7GW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.40Å | |
| O3 | C4 | sing | 1.43Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O2 | sing | 1.44Å | 1.28Å | |
| C3 | C5 | sing | 1.54Å | 1.67Å | |
| O2 | C2 | sing | 1.44Å | 1.56Å | |
| C2 | C6 | sing | 1.55Å | 1.59Å | |
| C2 | C1 | sing | 1.53Å | 1.39Å | |
| C6 | C5 | sing | 1.55Å | 1.28Å | |
| C6 | O6 | sing | 1.43Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | O3 | 110.9° | 109.4° |
| O4 | C4 | C3 | 108.0° | 109.5° |
| C4 | O4 | H7 | 109.5° | 114.0° |
| O4 | C4 | H12 | 109.9° | 109.4° |
| O3 | C4 | C3 | 109.4° | 109.5° |
| C4 | O3 | H6 | 109.5° | 114.0° |
| O3 | C4 | H12 | 110.0° | 109.5° |
| C4 | C3 | O2 | 111.0° | 109.9° |
| C4 | C3 | C5 | 112.6° | 109.9° |
| C4 | C3 | H5 | 108.7° | 110.0° |
| C3 | C4 | H12 | 108.5° | 109.5° |
| O2 | C3 | C5 | 105.6° | 107.3° |
| C3 | O2 | C2 | 107.2° | 107.0° |
| O2 | C3 | H5 | 112.1° | 109.9° |
| C3 | C5 | C6 | 108.4° | 104.2° |
| C3 | C5 | O5 | 107.4° | 110.5° |
| C5 | C3 | H5 | 106.8° | 109.9° |
| C3 | C5 | H8 | 107.2° | 110.5° |
| O2 | C2 | C6 | 105.8° | 103.5° |
| O2 | C2 | C1 | 107.9° | 110.6° |
| O2 | C2 | H4 | 108.3° | 110.7° |
| C6 | C2 | C1 | 116.0° | 110.6° |
| C2 | C6 | C5 | 105.1° | 102.1° |
| C2 | C6 | O6 | 113.6° | 110.9° |
| C6 | C2 | H4 | 107.9° | 110.6° |
| C2 | C6 | H10 | 106.5° | 111.0° |
| C2 | C1 | O1 | 110.6° | 109.5° |
| C2 | C1 | H2 | 109.2° | 109.5° |
| C2 | C1 | H3 | 109.2° | 109.5° |
| C1 | C2 | H4 | 110.5° | 110.5° |
| C5 | C6 | O6 | 113.5° | 110.9° |
| C6 | C5 | O5 | 111.2° | 110.5° |
| C6 | C5 | H8 | 112.6° | 110.6° |
| C5 | C6 | H10 | 110.6° | 110.9° |
| O6 | C6 | H10 | 107.2° | 110.8° |
| C6 | O6 | H11 | 109.5° | 114.0° |
| O5 | C5 | H8 | 109.8° | 110.4° |
| C5 | O5 | H9 | 109.5° | 114.0° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| O1 | C1 | H2 | 109.2° | 109.4° |
| O1 | C1 | H3 | 109.2° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | O3 | C3 | 119.1° | 120.0° |
| O4 | C4 | O3 | H12 | 121.8° | 119.9° |
| O4 | C4 | C3 | H12 | 119.2° | 120.0° |
| O4 | C4 | C3 | O2 | 52.4° | 177.4° |
| O4 | C4 | C3 | C5 | 170.6° | 64.8° |
| O4 | C4 | C3 | H5 | 71.3° | 56.4° |
| O4 | C4 | O3 | H6 | 180.0° | 60.0° |
| O3 | C4 | C3 | H12 | 120.0° | 120.0° |
| O3 | C4 | C3 | O2 | 173.3° | 62.6° |
| O3 | C4 | C3 | C5 | 68.6° | 55.2° |
| O3 | C4 | C3 | H5 | 49.5° | 176.3° |
| O3 | C4 | O4 | H7 | 180.0° | 54.2° |
| C4 | C3 | O2 | C5 | 122.3° | 119.4° |
| C4 | C3 | O2 | H5 | 121.7° | 121.1° |
| C4 | C3 | C5 | H5 | 119.2° | 121.2° |
| C4 | C3 | O2 | C2 | 98.7° | 92.9° |
| C4 | C3 | C5 | C6 | 90.6° | 117.4° |
| C4 | C3 | C5 | O5 | 149.2° | 123.9° |
| C3 | C4 | O3 | H6 | 60.9° | 180.0° |
| C3 | C4 | O4 | H7 | 60.1° | 65.8° |
| C4 | C3 | C5 | H8 | 31.2° | 1.5° |
| O2 | C3 | C5 | H5 | 119.5° | 119.4° |
| C3 | O2 | C2 | C6 | 13.1° | 40.0° |
| C3 | O2 | C2 | C1 | 137.9° | 158.6° |
| O2 | C3 | C5 | C6 | 30.6° | 2.0° |
| O2 | C3 | C5 | O5 | 89.6° | 116.6° |
| C3 | O2 | C2 | H4 | 102.4° | 78.5° |
| O2 | C3 | C5 | H8 | 152.5° | 120.9° |
| O2 | C3 | C4 | H12 | 66.7° | 57.4° |
| C5 | C3 | O2 | C2 | 23.6° | 26.5° |
| C3 | C5 | C6 | C2 | 20.2° | 20.9° |
| C3 | C5 | C6 | O5 | 117.8° | 118.7° |
| C3 | C5 | C6 | H8 | 118.4° | 118.8° |
| C3 | C5 | C6 | O6 | 145.0° | 97.3° |
| C3 | C5 | O5 | H8 | 116.2° | 122.5° |
| C3 | C5 | O5 | H9 | 180.0° | 179.9° |
| C3 | C5 | C6 | H10 | 94.4° | 139.1° |
| C5 | C3 | C4 | H12 | 51.4° | 175.2° |
| O2 | C2 | C6 | C1 | 119.6° | 118.5° |
| O2 | C2 | C6 | H4 | 115.8° | 118.7° |
| O2 | C2 | C1 | H4 | 118.3° | 123.0° |
| O2 | C2 | C6 | C5 | 7.1° | 37.0° |
| O2 | C2 | C6 | O6 | 131.9° | 81.2° |
| O2 | C2 | C1 | O1 | 151.3° | 70.9° |
| O2 | C2 | C1 | H2 | 31.2° | 169.1° |
| O2 | C2 | C1 | H3 | 88.5° | 49.1° |
| C2 | O2 | C3 | H5 | 139.6° | 145.9° |
| O2 | C2 | C6 | H10 | 110.3° | 155.2° |
| C6 | C2 | C1 | H4 | 123.3° | 122.8° |
| C2 | C6 | C5 | O6 | 124.8° | 118.2° |
| C2 | C6 | C5 | H10 | 114.6° | 118.3° |
| C2 | C6 | O6 | H10 | 117.4° | 123.7° |
| C2 | C6 | C5 | O5 | 97.6° | 139.5° |
| C6 | C2 | C1 | O1 | 90.2° | 175.0° |
| C6 | C2 | C1 | H2 | 149.6° | 55.0° |
| C6 | C2 | C1 | H3 | 30.0° | 65.0° |
| C2 | C6 | C5 | H8 | 138.6° | 97.9° |
| C2 | C6 | O6 | H11 | 180.0° | 61.5° |
| C1 | C2 | C6 | C5 | 112.5° | 155.5° |
| C1 | C2 | C6 | O6 | 12.3° | 37.4° |
| C2 | C1 | O1 | H2 | 120.2° | 120.0° |
| C2 | C1 | O1 | H3 | 120.2° | 120.0° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| C2 | C1 | H2 | H3 | 119.5° | 120.0° |
| C1 | C2 | C6 | H10 | 130.1° | 86.3° |
| C5 | C6 | O6 | H10 | 122.5° | 123.6° |
| C6 | C5 | O5 | H8 | 125.4° | 122.7° |
| C5 | C6 | C2 | H4 | 122.9° | 81.7° |
| C6 | C5 | C3 | H5 | 150.2° | 121.5° |
| C6 | C5 | O5 | H9 | 61.6° | 65.3° |
| C5 | C6 | O6 | H11 | 59.9° | 174.2° |
| O6 | C6 | C5 | O5 | 27.2° | 21.3° |
| O6 | C6 | C2 | H4 | 112.4° | 160.2° |
| O6 | C6 | C5 | H8 | 96.6° | 143.9° |
| O5 | C5 | C3 | H5 | 30.0° | 2.8° |
| O5 | C5 | C6 | H10 | 147.8° | 102.2° |
| O1 | C1 | H2 | H3 | 119.5° | 120.0° |
| O1 | C1 | C2 | H4 | 33.1° | 52.1° |
| H1 | O1 | C1 | H2 | 59.8° | 60.0° |
| H1 | O1 | C1 | H3 | 59.8° | 60.0° |
| H2 | C1 | C2 | H4 | 87.1° | 67.9° |
| H3 | C1 | C2 | H4 | 153.2° | 172.1° |
| H4 | C2 | C6 | H10 | 5.5° | 36.5° |
| H5 | C3 | C5 | H8 | 88.0° | 119.7° |
| H5 | C3 | C4 | H12 | 169.5° | 63.6° |
| H6 | O3 | C4 | H12 | 58.2° | 60.0° |
| H7 | O4 | C4 | H12 | 58.2° | 174.2° |
| H8 | C5 | O5 | H9 | 63.8° | 57.4° |
| H8 | C5 | C6 | H10 | 24.0° | 20.4° |
| H10 | C6 | O6 | H11 | 62.6° | 62.2° |
