7LQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C7 | C1 | sing | 1.50Å | 1.50Å | |
| C1 | C2 | doub | 1.29Å | 1.35Å | |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | O6 | 110.8° | 109.5° |
| C6 | C5 | C7 | 109.5° | 109.6° |
| C6 | C5 | C4 | 115.2° | 109.7° |
| C6 | C5 | H9 | 107.1° | 109.8° |
| C5 | C6 | H10 | 109.1° | 109.4° |
| C5 | C6 | H11 | 109.1° | 109.4° |
| O6 | C6 | H10 | 109.2° | 109.4° |
| O6 | C6 | H11 | 109.1° | 109.5° |
| C6 | O6 | H12 | 109.5° | 114.0° |
| C7 | C5 | C4 | 110.2° | 108.5° |
| C5 | C7 | C1 | 114.6° | 110.2° |
| C5 | C7 | H7 | 108.2° | 109.4° |
| C5 | C7 | H8 | 108.2° | 109.2° |
| C7 | C5 | H9 | 107.5° | 109.6° |
| C5 | C4 | O4 | 111.0° | 109.7° |
| C5 | C4 | C3 | 110.9° | 108.5° |
| C5 | C4 | H2 | 108.8° | 109.8° |
| C4 | C5 | H9 | 107.0° | 109.6° |
| C7 | C1 | C2 | 122.0° | 124.0° |
| C7 | C1 | H6 | 119.0° | 118.0° |
| C1 | C7 | H7 | 108.2° | 109.4° |
| C1 | C7 | H8 | 108.2° | 109.4° |
| C1 | C2 | C3 | 123.3° | 124.1° |
| C1 | C2 | H5 | 118.4° | 117.9° |
| C2 | C1 | H6 | 119.0° | 118.0° |
| O4 | C4 | C3 | 106.7° | 109.6° |
| C4 | O4 | H1 | 109.5° | 114.0° |
| O4 | C4 | H2 | 110.2° | 109.6° |
| C4 | C3 | C2 | 112.1° | 110.1° |
| C4 | C3 | O3 | 109.4° | 109.4° |
| C3 | C4 | H2 | 109.1° | 109.6° |
| C4 | C3 | H3 | 107.9° | 109.4° |
| C2 | C3 | O3 | 110.6° | 109.3° |
| C2 | C3 | H3 | 108.0° | 109.2° |
| C3 | C2 | H5 | 118.3° | 118.0° |
| O3 | C3 | H3 | 108.8° | 109.4° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| H7 | C7 | H8 | 109.5° | 109.3° |
| H10 | C6 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | O6 | H10 | 120.2° | 120.0° |
| C5 | C6 | O6 | H11 | 120.2° | 120.0° |
| C6 | C5 | C7 | C4 | 127.7° | 119.7° |
| C6 | C5 | C7 | H9 | 116.0° | 120.6° |
| C6 | C5 | C4 | H9 | 118.9° | 120.7° |
| C6 | C5 | C7 | C1 | 171.7° | 169.1° |
| C6 | C5 | C4 | O4 | 57.0° | 53.2° |
| C6 | C5 | C4 | C3 | 175.5° | 172.9° |
| C6 | C5 | C4 | H2 | 64.5° | 67.3° |
| C6 | C5 | C7 | H7 | 67.6° | 48.9° |
| C6 | C5 | C7 | H8 | 51.0° | 70.7° |
| C5 | C6 | H10 | H11 | 119.4° | 120.0° |
| C5 | C6 | O6 | H12 | 180.0° | 180.0° |
| O6 | C6 | C5 | C7 | 60.8° | 65.0° |
| O6 | C6 | C5 | C4 | 64.1° | 176.0° |
| O6 | C6 | C5 | H9 | 177.1° | 55.4° |
| O6 | C6 | H10 | H11 | 119.4° | 120.0° |
| C7 | C5 | C4 | H9 | 116.6° | 119.6° |
| C5 | C7 | C1 | H7 | 120.8° | 120.2° |
| C5 | C7 | C1 | H8 | 120.7° | 120.1° |
| C5 | C7 | C1 | C2 | 14.4° | 17.1° |
| C7 | C5 | C4 | O4 | 178.5° | 172.9° |
| C7 | C5 | C4 | C3 | 60.0° | 67.4° |
| C7 | C5 | C4 | H2 | 60.0° | 52.4° |
| C5 | C7 | C1 | H6 | 165.6° | 162.9° |
| C5 | C7 | H7 | H8 | 117.7° | 119.6° |
| C7 | C5 | C6 | H10 | 59.4° | 175.0° |
| C7 | C5 | C6 | H11 | 179.0° | 55.0° |
| C4 | C5 | C7 | C1 | 44.0° | 49.4° |
| C5 | C4 | O4 | C3 | 121.0° | 119.0° |
| C5 | C4 | O4 | H2 | 120.6° | 120.6° |
| C5 | C4 | C3 | H2 | 119.9° | 119.9° |
| C5 | C4 | C3 | C2 | 44.7° | 49.4° |
| C5 | C4 | C3 | O3 | 167.7° | 169.6° |
| C5 | C4 | O4 | H1 | 180.0° | 178.9° |
| C5 | C4 | C3 | H3 | 74.1° | 70.6° |
| C4 | C5 | C7 | H7 | 164.8° | 70.8° |
| C4 | C5 | C7 | H8 | 76.7° | 169.5° |
| C4 | C5 | C6 | H10 | 175.7° | 56.0° |
| C4 | C5 | C6 | H11 | 56.1° | 63.9° |
| C7 | C1 | C2 | H6 | 180.0° | 180.0° |
| C7 | C1 | C2 | C3 | 1.0° | 0.4° |
| C7 | C1 | C2 | H5 | 179.0° | 179.5° |
| C1 | C7 | H7 | H8 | 117.7° | 119.7° |
| C1 | C7 | C5 | H9 | 72.3° | 70.3° |
| C1 | C2 | C3 | C4 | 15.0° | 17.1° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 137.4° | 137.3° |
| C1 | C2 | C3 | H3 | 103.7° | 103.0° |
| C2 | C1 | C7 | H7 | 135.2° | 103.1° |
| C2 | C1 | C7 | H8 | 106.3° | 137.2° |
| O4 | C4 | C3 | H2 | 119.1° | 120.3° |
| O4 | C4 | C3 | C2 | 165.7° | 169.2° |
| O4 | C4 | C3 | O3 | 71.3° | 70.7° |
| O4 | C4 | C3 | H3 | 46.9° | 49.1° |
| O4 | C4 | C5 | H9 | 61.9° | 67.5° |
| C4 | C3 | C2 | O3 | 122.3° | 120.2° |
| C4 | C3 | C2 | H3 | 118.7° | 120.1° |
| C4 | C3 | O3 | H3 | 117.7° | 119.8° |
| C3 | C4 | O4 | H1 | 59.1° | 60.0° |
| C4 | C3 | O3 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H5 | 165.0° | 162.9° |
| C3 | C4 | C5 | H9 | 56.6° | 52.2° |
| C2 | C3 | O3 | H3 | 118.4° | 119.6° |
| C2 | C3 | C4 | H2 | 75.2° | 70.5° |
| C2 | C3 | O3 | H4 | 56.1° | 59.3° |
| C3 | C2 | C1 | H6 | 179.0° | 179.5° |
| O3 | C3 | C4 | H2 | 47.8° | 49.7° |
| O3 | C3 | C2 | H5 | 42.6° | 42.6° |
| H1 | O4 | C4 | H2 | 59.3° | 60.4° |
| H2 | C4 | C3 | H3 | 166.0° | 169.4° |
| H2 | C4 | C5 | H9 | 176.6° | 172.0° |
| H3 | C3 | O3 | H4 | 62.3° | 60.2° |
| H3 | C3 | C2 | H5 | 76.3° | 77.0° |
| H5 | C2 | C1 | H6 | 1.0° | 0.5° |
| H6 | C1 | C7 | H7 | 44.9° | 76.9° |
| H6 | C1 | C7 | H8 | 73.7° | 42.8° |
| H7 | C7 | C5 | H9 | 48.5° | 169.5° |
| H8 | C7 | C5 | H9 | 167.0° | 49.9° |
| H9 | C5 | C6 | H10 | 56.9° | 64.5° |
| H9 | C5 | C6 | H11 | 62.7° | 175.5° |
| H10 | C6 | O6 | H12 | 59.8° | 60.1° |
| H11 | C6 | O6 | H12 | 59.8° | 60.0° |
