 | 111.6° | 120.0° |
| C7 | O2 | H10 | 109.5° | 117.0° |
| C7 | C6 | C5 | 113.5° | 109.5° |
| C7 | C6 | H3 | 108.5° | 109.4° |
| C7 | C6 | H4 | 108.5° | 109.4° |
| CL | C10 | C9 | 118.1° | 119.9° |
| CL | C10 | C1 | 119.1° | 119.9° |
| C6 | C5 | N | 111.0° | 109.5° |
| C6 | C5 | H1 | 109.1° | 109.5° |
| C6 | C5 | H2 | 109.1° | 109.5° |
| C5 | C6 | H3 | 108.5° | 109.5° |
| C5 | C6 | H4 | 108.5° | 109.5° |
| C5 | N | C8 | 126.8° | 126.2° |
| C5 | N | C4 | 122.7° | 126.3° |
| N | C5 | H1 | 109.1° | 109.5° |
| N | C5 | H2 | 109.1° | 109.5° |
| C10 | C9 | C8 | 117.0° | 119.8° |
| C9 | C10 | C1 | 122.8° | 120.2° |
| C10 | C9 | H8 | 121.5° | 120.1° |
| C9 | C8 | N | 132.7° | 133.3° |
| C9 | C8 | C3 | 121.5° | 120.1° |
| C8 | C9 | H8 | 121.5° | 120.1° |
| C10 | C1 | C | 122.6° | 119.9° |
| C10 | C1 | C2 | 117.9° | 120.3° |
| N | C8 | C3 | 105.8° | 106.6° |
| C8 | N | C4 | 109.4° | 107.5° |
| C8 | C3 | C2 | 120.3° | 119.8° |
| C8 | C3 | O | 109.5° | 107.3° |
| N | C4 | O1 | 129.0° | 125.2° |
| N | C4 | O | 108.0° | 109.5° |
| C | C1 | C2 | 119.4° | 119.8° |
| C1 | C | H5 | 109.5° | 109.4° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.4° | 119.9° |
| C1 | C2 | H9 | 119.8° | 120.0° |
| C2 | C3 | O | 130.0° | 132.9° |
| C3 | C2 | H9 | 119.8° | 120.1° |
| C3 | O | C4 | 107.4° | 109.2° |
| O1 | C4 | O | 123.0° | 125.3° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.5° | 109.4° |
| H6 | C | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | O2 | C6 | 179.8° | 179.9° |
| O3 | C7 | C6 | C5 | 8.2° | 0.0° |
| O3 | C7 | C6 | H3 | 112.4° | 119.9° |
| O3 | C7 | C6 | H4 | 128.8° | 120.1° |
| O3 | C7 | O2 | H10 | 0.0° | 0.0° |
| O2 | C7 | C6 | C5 | 172.0° | 180.0° |
| O2 | C7 | C6 | H3 | 67.4° | 60.0° |
| O2 | C7 | C6 | H4 | 51.4° | 60.0° |
| C7 | C6 | C5 | H3 | 120.6° | 120.0° |
| C7 | C6 | C5 | H4 | 120.6° | 120.0° |
| C7 | C6 | C5 | N | 179.9° | 180.0° |
| C7 | C6 | C5 | H1 | 59.6° | 60.0° |
| C7 | C6 | C5 | H2 | 59.9° | 60.0° |
| C7 | C6 | H3 | H4 | 118.2° | 119.9° |
| C6 | C7 | O2 | H10 | 179.8° | 180.0° |
| CL | C10 | C9 | C1 | 179.3° | 180.0° |
| CL | C10 | C9 | C8 | 179.4° | 179.8° |
| CL | C10 | C1 | C | 3.9° | 0.1° |
| CL | C10 | C1 | C2 | 179.6° | 180.0° |
| CL | C10 | C9 | H8 | 0.6° | 0.2° |
| C6 | C5 | N | H1 | 120.2° | 120.0° |
| C6 | C5 | N | H2 | 120.2° | 120.0° |
| C6 | C5 | N | C8 | 86.8° | 90.0° |
| C6 | C5 | N | C4 | 79.9° | 90.0° |
| C6 | C5 | H1 | H2 | 119.3° | 120.0° |
| C5 | C6 | H3 | H4 | 118.2° | 120.1° |
| C5 | N | C8 | C9 | 15.8° | 0.1° |
| C5 | N | C8 | C4 | 168.2° | 179.9° |
| C5 | N | C8 | C3 | 168.1° | 179.8° |
| C5 | N | C4 | O1 | 9.9° | 0.0° |
| C5 | N | C4 | O | 169.1° | 179.8° |
| N | C5 | H1 | H2 | 119.3° | 120.0° |
| N | C5 | C6 | H3 | 59.5° | 60.1° |
| N | C5 | C6 | H4 | 59.3° | 60.0° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C10 | C9 | C8 | N | 174.9° | 180.0° |
| C10 | C9 | C8 | C3 | 0.7° | 0.2° |
| C9 | C10 | C1 | C | 175.4° | 180.0° |
| C9 | C10 | C1 | C2 | 1.1° | 0.0° |
| C8 | C9 | C10 | C1 | 0.1° | 0.1° |
| C9 | C8 | N | C3 | 176.1° | 179.8° |
| C9 | C8 | N | C4 | 176.0° | 180.0° |
| C9 | C8 | C3 | C2 | 0.5° | 0.2° |
| C9 | C8 | C3 | O | 176.1° | 179.9° |
| C10 | C1 | C | C2 | 176.5° | 180.0° |
| C10 | C1 | C2 | C3 | 1.2° | 0.1° |
| C10 | C1 | C | H5 | 91.9° | 90.0° |
| C10 | C1 | C | H6 | 148.1° | 150.0° |
| C10 | C1 | C | H7 | 28.1° | 29.9° |
| C1 | C10 | C9 | H8 | 179.9° | 179.9° |
| C10 | C1 | C2 | H9 | 178.8° | 180.0° |
| N | C8 | C3 | C2 | 176.1° | 180.0° |
| N | C8 | C3 | O | 0.5° | 0.1° |
| C8 | N | C4 | O1 | 178.6° | 179.9° |
| C8 | N | C4 | O | 0.3° | 0.3° |
| C8 | N | C5 | H1 | 153.0° | 30.0° |
| C8 | N | C5 | H2 | 33.4° | 150.0° |
| N | C8 | C9 | H8 | 5.1° | 0.1° |
| C3 | C8 | N | C4 | 0.1° | 0.2° |
| C8 | C3 | C2 | C1 | 0.5° | 0.0° |
| C8 | C3 | C2 | O | 174.6° | 180.0° |
| C8 | C3 | O | C4 | 0.7° | 0.1° |
| C3 | C8 | C9 | H8 | 179.3° | 179.8° |
| C8 | C3 | C2 | H9 | 179.6° | 180.0° |
| N | C4 | O | C3 | 0.7° | 0.3° |
| N | C4 | O1 | O | 178.8° | 179.7° |
| C4 | N | C5 | H1 | 40.4° | 150.0° |
| C4 | N | C5 | H2 | 159.9° | 30.0° |
| C | C1 | C2 | C3 | 175.4° | 180.0° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 120.1° |
| C | C1 | C2 | H9 | 4.6° | 0.0° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | O | 174.1° | 180.0° |
| C2 | C1 | C | H5 | 91.7° | 90.0° |
| C2 | C1 | C | H6 | 28.4° | 29.9° |
| C2 | C1 | C | H7 | 148.4° | 150.0° |
| C2 | C3 | O | C4 | 175.8° | 179.8° |
| C3 | O | C4 | O1 | 178.4° | 180.0° |
| O | C3 | C2 | H9 | 5.9° | 0.0° |
| H1 | C5 | C6 | H3 | 179.8° | 59.9° |
| H1 | C5 | C6 | H4 | 60.9° | 180.0° |
| H2 | C5 | C6 | H3 | 60.7° | 180.0° |
| H2 | C5 | C6 | H4 | 179.5° | 60.0° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
