8WQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C6 | doub | 1.21Å | 1.26Å | |
| O3 | C5 | doub | 1.21Å | 1.24Å | |
| C6 | C5 | sing | 1.49Å | 1.55Å | |
| C6 | O4 | sing | 1.35Å | 1.26Å | |
| C5 | C1 | sing | 1.51Å | 1.53Å | |
| O6 | C7 | sing | 1.43Å | 1.43Å | |
| C1 | C7 | sing | 1.55Å | 1.54Å | |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| C7 | C3 | sing | 1.55Å | 1.52Å | |
| N1 | C3 | sing | 1.49Å | 1.47Å | |
| N1 | C2 | sing | 1.48Å | 1.49Å | |
| C2 | C4 | sing | 1.51Å | 1.54Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C4 | O1 | sing | 1.34Å | 1.25Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C6 | C5 | 114.1° | 120.1° |
| O5 | C6 | O4 | 127.1° | 119.9° |
| O3 | C5 | C6 | 120.2° | 120.0° |
| O3 | C5 | C1 | 121.2° | 120.0° |
| C5 | C6 | O4 | 118.7° | 120.0° |
| C6 | C5 | C1 | 118.6° | 120.0° |
| C6 | O4 | H10 | 109.5° | 117.0° |
| C5 | C1 | C7 | 112.1° | 110.3° |
| C5 | C1 | C2 | 108.9° | 110.3° |
| C5 | C1 | H1 | 111.3° | 110.4° |
| O6 | C7 | C1 | 116.4° | 110.7° |
| O6 | C7 | C3 | 111.5° | 110.8° |
| O6 | C7 | H7 | 108.5° | 110.8° |
| C7 | O6 | H8 | 109.5° | 114.0° |
| C7 | C1 | C2 | 101.8° | 105.1° |
| C1 | C7 | C3 | 105.7° | 102.9° |
| C7 | C1 | H1 | 111.2° | 110.3° |
| C1 | C7 | H7 | 107.1° | 110.7° |
| C1 | C2 | N1 | 103.0° | 107.1° |
| C1 | C2 | C4 | 113.0° | 109.9° |
| C1 | C2 | H2 | 109.8° | 109.9° |
| C2 | C1 | H1 | 111.1° | 110.3° |
| C7 | C3 | N1 | 106.8° | 103.4° |
| C7 | C3 | H4 | 110.2° | 110.7° |
| C7 | C3 | H3 | 110.1° | 110.7° |
| C3 | C7 | H7 | 107.3° | 110.7° |
| C3 | N1 | C2 | 108.1° | 105.8° |
| N1 | C3 | H4 | 110.1° | 110.7° |
| N1 | C3 | H3 | 110.1° | 110.6° |
| C3 | N1 | H5 | 109.8° | 110.9° |
| N1 | C2 | C4 | 110.2° | 109.9° |
| N1 | C2 | H2 | 110.7° | 110.1° |
| C2 | N1 | H5 | 109.8° | 111.0° |
| C2 | C4 | O2 | 116.0° | 120.0° |
| C2 | C4 | O1 | 119.0° | 120.0° |
| C4 | C2 | H2 | 110.0° | 109.9° |
| O2 | C4 | O1 | 125.0° | 120.0° |
| C4 | O1 | H9 | 109.5° | 117.0° |
| H4 | C3 | H3 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C6 | C5 | O3 | 2.3° | 180.0° |
| O5 | C6 | C5 | O4 | 177.9° | 179.9° |
| O5 | C6 | C5 | C1 | 176.3° | 0.1° |
| O5 | C6 | O4 | H10 | 0.0° | 0.0° |
| O3 | C5 | C6 | C1 | 178.6° | 179.9° |
| O3 | C5 | C6 | O4 | 175.6° | 0.1° |
| O3 | C5 | C1 | C7 | 21.4° | 88.6° |
| O3 | C5 | C1 | C2 | 90.5° | 27.1° |
| O3 | C5 | C1 | H1 | 146.7° | 149.3° |
| C6 | C5 | C1 | C7 | 160.0° | 91.5° |
| C6 | C5 | C1 | C2 | 88.1° | 152.9° |
| C6 | C5 | C1 | H1 | 34.7° | 30.7° |
| C5 | C6 | O4 | H10 | 177.6° | 179.9° |
| O4 | C6 | C5 | C1 | 5.8° | 180.0° |
| C5 | C1 | C7 | O6 | 38.0° | 21.4° |
| C5 | C1 | C7 | C2 | 116.3° | 118.9° |
| C5 | C1 | C7 | H1 | 125.4° | 122.2° |
| C5 | C1 | C2 | H1 | 122.9° | 122.2° |
| C5 | C1 | C7 | C3 | 86.3° | 97.0° |
| C5 | C1 | C2 | N1 | 80.6° | 120.1° |
| C5 | C1 | C2 | C4 | 160.5° | 120.5° |
| C5 | C1 | C2 | H2 | 37.4° | 0.5° |
| C5 | C1 | C7 | H7 | 159.6° | 144.7° |
| O6 | C7 | C1 | C3 | 124.3° | 118.4° |
| O6 | C7 | C1 | H7 | 121.5° | 123.3° |
| O6 | C7 | C1 | C2 | 154.3° | 140.2° |
| O6 | C7 | C3 | H7 | 118.7° | 123.3° |
| O6 | C7 | C3 | N1 | 138.3° | 155.7° |
| O6 | C7 | C3 | H4 | 102.1° | 85.7° |
| O6 | C7 | C3 | H3 | 18.7° | 37.1° |
| O6 | C7 | C1 | H1 | 87.3° | 100.8° |
| C7 | C1 | C2 | H1 | 118.5° | 118.9° |
| C1 | C7 | C3 | H7 | 114.0° | 118.3° |
| C1 | C7 | C3 | N1 | 10.9° | 37.3° |
| C7 | C1 | C2 | N1 | 38.0° | 1.2° |
| C7 | C1 | C2 | C4 | 80.9° | 120.6° |
| C1 | C7 | C3 | H4 | 130.5° | 155.9° |
| C1 | C7 | C3 | H3 | 108.6° | 81.2° |
| C7 | C1 | C2 | H2 | 156.0° | 118.4° |
| C1 | C7 | O6 | H8 | 41.2° | 180.0° |
| C2 | C1 | C7 | C3 | 30.0° | 21.9° |
| C1 | C2 | N1 | C3 | 32.8° | 25.2° |
| C1 | C2 | N1 | C4 | 120.8° | 119.4° |
| C1 | C2 | N1 | H2 | 117.4° | 119.4° |
| C1 | C2 | C4 | H2 | 123.1° | 121.1° |
| C1 | C2 | C4 | O2 | 61.8° | 99.6° |
| C1 | C2 | C4 | O1 | 119.0° | 80.4° |
| C2 | C1 | C7 | H7 | 84.2° | 96.5° |
| C1 | C2 | N1 | H5 | 152.6° | 95.3° |
| C7 | C3 | N1 | H4 | 119.6° | 118.6° |
| C7 | C3 | N1 | H3 | 119.6° | 118.5° |
| C7 | C3 | N1 | C2 | 13.8° | 39.1° |
| C7 | C3 | H4 | H3 | 121.2° | 123.0° |
| C3 | C7 | C1 | H1 | 148.4° | 140.8° |
| C7 | C3 | N1 | H5 | 133.6° | 81.4° |
| C3 | C7 | O6 | H8 | 80.1° | 66.5° |
| C3 | N1 | C2 | H5 | 119.8° | 120.5° |
| C3 | N1 | C2 | C4 | 88.0° | 144.6° |
| N1 | C3 | H4 | H3 | 121.3° | 123.0° |
| C3 | N1 | C2 | H2 | 150.1° | 94.2° |
| N1 | C3 | C7 | H7 | 103.1° | 81.0° |
| N1 | C2 | C4 | H2 | 122.3° | 121.3° |
| N1 | C2 | C4 | O2 | 176.5° | 18.0° |
| N1 | C2 | C4 | O1 | 4.4° | 162.0° |
| C2 | N1 | C3 | H4 | 105.8° | 157.7° |
| C2 | N1 | C3 | H3 | 133.4° | 79.5° |
| N1 | C2 | C1 | H1 | 156.5° | 117.7° |
| C2 | C4 | O2 | O1 | 179.1° | 180.0° |
| C4 | C2 | C1 | H1 | 37.6° | 1.7° |
| C2 | C4 | O1 | H9 | 179.1° | 180.0° |
| C4 | C2 | N1 | H5 | 31.8° | 24.1° |
| O2 | C4 | C2 | H2 | 61.2° | 139.3° |
| O2 | C4 | O1 | H9 | 0.0° | 0.0° |
| O1 | C4 | C2 | H2 | 117.9° | 40.7° |
| H4 | C3 | C7 | H7 | 16.5° | 37.6° |
| H4 | C3 | N1 | H5 | 14.0° | 37.1° |
| H3 | C3 | C7 | H7 | 137.4° | 160.5° |
| H3 | C3 | N1 | H5 | 106.8° | 160.0° |
| H2 | C2 | C1 | H1 | 85.6° | 122.7° |
| H2 | C2 | N1 | H5 | 90.1° | 145.3° |
| H1 | C1 | C7 | H7 | 34.2° | 22.5° |
| H7 | C7 | O6 | H8 | 162.0° | 56.8° |
